Read libraries from system resource. Wattos started at: April 20, 2007 11:55:28 AM CDT Program arguments [1] :[-at] SubMenus:----------------------------------------------------- File Edit View Options Prop - Attr Calc Help - Commands:----------------------------------------------------- - Read libraries from system resource. SubMenus:----------------------------------------------------- File Edit View Options Prop - Attr Calc Help - Commands:----------------------------------------------------- - SubMenus:----------------------------------------------------- File Edit View Options Prop - Attr Calc Help - Commands:----------------------------------------------------- - Enter property name: Enter property value (watch value type) for interactiveSession: Enter property name: Enter property value (watch value type) for verbosity: Enter property name: Enter property value (watch value type) for writeSessionOnExit: Enter property name: Enter property value (watch value type) for stopOnError: Enter url to (gzipped) PDB formatted coordinate file: Doing ReadEntryPDB with arguments: [file:/dumpzone/pdb/nozip/data/structures/all/pdb/pdb2gzk.ent, PDB] Read total number of atoms from PDB formatted coordinate list: 3709 Tolerance (0.1 Angstrom suggested) Doing CalcBond with arguments: [0.1] Done. Checked number of potential pairs: 4326 Found number of new bond candidates: 3822 Hydrogen bond distance between proton and acceptor cutoff (2.7 Angstroms suggested) Hydrogen bond distance between donor and acceptor cutoff (3.35 Angstroms suggested) Hydrogen bond angle (D-H-A) cutoff (90 degrees suggested) Doing CalcHydrogenBond with arguments: [2.7, 3.35, 90.0] Found number of new hydrogen bond candidates: 359 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 4(ARG) 1 O 1(VAL) 1 1 1 109.821 5 N 4(ARG) 1 O 2(GLN) 1 1 1 146.153 5 N 4(ARG) 1 N 3(ASP) 1 1 1 97.145 5 WARNING: Got more than two hydrogen bond for this donor (NH2). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff NH2 20(ARG) 1 OD1 32(ASN) 1 1 1 121.149 5 NH2 20(ARG) 1 N3 15(G ) 2 1 1 116.167 5 NH2 20(ARG) 1 O4* 16(C ) 2 1 1 142.433 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 22(LYS) 1 O 18(ASP) 1 1 1 160.386 5 N 22(LYS) 1 O 19(GLN) 1 1 1 108.389 5 N 22(LYS) 1 N 21(ARG) 1 1 1 97.468 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 24(ALA) 1 O 20(ARG) 1 1 1 146.582 5 N 24(ALA) 1 O 21(ARG) 1 1 1 120.564 5 N 24(ALA) 1 N 23(MET) 1 1 1 99.772 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 25(LEU) 1 O 21(ARG) 1 1 1 141.402 5 N 25(LEU) 1 O 22(LYS) 1 1 1 127.394 5 N 25(LEU) 1 N 24(ALA) 1 1 1 102.610 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 34(GLU) 1 O 31(ARG) 1 1 1 108.712 5 N 34(GLU) 1 N 33(SER) 1 1 1 97.627 5 N 34(GLU) 1 OG 33(SER) 1 1 1 104.710 5 WARNING: Got more than two hydrogen bond for this donor (NE2). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff NE2 38(GLN) 1 SD 23(MET) 1 1 1 102.850 5 NE2 38(GLN) 1 N 39(LEU) 1 1 1 121.418 5 NE2 38(GLN) 1 NE2 42(GLN) 1 1 1 127.092 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 39(LEU) 1 O 35(ILE) 1 1 1 132.171 5 N 39(LEU) 1 O 36(SER) 1 1 1 114.710 5 N 39(LEU) 1 N 38(GLN) 1 1 1 104.943 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 45(MET) 1 O 41(TYR) 1 1 1 133.064 5 N 45(MET) 1 O 42(GLN) 1 1 1 125.094 5 N 45(MET) 1 N 44(LYS) 1 1 1 106.061 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 46(LEU) 1 O 42(GLN) 1 1 1 107.743 5 N 46(LEU) 1 O 43(TRP) 1 1 1 151.229 5 N 46(LEU) 1 N 45(MET) 1 1 1 106.878 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 51(LYS) 1 O 47(THR) 1 1 1 158.195 5 N 51(LYS) 1 O 48(GLU) 1 1 1 105.813 5 N 51(LYS) 1 N 50(GLU) 1 1 1 99.079 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 55(PHE) 1 O 51(LYS) 1 1 1 155.240 5 N 55(PHE) 1 O 52(TRP) 1 1 1 114.009 5 N 55(PHE) 1 N 54(PHE) 1 1 1 98.685 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 56(GLN) 1 O 52(TRP) 1 1 1 144.120 5 N 56(GLN) 1 O 53(PRO) 1 1 1 114.019 5 N 56(GLN) 1 N 55(PHE) 1 1 1 100.104 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 57(GLU) 1 O 53(PRO) 1 1 1 137.074 5 N 57(GLU) 1 O 54(PHE) 1 1 1 132.159 5 N 57(GLU) 1 N 56(GLN) 1 1 1 100.921 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 61(LEU) 1 O 57(GLU) 1 1 1 153.042 5 N 61(LEU) 1 O 58(ALA) 1 1 1 108.551 5 N 61(LEU) 1 N 60(LYS) 1 1 1 99.727 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 82(LYS) 1 O 79(THR) 1 1 1 128.756 5 N 82(LYS) 1 O 80(LYS) 1 1 1 135.953 5 N 82(LYS) 1 N 81(LYS) 1 1 1 99.788 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 98(LEU) 1 O 94(SER) 1 1 1 150.660 5 N 98(LEU) 1 O 95(ALA) 1 1 1 113.847 5 N 98(LEU) 1 N 97(PHE) 1 1 1 99.872 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 99(PHE) 1 O 95(ALA) 1 1 1 160.246 5 N 99(PHE) 1 O 96(PHE) 1 1 1 111.353 5 N 99(PHE) 1 N 98(LEU) 1 1 1 97.270 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 100(CYS) 1 O 96(PHE) 1 1 1 151.065 5 N 100(CYS) 1 O 97(PHE) 1 1 1 107.209 5 N 100(CYS) 1 N 99(PHE) 1 1 1 99.418 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 101(SER) 1 O 97(PHE) 1 1 1 154.126 5 N 101(SER) 1 O 98(LEU) 1 1 1 115.282 5 N 101(SER) 1 N 100(CYS) 1 1 1 97.805 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 102(GLU) 1 O 98(LEU) 1 1 1 156.822 5 N 102(GLU) 1 O 99(PHE) 1 1 1 113.708 5 N 102(GLU) 1 N 101(SER) 1 1 1 98.763 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 103(TYR) 1 O 99(PHE) 1 1 1 156.133 5 N 103(TYR) 1 O 100(CYS) 1 1 1 116.160 5 N 103(TYR) 1 N 102(GLU) 1 1 1 99.025 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 107(ILE) 1 O 103(TYR) 1 1 1 149.854 5 N 107(ILE) 1 O 104(ARG) 1 1 1 123.133 5 N 107(ILE) 1 N 106(LYS) 1 1 1 99.801 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 110(GLU) 1 O 106(LYS) 1 1 1 135.815 5 N 110(GLU) 1 O 107(ILE) 1 1 1 123.947 5 N 110(GLU) 1 N 109(GLY) 1 1 1 98.655 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 123(LEU) 1 O 119(VAL) 1 1 1 155.429 5 N 123(LEU) 1 O 120(ALA) 1 1 1 111.033 5 N 123(LEU) 1 N 122(LYS) 1 1 1 98.629 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 124(GLY) 1 O 120(ALA) 1 1 1 148.802 5 N 124(GLY) 1 O 121(LYS) 1 1 1 114.951 5 N 124(GLY) 1 N 123(LEU) 1 1 1 99.406 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 126(MET) 1 O 122(LYS) 1 1 1 158.862 5 N 126(MET) 1 O 123(LEU) 1 1 1 112.612 5 N 126(MET) 1 N 125(GLU) 1 1 1 101.537 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 127(TRP) 1 O 123(LEU) 1 1 1 129.362 5 N 127(TRP) 1 O 124(GLY) 1 1 1 129.770 5 N 127(TRP) 1 N 126(MET) 1 1 1 104.594 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 130(THR) 1 O 126(MET) 1 1 1 130.388 5 N 130(THR) 1 O 127(TRP) 1 1 1 132.748 5 N 130(THR) 1 N 129(ASN) 1 1 1 103.661 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 135(LYS) 1 O 131(ALA) 1 1 1 150.503 5 N 135(LYS) 1 O 132(ALA) 1 1 1 118.919 5 N 135(LYS) 1 N 134(ASP) 1 1 1 99.768 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 136(GLN) 1 O 132(ALA) 1 1 1 130.775 5 N 136(GLN) 1 O 133(ASP) 1 1 1 128.376 5 N 136(GLN) 1 N 135(LYS) 1 1 1 105.971 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 139(GLU) 1 O 135(LYS) 1 1 1 164.397 5 N 139(GLU) 1 O 136(GLN) 1 1 1 109.581 5 N 139(GLU) 1 N 138(TYR) 1 1 1 97.077 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 141(LYS) 1 O 137(PRO) 1 1 1 146.281 5 N 141(LYS) 1 O 138(TYR) 1 1 1 115.064 5 N 141(LYS) 1 N 140(LYS) 1 1 1 99.540 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 142(ALA) 1 O 138(TYR) 1 1 1 156.437 5 N 142(ALA) 1 O 139(GLU) 1 1 1 111.824 5 N 142(ALA) 1 N 141(LYS) 1 1 1 97.618 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 143(ALA) 1 O 139(GLU) 1 1 1 152.326 5 N 143(ALA) 1 O 140(LYS) 1 1 1 109.359 5 N 143(ALA) 1 N 142(ALA) 1 1 1 99.079 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 144(LYS) 1 O 140(LYS) 1 1 1 149.463 5 N 144(LYS) 1 O 141(LYS) 1 1 1 120.815 5 N 144(LYS) 1 N 143(ALA) 1 1 1 99.700 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 145(LEU) 1 O 141(LYS) 1 1 1 155.090 5 N 145(LEU) 1 O 142(ALA) 1 1 1 111.355 5 N 145(LEU) 1 N 144(LYS) 1 1 1 99.339 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 146(LYS) 1 O 142(ALA) 1 1 1 136.101 5 N 146(LYS) 1 O 143(ALA) 1 1 1 119.060 5 N 146(LYS) 1 N 145(LEU) 1 1 1 102.420 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 147(GLU) 1 O 143(ALA) 1 1 1 145.635 5 N 147(GLU) 1 O 144(LYS) 1 1 1 127.487 5 N 147(GLU) 1 N 146(LYS) 1 1 1 98.168 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 149(TYR) 1 O 145(LEU) 1 1 1 151.928 5 N 149(TYR) 1 O 146(LYS) 1 1 1 106.261 5 N 149(TYR) 1 N 148(LYS) 1 1 1 99.095 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 150(GLU) 1 O 146(LYS) 1 1 1 145.686 5 N 150(GLU) 1 O 147(GLU) 1 1 1 122.693 5 N 150(GLU) 1 N 149(TYR) 1 1 1 99.655 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 152(ASP) 1 O 148(LYS) 1 1 1 149.270 5 N 152(ASP) 1 O 149(TYR) 1 1 1 114.029 5 N 152(ASP) 1 N 151(LYS) 1 1 1 99.386 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 153(ILE) 1 O 149(TYR) 1 1 1 152.365 5 N 153(ILE) 1 O 150(GLU) 1 1 1 113.641 5 N 153(ILE) 1 N 152(ASP) 1 1 1 97.512 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 154(ALA) 1 O 150(GLU) 1 1 1 138.492 5 N 154(ALA) 1 O 151(LYS) 1 1 1 119.339 5 N 154(ALA) 1 N 153(ILE) 1 1 1 103.299 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 155(ALA) 1 O 151(LYS) 1 1 1 144.146 5 N 155(ALA) 1 O 152(ASP) 1 1 1 118.848 5 N 155(ALA) 1 N 154(ALA) 1 1 1 99.647 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 156(TYR) 1 O 152(ASP) 1 1 1 144.247 5 N 156(TYR) 1 O 153(ILE) 1 1 1 113.694 5 N 156(TYR) 1 N 155(ALA) 1 1 1 101.040 5 WARNING: Got more than two hydrogen bond for this donor (N). Hydrogen bonds (3) read: WARNING: Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 157(ARG) 1 O 153(ILE) 1 1 1 146.386 5 N 157(ARG) 1 O 154(ALA) 1 1 1 115.667 5 N 157(ARG) 1 N 156(TYR) 1 1 1 98.929 5 Found number of new hydrogen bonds: 359 Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 2(GLN) 1 N 1(VAL) 1 1 1 2.770 100.388 5 N 3(ASP) 1 N 2(GLN) 1 1 1 2.791 99.048 5 N 4(ARG) 1 O 1(VAL) 1 1 1 3.083 109.821 5 N 4(ARG) 1 O 2(GLN) 1 1 1 2.900 146.153 5 N 4(ARG) 1 N 3(ASP) 1 1 1 2.797 97.145 5 NE 4(ARG) 1 O1P 12(A ) 2 1 1 3.123 123.115 5 NE 4(ARG) 1 O2P 12(A ) 2 1 1 3.044 116.807 5 NH2 4(ARG) 1 O2P 12(A ) 2 1 1 3.084 113.727 5 NE 7(ARG) 1 O4* 12(A ) 2 1 1 2.820 136.163 5 NH1 7(ARG) 1 O4* 8(T ) 3 1 1 3.001 157.768 5 NH2 7(ARG) 1 O2 11(C ) 2 1 1 2.612 152.773 5 NH2 7(ARG) 1 O4* 12(A ) 2 1 1 2.571 147.720 5 ND2 10(ASN) 1 O4* 6(G ) 3 1 1 2.644 157.398 5 N 12(PHE) 1 N 11(ALA) 1 1 1 2.786 102.255 5 N 13(ILE) 1 O 10(ASN) 1 1 1 2.815 125.830 5 N 13(ILE) 1 N 12(PHE) 1 1 1 2.816 97.300 5 N 14(VAL) 1 N 13(ILE) 1 1 1 2.817 98.199 5 N 15(TRP) 1 O 11(ALA) 1 1 1 3.219 173.887 5 N 15(TRP) 1 N 14(VAL) 1 1 1 2.850 95.198 5 N 16(SER) 1 O 12(PHE) 1 1 1 2.751 161.224 5 N 16(SER) 1 N 15(TRP) 1 1 1 2.821 96.953 5 OG 16(SER) 1 O 12(PHE) 1 1 1 2.632 163.209 5 N 17(ARG) 1 O 13(ILE) 1 1 1 2.751 159.699 5 N 17(ARG) 1 N 16(SER) 1 1 1 2.830 98.012 5 NH1 17(ARG) 1 SD 9(MET) 1 1 1 3.082 127.649 5 N 18(ASP) 1 N 17(ARG) 1 1 1 2.894 93.411 5 N 19(GLN) 1 O 15(TRP) 1 1 1 2.803 157.515 5 N 19(GLN) 1 N 18(ASP) 1 1 1 2.769 100.283 5 N 20(ARG) 1 O 16(SER) 1 1 1 2.700 157.472 5 N 20(ARG) 1 N 19(GLN) 1 1 1 2.821 97.653 5 NH2 20(ARG) 1 OD1 32(ASN) 1 1 1 2.808 121.149 5 NH2 20(ARG) 1 N3 15(G ) 2 1 1 3.128 116.167 5 NH2 20(ARG) 1 O4* 16(C ) 2 1 1 2.785 142.433 5 N 21(ARG) 1 N 20(ARG) 1 1 1 2.795 97.322 5 N 22(LYS) 1 O 18(ASP) 1 1 1 3.227 160.386 5 N 22(LYS) 1 O 19(GLN) 1 1 1 3.126 108.389 5 N 22(LYS) 1 N 21(ARG) 1 1 1 2.802 97.468 5 N 23(MET) 1 O 19(GLN) 1 1 1 2.718 160.794 5 N 23(MET) 1 N 22(LYS) 1 1 1 2.788 97.770 5 N 24(ALA) 1 O 20(ARG) 1 1 1 2.877 146.582 5 N 24(ALA) 1 O 21(ARG) 1 1 1 3.189 120.564 5 N 24(ALA) 1 N 23(MET) 1 1 1 2.786 99.772 5 N 25(LEU) 1 O 21(ARG) 1 1 1 3.315 141.402 5 N 25(LEU) 1 O 22(LYS) 1 1 1 2.969 127.394 5 N 25(LEU) 1 N 24(ALA) 1 1 1 2.699 102.610 5 N 26(GLU) 1 O 22(LYS) 1 1 1 2.990 169.193 5 N 26(GLU) 1 N 25(LEU) 1 1 1 2.835 94.440 5 N 27(ASN) 1 O 23(MET) 1 1 1 2.718 157.980 5 N 27(ASN) 1 N 26(GLU) 1 1 1 2.890 95.203 5 N 29(ARG) 1 N 28(PRO) 1 1 1 2.848 97.659 5 N 30(MET) 1 N 29(ARG) 1 1 1 2.727 103.185 5 N 31(ARG) 1 N 30(MET) 1 1 1 2.886 95.858 5 ND2 32(ASN) 1 O2 16(C ) 2 1 1 2.897 122.367 5 N 33(SER) 1 N 32(ASN) 1 1 1 2.849 95.693 5 OG 33(SER) 1 N 34(GLU) 1 1 1 2.854 100.321 5 OG 33(SER) 1 OE1 34(GLU) 1 1 1 2.788 172.998 5 N 34(GLU) 1 O 31(ARG) 1 1 1 2.989 108.712 5 N 34(GLU) 1 N 33(SER) 1 1 1 2.827 97.627 5 N 34(GLU) 1 OG 33(SER) 1 1 1 2.854 104.710 5 N 35(ILE) 1 O 31(ARG) 1 1 1 2.736 175.203 5 N 35(ILE) 1 N 34(GLU) 1 1 1 2.802 97.221 5 N 36(SER) 1 O 32(ASN) 1 1 1 3.117 165.162 5 N 36(SER) 1 N 35(ILE) 1 1 1 2.867 94.606 5 OG 36(SER) 1 O 32(ASN) 1 1 1 2.738 153.918 5 N 37(LYS) 1 O 33(SER) 1 1 1 2.972 147.136 5 N 37(LYS) 1 N 36(SER) 1 1 1 2.802 100.020 5 N 38(GLN) 1 N 37(LYS) 1 1 1 2.903 93.713 5 NE2 38(GLN) 1 SD 23(MET) 1 1 1 3.053 102.850 5 NE2 38(GLN) 1 N 39(LEU) 1 1 1 3.151 121.418 5 NE2 38(GLN) 1 NE2 42(GLN) 1 1 1 3.145 127.092 5 N 39(LEU) 1 O 35(ILE) 1 1 1 3.115 132.171 5 N 39(LEU) 1 O 36(SER) 1 1 1 3.123 114.710 5 N 39(LEU) 1 N 38(GLN) 1 1 1 2.668 104.943 5 N 40(GLY) 1 O 36(SER) 1 1 1 3.005 167.080 5 N 40(GLY) 1 N 39(LEU) 1 1 1 2.851 94.191 5 N 41(TYR) 1 O 38(GLN) 1 1 1 3.157 109.269 5 N 41(TYR) 1 N 40(GLY) 1 1 1 2.732 101.670 5 N 42(GLN) 1 O 38(GLN) 1 1 1 2.864 168.337 5 N 42(GLN) 1 N 41(TYR) 1 1 1 2.881 93.521 5 NE2 42(GLN) 1 OE1 38(GLN) 1 1 1 2.693 143.377 5 NE2 42(GLN) 1 NE2 38(GLN) 1 1 1 3.145 112.788 5 N 43(TRP) 1 O 39(LEU) 1 1 1 3.190 162.107 5 N 43(TRP) 1 N 42(GLN) 1 1 1 2.800 98.591 5 NE1 43(TRP) 1 O1P 6(G ) 3 1 1 2.912 125.145 5 N 44(LYS) 1 O 40(GLY) 1 1 1 3.245 171.366 5 N 44(LYS) 1 N 43(TRP) 1 1 1 2.899 93.658 5 NZ 44(LYS) 1 O1P 5(T ) 3 1 1 2.912 131.914 5 N 45(MET) 1 O 41(TYR) 1 1 1 3.067 133.064 5 N 45(MET) 1 O 42(GLN) 1 1 1 3.094 125.094 5 N 45(MET) 1 N 44(LYS) 1 1 1 2.662 106.061 5 N 46(LEU) 1 O 42(GLN) 1 1 1 2.892 107.743 5 N 46(LEU) 1 O 43(TRP) 1 1 1 3.052 151.229 5 N 46(LEU) 1 N 45(MET) 1 1 1 2.669 106.878 5 N 47(THR) 1 OE1 50(GLU) 1 1 1 2.715 156.374 5 OG1 47(THR) 1 OE1 50(GLU) 1 1 1 2.642 171.318 5 N 49(ALA) 1 N 48(GLU) 1 1 1 2.722 102.549 5 N 50(GLU) 1 O 47(THR) 1 1 1 2.923 141.844 5 N 50(GLU) 1 N 49(ALA) 1 1 1 2.733 102.409 5 N 51(LYS) 1 O 47(THR) 1 1 1 3.213 158.195 5 N 51(LYS) 1 O 48(GLU) 1 1 1 2.953 105.813 5 N 51(LYS) 1 N 50(GLU) 1 1 1 2.787 99.079 5 N 52(TRP) 1 O 48(GLU) 1 1 1 2.808 177.335 5 N 52(TRP) 1 N 51(LYS) 1 1 1 2.872 96.350 5 N 54(PHE) 1 O 51(LYS) 1 1 1 3.106 113.400 5 N 54(PHE) 1 N 53(PRO) 1 1 1 2.763 102.039 5 N 55(PHE) 1 O 51(LYS) 1 1 1 2.670 155.240 5 N 55(PHE) 1 O 52(TRP) 1 1 1 3.126 114.009 5 N 55(PHE) 1 N 54(PHE) 1 1 1 2.772 98.685 5 N 56(GLN) 1 O 52(TRP) 1 1 1 2.963 144.120 5 N 56(GLN) 1 O 53(PRO) 1 1 1 3.134 114.019 5 N 56(GLN) 1 N 55(PHE) 1 1 1 2.745 100.104 5 N 57(GLU) 1 O 53(PRO) 1 1 1 3.222 137.074 5 N 57(GLU) 1 O 54(PHE) 1 1 1 3.079 132.159 5 N 57(GLU) 1 N 56(GLN) 1 1 1 2.776 100.921 5 N 58(ALA) 1 O 55(PHE) 1 1 1 3.098 109.842 5 N 58(ALA) 1 N 57(GLU) 1 1 1 2.789 96.505 5 N 59(GLN) 1 O 55(PHE) 1 1 1 2.783 158.557 5 N 59(GLN) 1 N 58(ALA) 1 1 1 2.812 98.128 5 N 60(LYS) 1 O 56(GLN) 1 1 1 2.832 164.608 5 N 60(LYS) 1 N 59(GLN) 1 1 1 2.832 96.476 5 N 61(LEU) 1 O 57(GLU) 1 1 1 2.951 153.042 5 N 61(LEU) 1 O 58(ALA) 1 1 1 3.141 108.551 5 N 61(LEU) 1 N 60(LYS) 1 1 1 2.753 99.727 5 N 62(GLN) 1 O 58(ALA) 1 1 1 2.898 171.708 5 N 62(GLN) 1 N 61(LEU) 1 1 1 2.896 93.221 5 NE2 62(GLN) 1 O 59(GLN) 1 1 1 2.689 162.662 5 N 63(ALA) 1 O 59(GLN) 1 1 1 2.961 153.122 5 N 63(ALA) 1 N 62(GLN) 1 1 1 2.756 100.978 5 N 64(MET) 1 O 60(LYS) 1 1 1 3.148 171.919 5 N 64(MET) 1 N 63(ALA) 1 1 1 2.873 94.702 5 N 65(HIS) 1 O 61(LEU) 1 1 1 2.923 151.132 5 N 65(HIS) 1 N 64(MET) 1 1 1 2.751 101.002 5 NE2 65(HIS) 1 O 6(LYS) 1 1 1 2.704 142.303 5 N 66(ARG) 1 O 62(GLN) 1 1 1 2.815 166.037 5 N 66(ARG) 1 N 65(HIS) 1 1 1 2.849 96.570 5 N 67(GLU) 1 N 66(ARG) 1 1 1 2.764 99.724 5 N 68(LYS) 1 O 64(MET) 1 1 1 2.886 143.684 5 N 68(LYS) 1 N 67(GLU) 1 1 1 2.734 101.122 5 N 69(TYR) 1 O 65(HIS) 1 1 1 3.292 169.023 5 N 69(TYR) 1 N 68(LYS) 1 1 1 2.858 95.760 5 N 71(ASN) 1 N 70(PRO) 1 1 1 2.862 97.939 5 N 71(ASN) 1 N 72(TYR) 1 1 1 2.887 91.535 5 N 72(TYR) 1 N 71(ASN) 1 1 1 2.887 94.512 5 OH 72(TYR) 1 O 3(ASP) 1 1 1 2.688 157.296 5 NZ 73(LYS) 1 O 69(TYR) 1 1 1 3.147 136.838 5 OH 74(TYR) 1 O3* 11(C ) 2 1 1 3.292 152.230 5 NZ 76(LYS) 1 OE2 78(GLU) 1 1 1 2.554 167.384 5 NZ 76(LYS) 1 O4* 10(A ) 2 1 1 2.914 116.930 5 N 77(GLY) 1 O 75(ARG) 1 1 1 2.830 104.884 5 N 78(GLU) 1 O 76(LYS) 1 1 1 2.652 148.755 5 N 78(GLU) 1 N 77(GLY) 1 1 1 2.907 92.524 5 N 80(LYS) 1 OG1 79(THR) 1 1 1 2.674 128.423 5 N 81(LYS) 1 N 80(LYS) 1 1 1 2.816 97.185 5 NZ 81(LYS) 1 OE1 78(GLU) 1 1 1 2.561 154.106 5 N 82(LYS) 1 O 79(THR) 1 1 1 3.038 128.756 5 N 82(LYS) 1 O 80(LYS) 1 1 1 3.102 135.953 5 N 82(LYS) 1 N 81(LYS) 1 1 1 2.790 99.788 5 N 83(PHE) 1 N 82(LYS) 1 1 1 2.730 101.089 5 N 87(ASN) 1 N 86(PRO) 1 1 1 2.801 100.551 5 N 88(ALA) 1 N 87(ASN) 1 1 1 2.827 96.677 5 N 91(ARG) 1 O1P 13(T ) 3 1 1 2.699 173.943 5 NH1 91(ARG) 1 O2 6(C ) 2 1 1 2.557 157.389 5 NH1 91(ARG) 1 O4* 7(T ) 2 1 1 2.850 142.038 5 NH2 91(ARG) 1 N3 12(A ) 3 1 1 2.742 132.429 5 NH2 91(ARG) 1 O4* 13(T ) 3 1 1 2.749 157.635 5 N 96(PHE) 1 N 95(ALA) 1 1 1 2.781 98.483 5 N 97(PHE) 1 O 94(SER) 1 1 1 2.995 106.279 5 N 97(PHE) 1 N 96(PHE) 1 1 1 2.832 96.090 5 N 98(LEU) 1 O 94(SER) 1 1 1 2.730 150.660 5 N 98(LEU) 1 O 95(ALA) 1 1 1 3.104 113.847 5 N 98(LEU) 1 N 97(PHE) 1 1 1 2.789 99.872 5 N 99(PHE) 1 O 95(ALA) 1 1 1 2.888 160.246 5 N 99(PHE) 1 O 96(PHE) 1 1 1 3.097 111.353 5 N 99(PHE) 1 N 98(LEU) 1 1 1 2.805 97.270 5 N 100(CYS) 1 O 96(PHE) 1 1 1 2.752 151.065 5 N 100(CYS) 1 O 97(PHE) 1 1 1 3.053 107.209 5 N 100(CYS) 1 N 99(PHE) 1 1 1 2.758 99.418 5 N 101(SER) 1 O 97(PHE) 1 1 1 2.764 154.126 5 N 101(SER) 1 O 98(LEU) 1 1 1 3.158 115.282 5 N 101(SER) 1 N 100(CYS) 1 1 1 2.810 97.805 5 N 102(GLU) 1 O 98(LEU) 1 1 1 3.113 156.822 5 N 102(GLU) 1 O 99(PHE) 1 1 1 3.130 113.708 5 N 102(GLU) 1 N 101(SER) 1 1 1 2.809 98.763 5 N 103(TYR) 1 O 99(PHE) 1 1 1 2.981 156.133 5 N 103(TYR) 1 O 100(CYS) 1 1 1 3.191 116.160 5 N 103(TYR) 1 N 102(GLU) 1 1 1 2.811 99.025 5 N 104(ARG) 1 O 100(CYS) 1 1 1 2.701 131.634 5 N 104(ARG) 1 N 103(TYR) 1 1 1 2.716 105.126 5 N 106(LYS) 1 O 103(TYR) 1 1 1 2.775 120.501 5 N 106(LYS) 1 N 105(PRO) 1 1 1 2.746 104.323 5 N 107(ILE) 1 O 103(TYR) 1 1 1 2.766 149.854 5 N 107(ILE) 1 O 104(ARG) 1 1 1 3.208 123.133 5 N 107(ILE) 1 N 106(LYS) 1 1 1 2.774 99.801 5 N 108(LYS) 1 N 107(ILE) 1 1 1 2.797 98.178 5 N 109(GLY) 1 O 106(LYS) 1 1 1 2.967 119.923 5 N 109(GLY) 1 N 108(LYS) 1 1 1 2.623 105.655 5 N 110(GLU) 1 O 106(LYS) 1 1 1 2.967 135.815 5 N 110(GLU) 1 O 107(ILE) 1 1 1 2.950 123.947 5 N 110(GLU) 1 N 109(GLY) 1 1 1 2.784 98.655 5 N 111(HIS) 1 O 107(ILE) 1 1 1 3.111 165.804 5 N 111(HIS) 1 N 110(GLU) 1 1 1 2.817 97.068 5 N 113(GLY) 1 O 111(HIS) 1 1 1 2.794 149.835 5 N 113(GLY) 1 N 112(PRO) 1 1 1 2.881 96.041 5 N 114(LEU) 1 N 113(GLY) 1 1 1 2.779 98.662 5 N 117(GLY) 1 N 116(ILE) 1 1 1 2.764 99.899 5 N 118(ASP) 1 O 115(SER) 1 1 1 2.773 129.383 5 N 118(ASP) 1 N 117(GLY) 1 1 1 2.780 101.934 5 N 119(VAL) 1 O 115(SER) 1 1 1 3.196 135.588 5 N 119(VAL) 1 N 118(ASP) 1 1 1 2.710 103.597 5 N 120(ALA) 1 N 119(VAL) 1 1 1 2.674 104.532 5 N 121(LYS) 1 O 118(ASP) 1 1 1 3.004 137.261 5 N 121(LYS) 1 N 120(ALA) 1 1 1 2.753 101.444 5 NZ 121(LYS) 1 OD1 118(ASP) 1 1 1 2.682 175.825 5 N 122(LYS) 1 O 119(VAL) 1 1 1 3.086 122.493 5 N 122(LYS) 1 N 121(LYS) 1 1 1 2.776 99.172 5 NZ 122(LYS) 1 OE1 110(GLU) 1 1 1 2.995 104.534 5 NZ 122(LYS) 1 OE2 110(GLU) 1 1 1 2.969 146.544 5 N 123(LEU) 1 O 119(VAL) 1 1 1 3.198 155.429 5 N 123(LEU) 1 O 120(ALA) 1 1 1 3.043 111.033 5 N 123(LEU) 1 N 122(LYS) 1 1 1 2.783 98.629 5 N 124(GLY) 1 O 120(ALA) 1 1 1 2.895 148.802 5 N 124(GLY) 1 O 121(LYS) 1 1 1 3.081 114.951 5 N 124(GLY) 1 N 123(LEU) 1 1 1 2.757 99.406 5 N 125(GLU) 1 O 122(LYS) 1 1 1 3.272 126.688 5 N 125(GLU) 1 N 124(GLY) 1 1 1 2.904 96.021 5 N 126(MET) 1 O 122(LYS) 1 1 1 3.255 158.862 5 N 126(MET) 1 O 123(LEU) 1 1 1 3.099 112.612 5 N 126(MET) 1 N 125(GLU) 1 1 1 2.757 101.537 5 N 127(TRP) 1 O 123(LEU) 1 1 1 2.670 129.362 5 N 127(TRP) 1 O 124(GLY) 1 1 1 3.291 129.770 5 N 127(TRP) 1 N 126(MET) 1 1 1 2.676 104.594 5 N 128(ASN) 1 O 125(GLU) 1 1 1 3.271 131.410 5 N 128(ASN) 1 N 127(TRP) 1 1 1 2.750 99.699 5 N 129(ASN) 1 O 126(MET) 1 1 1 3.083 113.539 5 N 129(ASN) 1 N 128(ASN) 1 1 1 2.728 101.363 5 N 130(THR) 1 O 126(MET) 1 1 1 2.823 130.388 5 N 130(THR) 1 O 127(TRP) 1 1 1 3.311 132.748 5 N 130(THR) 1 N 129(ASN) 1 1 1 2.728 103.661 5 OG1 130(THR) 1 O 126(MET) 1 1 1 2.672 168.610 5 N 133(ASP) 1 N 132(ALA) 1 1 1 2.845 96.036 5 N 134(ASP) 1 O 131(ALA) 1 1 1 3.080 112.163 5 N 134(ASP) 1 N 133(ASP) 1 1 1 2.786 99.104 5 N 135(LYS) 1 O 131(ALA) 1 1 1 2.906 150.503 5 N 135(LYS) 1 O 132(ALA) 1 1 1 3.192 118.919 5 N 135(LYS) 1 N 134(ASP) 1 1 1 2.806 99.768 5 NZ 135(LYS) 1 OE2 139(GLU) 1 1 1 2.656 143.735 5 N 136(GLN) 1 O 132(ALA) 1 1 1 2.795 130.775 5 N 136(GLN) 1 O 133(ASP) 1 1 1 3.303 128.376 5 N 136(GLN) 1 N 135(LYS) 1 1 1 2.683 105.971 5 N 138(TYR) 1 O 135(LYS) 1 1 1 3.148 127.459 5 N 138(TYR) 1 N 137(PRO) 1 1 1 2.818 100.712 5 N 139(GLU) 1 O 135(LYS) 1 1 1 3.328 164.397 5 N 139(GLU) 1 O 136(GLN) 1 1 1 3.000 109.581 5 N 139(GLU) 1 N 138(TYR) 1 1 1 2.787 97.077 5 N 140(LYS) 1 O 136(GLN) 1 1 1 2.835 168.316 5 N 140(LYS) 1 N 139(GLU) 1 1 1 2.794 96.635 5 N 141(LYS) 1 O 137(PRO) 1 1 1 2.895 146.281 5 N 141(LYS) 1 O 138(TYR) 1 1 1 3.109 115.064 5 N 141(LYS) 1 N 140(LYS) 1 1 1 2.782 99.540 5 N 142(ALA) 1 O 138(TYR) 1 1 1 2.996 156.437 5 N 142(ALA) 1 O 139(GLU) 1 1 1 3.063 111.824 5 N 142(ALA) 1 N 141(LYS) 1 1 1 2.794 97.618 5 N 143(ALA) 1 O 139(GLU) 1 1 1 2.793 152.326 5 N 143(ALA) 1 O 140(LYS) 1 1 1 3.040 109.359 5 N 143(ALA) 1 N 142(ALA) 1 1 1 2.788 99.079 5 N 144(LYS) 1 O 140(LYS) 1 1 1 2.883 149.463 5 N 144(LYS) 1 O 141(LYS) 1 1 1 3.188 120.815 5 N 144(LYS) 1 N 143(ALA) 1 1 1 2.783 99.700 5 N 145(LEU) 1 O 141(LYS) 1 1 1 3.040 155.090 5 N 145(LEU) 1 O 142(ALA) 1 1 1 3.083 111.355 5 N 145(LEU) 1 N 144(LYS) 1 1 1 2.763 99.339 5 N 146(LYS) 1 O 142(ALA) 1 1 1 2.679 136.101 5 N 146(LYS) 1 O 143(ALA) 1 1 1 3.157 119.060 5 N 146(LYS) 1 N 145(LEU) 1 1 1 2.700 102.420 5 NZ 146(LYS) 1 OE1 150(GLU) 1 1 1 2.726 161.178 5 NZ 146(LYS) 1 O1P 8(A ) 2 1 1 3.058 131.142 5 N 147(GLU) 1 O 143(ALA) 1 1 1 3.302 145.635 5 N 147(GLU) 1 O 144(LYS) 1 1 1 3.245 127.487 5 N 147(GLU) 1 N 146(LYS) 1 1 1 2.792 98.168 5 N 148(LYS) 1 O 145(LEU) 1 1 1 3.051 113.212 5 N 148(LYS) 1 N 147(GLU) 1 1 1 2.765 99.388 5 N 149(TYR) 1 O 145(LEU) 1 1 1 2.714 151.928 5 N 149(TYR) 1 O 146(LYS) 1 1 1 2.978 106.261 5 N 149(TYR) 1 N 148(LYS) 1 1 1 2.768 99.095 5 N 150(GLU) 1 O 146(LYS) 1 1 1 2.792 145.686 5 N 150(GLU) 1 O 147(GLU) 1 1 1 3.220 122.693 5 N 150(GLU) 1 N 149(TYR) 1 1 1 2.783 99.655 5 N 151(LYS) 1 O 148(LYS) 1 1 1 3.066 124.958 5 N 151(LYS) 1 N 150(GLU) 1 1 1 2.732 100.623 5 N 152(ASP) 1 O 148(LYS) 1 1 1 3.230 149.270 5 N 152(ASP) 1 O 149(TYR) 1 1 1 2.931 114.029 5 N 152(ASP) 1 N 151(LYS) 1 1 1 2.758 99.386 5 N 153(ILE) 1 O 149(TYR) 1 1 1 2.865 152.365 5 N 153(ILE) 1 O 150(GLU) 1 1 1 3.182 113.641 5 N 153(ILE) 1 N 152(ASP) 1 1 1 2.837 97.512 5 N 154(ALA) 1 O 150(GLU) 1 1 1 2.748 138.492 5 N 154(ALA) 1 O 151(LYS) 1 1 1 3.178 119.339 5 N 154(ALA) 1 N 153(ILE) 1 1 1 2.688 103.299 5 N 155(ALA) 1 O 151(LYS) 1 1 1 2.903 144.146 5 N 155(ALA) 1 O 152(ASP) 1 1 1 3.156 118.848 5 N 155(ALA) 1 N 154(ALA) 1 1 1 2.748 99.647 5 N 156(TYR) 1 O 152(ASP) 1 1 1 3.016 144.247 5 N 156(TYR) 1 O 153(ILE) 1 1 1 3.054 113.694 5 N 156(TYR) 1 N 155(ALA) 1 1 1 2.716 101.040 5 OH 156(TYR) 1 OD1 85(ASP) 1 1 1 2.686 167.248 5 OH 156(TYR) 1 OD2 85(ASP) 1 1 1 3.189 131.688 5 N 157(ARG) 1 O 153(ILE) 1 1 1 2.875 146.386 5 N 157(ARG) 1 O 154(ALA) 1 1 1 3.070 115.667 5 N 157(ARG) 1 N 156(TYR) 1 1 1 2.770 98.929 5 NH1 157(ARG) 1 O1P 9(A ) 2 1 1 2.841 130.021 5 N 158(ALA) 1 O 154(ALA) 1 1 1 2.893 152.012 5 N 158(ALA) 1 N 157(ARG) 1 1 1 2.778 99.808 5 N1 1(G ) 2 O2 16(C ) 3 1 1 3.055 136.491 5 N1 1(G ) 2 N3 16(C ) 3 1 1 2.865 153.581 5 N2 1(G ) 2 O2 16(C ) 3 1 1 2.651 156.449 5 N1 2(G ) 2 O2 15(C ) 3 1 1 3.189 135.069 5 N1 2(G ) 2 N3 15(C ) 3 1 1 2.903 162.750 5 N2 2(G ) 2 O2 15(C ) 3 1 1 2.639 167.407 5 N1 3(G ) 2 N3 14(C ) 3 1 1 2.889 163.248 5 N2 3(G ) 2 O2 14(C ) 3 1 1 2.823 167.731 5 N6 4(A ) 2 O4 13(T ) 3 1 1 3.008 170.861 5 N3 5(T ) 2 N1 12(A ) 3 1 1 2.704 171.754 5 N4 6(C ) 2 O6 11(G ) 3 1 1 3.068 170.591 5 N3 7(T ) 2 N1 10(A ) 3 1 1 2.852 158.355 5 N6 8(A ) 2 O4 9(T ) 3 1 1 2.730 174.696 5 N6 9(A ) 2 O4 8(T ) 3 1 1 2.735 175.387 5 N6 10(A ) 2 O4 7(T ) 3 1 1 2.718 168.886 5 N4 11(C ) 2 O6 6(G ) 3 1 1 3.087 158.717 5 N6 12(A ) 2 O4 5(T ) 3 1 1 2.920 174.036 5 N6 13(A ) 2 O4 4(T ) 3 1 1 2.738 175.744 5 N3 14(T ) 2 N1 3(A ) 3 1 1 2.955 148.296 5 N1 15(G ) 2 N3 2(C ) 3 1 1 2.852 174.666 5 N2 15(G ) 2 OD1 32(ASN) 1 1 1 2.743 112.524 5 N2 15(G ) 2 O2 2(C ) 3 1 1 2.642 166.089 5 N4 16(C ) 2 O6 1(G ) 3 1 1 2.927 155.514 5 N1 1(G ) 3 O2 16(C ) 2 1 1 3.101 136.770 5 N1 1(G ) 3 N3 16(C ) 2 1 1 2.839 157.774 5 N2 1(G ) 3 ND2 32(ASN) 1 1 1 3.148 114.666 5 N2 1(G ) 3 O2 16(C ) 2 1 1 2.648 162.413 5 N4 2(C ) 3 O6 15(G ) 2 1 1 2.939 178.130 5 N6 3(A ) 3 O4 14(T ) 2 1 1 2.712 148.137 5 N3 4(T ) 3 N1 13(A ) 2 1 1 3.040 170.061 5 N3 5(T ) 3 N1 12(A ) 2 1 1 2.639 165.807 5 N1 6(G ) 3 O2 11(C ) 2 1 1 3.229 136.283 5 N1 6(G ) 3 N3 11(C ) 2 1 1 2.920 162.399 5 N2 6(G ) 3 NH2 7(ARG) 1 1 1 3.215 123.029 5 N2 6(G ) 3 O2 11(C ) 2 1 1 2.731 162.043 5 N3 7(T ) 3 N1 10(A ) 2 1 1 3.020 162.748 5 N3 8(T ) 3 N1 9(A ) 2 1 1 2.752 175.558 5 N3 9(T ) 3 N1 8(A ) 2 1 1 2.904 175.142 5 N6 10(A ) 3 O4 7(T ) 2 1 1 2.719 158.363 5 N1 11(G ) 3 N3 6(C ) 2 1 1 2.961 171.964 5 N2 11(G ) 3 O2 6(C ) 2 1 1 2.740 170.516 5 N2 11(G ) 3 O4* 12(A ) 3 1 1 3.135 121.001 5 N6 12(A ) 3 O4 5(T ) 2 1 1 2.808 162.258 5 N3 13(T ) 3 N1 4(A ) 2 1 1 2.666 161.618 5 N4 14(C ) 3 O6 3(G ) 2 1 1 2.852 155.045 5 N4 15(C ) 3 O6 2(G ) 2 1 1 3.069 157.823 5 N4 16(C ) 3 O6 1(G ) 2 1 1 2.993 152.927 5 Angle cutoff (40.0 degrees suggested) Use only Watson Crick basepairing (false suggested) (y/n): Enter cvs file name (with path) for output of CalcCoPlanarBasesSet.: Doing CalcCoPlanarBasesSet with arguments: [45.0, true, 2gzk_wc.csv] Trying to match bases to eachother for number of bases: 32 Considering number of hydrogen bonds: 359 Results contains number of sets of co-planar bases: 16 Results: Residue: 1( G) Mol: 2 Model: 1 Entry: 1 Residue: 16( C) Mol: 3 Model: 1 Entry: 1 Residue: 2( G) Mol: 2 Model: 1 Entry: 1 Residue: 15( C) Mol: 3 Model: 1 Entry: 1 Residue: 3( G) Mol: 2 Model: 1 Entry: 1 Residue: 14( C) Mol: 3 Model: 1 Entry: 1 Residue: 4( A) Mol: 2 Model: 1 Entry: 1 Residue: 13( T) Mol: 3 Model: 1 Entry: 1 Residue: 5( T) Mol: 2 Model: 1 Entry: 1 Residue: 12( A) Mol: 3 Model: 1 Entry: 1 Residue: 6( C) Mol: 2 Model: 1 Entry: 1 Residue: 11( G) Mol: 3 Model: 1 Entry: 1 Residue: 7( T) Mol: 2 Model: 1 Entry: 1 Residue: 10( A) Mol: 3 Model: 1 Entry: 1 Residue: 8( A) Mol: 2 Model: 1 Entry: 1 Residue: 9( T) Mol: 3 Model: 1 Entry: 1 Residue: 9( A) Mol: 2 Model: 1 Entry: 1 Residue: 8( T) Mol: 3 Model: 1 Entry: 1 Residue: 10( A) Mol: 2 Model: 1 Entry: 1 Residue: 7( T) Mol: 3 Model: 1 Entry: 1 Residue: 11( C) Mol: 2 Model: 1 Entry: 1 Residue: 6( G) Mol: 3 Model: 1 Entry: 1 Residue: 12( A) Mol: 2 Model: 1 Entry: 1 Residue: 5( T) Mol: 3 Model: 1 Entry: 1 Residue: 13( A) Mol: 2 Model: 1 Entry: 1 Residue: 4( T) Mol: 3 Model: 1 Entry: 1 Residue: 14( T) Mol: 2 Model: 1 Entry: 1 Residue: 3( A) Mol: 3 Model: 1 Entry: 1 Residue: 15( G) Mol: 2 Model: 1 Entry: 1 Residue: 2( C) Mol: 3 Model: 1 Entry: 1 Residue: 16( C) Mol: 2 Model: 1 Entry: 1 Residue: 1( G) Mol: 3 Model: 1 Entry: 1 Writing results to file: 2gzk_wc.csv Wattos started at: April 20, 2007 11:55:28 AM CDT Wattos stopped at: April 20, 2007 11:55:33 AM CDT Wattos took (#ms): 5018