Read libraries from system resource. Wattos started at: April 20, 2007 11:46:17 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/pdb1ck2.ent, PDB] Read total number of atoms from PDB formatted coordinate list: 1648 Tolerance (0.1 Angstrom suggested) Doing CalcBond with arguments: [0.1] Done. Checked number of potential pairs: 1809 Found number of new bond candidates: 1657 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: 201 WARNING: Got more than two hydrogen bond for this donor (NZ). 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 NZ 4(LYS) 1 OG 5(SER) 1 1 1 160.418 5 NZ 4(LYS) 1 OE1 7(GLU) 1 1 1 170.429 5 NZ 4(LYS) 1 OE2 7(GLU) 1 1 1 123.092 5 WARNING: Got more than two hydrogen bond for this donor (NZ). 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 NZ 12(LYS) 1 OG 97(SER) 1 1 1 149.036 5 NZ 12(LYS) 1 OD1 98(ASP) 1 1 1 127.224 5 NZ 12(LYS) 1 OD2 98(ASP) 1 1 1 158.005 5 WARNING: Got more than two hydrogen bond for this donor (NZ). 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 NZ 18(LYS) 1 O 15(LEU) 1 1 1 142.437 5 NZ 18(LYS) 1 OD1 96(ASP) 1 1 1 125.775 5 NZ 18(LYS) 1 OD2 96(ASP) 1 1 1 148.385 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 19(SER) 1 O 16(VAL) 1 1 1 168.142 5 N 19(SER) 1 N 18(LYS) 1 1 1 100.264 5 N 19(SER) 1 N 20(GLY) 1 1 1 95.843 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 32(SER) 1 O 28(SER) 1 1 1 154.803 5 N 32(SER) 1 O 29(THR) 1 1 1 108.141 5 N 32(SER) 1 N 31(LYS) 1 1 1 98.953 5 WARNING: Got more than two hydrogen bond for this donor (NZ). 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 NZ 52(LYS) 1 OE1 56(GLU) 1 1 1 147.114 5 NZ 52(LYS) 1 OE2 56(GLU) 1 1 1 110.650 5 NZ 52(LYS) 1 OH 68(TYR) 1 1 1 139.159 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(LEU) 1 O 51(ARG) 1 1 1 168.385 5 N 55(LEU) 1 O 52(LYS) 1 1 1 105.469 5 N 55(LEU) 1 N 54(GLU) 1 1 1 94.566 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(TYR) 1 O 53(SER) 1 1 1 148.821 5 N 57(TYR) 1 O 54(GLU) 1 1 1 109.834 5 N 57(TYR) 1 N 56(GLU) 1 1 1 94.834 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 60(MET) 1 O 56(GLU) 1 1 1 123.700 5 N 60(MET) 1 O 57(TYR) 1 1 1 129.973 5 N 60(MET) 1 N 59(ALA) 1 1 1 102.905 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 74(ASN) 1 N 75(GLU) 1 1 1 94.500 5 N 74(ASN) 1 OE1 75(GLU) 1 1 1 139.837 5 N 74(ASN) 1 OE2 75(GLU) 1 1 1 152.391 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(THR) 1 O 98(ASP) 1 1 1 141.071 5 N 102(THR) 1 O 99(ILE) 1 1 1 130.628 5 N 102(THR) 1 N 101(THR) 1 1 1 102.137 5 Found number of new hydrogen bonds: 201 Atom Res#(Nam) Mol# Atom Res#(Nam) Mol# Model# Entry# Value_1 Value_2 RefValue RefSD Type Minimum Average Maximum Under cutoff N 1(ALA) 1 O 68(TYR) 1 1 1 2.777 149.093 5 N 4(LYS) 1 N 3(VAL) 1 1 1 3.006 97.714 5 NZ 4(LYS) 1 OG 5(SER) 1 1 1 2.934 160.418 5 NZ 4(LYS) 1 OE1 7(GLU) 1 1 1 2.847 170.429 5 NZ 4(LYS) 1 OE2 7(GLU) 1 1 1 2.785 123.092 5 N 5(SER) 1 O 2(PRO) 1 1 1 2.822 157.437 5 N 5(SER) 1 N 4(LYS) 1 1 1 2.850 105.890 5 N 6(GLN) 1 O 4(LYS) 1 1 1 3.339 125.854 5 N 6(GLN) 1 N 5(SER) 1 1 1 2.863 107.193 5 N 7(GLU) 1 N 6(GLN) 1 1 1 2.801 102.151 5 N 8(SER) 1 N 7(GLU) 1 1 1 2.804 101.910 5 N 8(SER) 1 OE1 7(GLU) 1 1 1 2.846 143.594 5 OG 8(SER) 1 OE2 7(GLU) 1 1 1 2.384 174.208 5 N 9(ILE) 1 O 5(SER) 1 1 1 3.145 176.345 5 N 9(ILE) 1 N 8(SER) 1 1 1 2.889 93.523 5 N 10(ASN) 1 N 9(ILE) 1 1 1 2.883 96.951 5 ND2 10(ASN) 1 O 6(GLN) 1 1 1 2.855 168.383 5 ND2 10(ASN) 1 O 75(GLU) 1 1 1 2.834 168.489 5 N 11(GLN) 1 O 7(GLU) 1 1 1 2.811 174.223 5 N 12(LYS) 1 O 8(SER) 1 1 1 2.881 166.149 5 N 12(LYS) 1 N 11(GLN) 1 1 1 2.913 94.181 5 NZ 12(LYS) 1 OG 97(SER) 1 1 1 2.831 149.036 5 NZ 12(LYS) 1 OD1 98(ASP) 1 1 1 2.878 127.224 5 NZ 12(LYS) 1 OD2 98(ASP) 1 1 1 2.696 158.005 5 N 13(LEU) 1 O 9(ILE) 1 1 1 2.838 158.609 5 N 13(LEU) 1 N 12(LYS) 1 1 1 2.866 95.687 5 N 14(ALA) 1 O 10(ASN) 1 1 1 2.917 168.053 5 N 14(ALA) 1 N 13(LEU) 1 1 1 2.901 93.952 5 N 15(LEU) 1 O 11(GLN) 1 1 1 2.831 166.129 5 N 15(LEU) 1 N 14(ALA) 1 1 1 2.870 95.461 5 N 16(VAL) 1 O 12(LYS) 1 1 1 2.895 153.457 5 N 16(VAL) 1 N 15(LEU) 1 1 1 2.859 94.178 5 N 17(ILE) 1 O 13(LEU) 1 1 1 2.809 171.630 5 N 18(LYS) 1 O 14(ALA) 1 1 1 3.031 147.067 5 N 18(LYS) 1 N 17(ILE) 1 1 1 2.812 102.967 5 NZ 18(LYS) 1 O 15(LEU) 1 1 1 2.721 142.437 5 NZ 18(LYS) 1 OD1 96(ASP) 1 1 1 2.634 125.775 5 NZ 18(LYS) 1 OD2 96(ASP) 1 1 1 2.667 148.385 5 N 19(SER) 1 O 16(VAL) 1 1 1 2.935 168.142 5 N 19(SER) 1 N 18(LYS) 1 1 1 2.878 100.264 5 N 19(SER) 1 N 20(GLY) 1 1 1 2.876 95.843 5 OG 19(SER) 1 OD2 96(ASP) 1 1 1 2.419 171.744 5 N 20(GLY) 1 O 16(VAL) 1 1 1 2.773 169.225 5 N 20(GLY) 1 N 19(SER) 1 1 1 2.876 104.299 5 N 21(LYS) 1 O 93(GLU) 1 1 1 2.821 160.983 5 NZ 21(LYS) 1 OE1 93(GLU) 1 1 1 2.634 156.685 5 N 23(THR) 1 O 90(SER) 1 1 1 2.835 145.075 5 OG1 23(THR) 1 O 28(SER) 1 1 1 3.236 125.144 5 OG1 23(THR) 1 OG 32(SER) 1 1 1 3.163 165.369 5 N 25(GLY) 1 O 88(VAL) 1 1 1 2.938 174.753 5 OH 26(TYR) 1 OE1 54(GLU) 1 1 1 2.393 168.711 5 N 28(SER) 1 O 25(GLY) 1 1 1 3.064 110.443 5 N 28(SER) 1 N 27(LYS) 1 1 1 2.855 97.623 5 OG 28(SER) 1 O 24(LEU) 1 1 1 2.532 162.702 5 N 29(THR) 1 O 25(GLY) 1 1 1 2.926 168.942 5 N 29(THR) 1 N 28(SER) 1 1 1 2.924 93.568 5 OG1 29(THR) 1 OG 90(SER) 1 1 1 2.615 175.268 5 N 30(VAL) 1 O 26(TYR) 1 1 1 2.849 166.235 5 N 31(LYS) 1 O 27(LYS) 1 1 1 2.882 170.629 5 NZ 31(LYS) 1 OG 32(SER) 1 1 1 2.829 151.495 5 NZ 31(LYS) 1 OE1 35(GLN) 1 1 1 2.706 149.301 5 N 32(SER) 1 O 28(SER) 1 1 1 3.048 154.803 5 N 32(SER) 1 O 29(THR) 1 1 1 2.798 108.141 5 N 32(SER) 1 N 31(LYS) 1 1 1 2.963 98.953 5 OG 32(SER) 1 O 28(SER) 1 1 1 2.487 175.652 5 N 33(LEU) 1 O 29(THR) 1 1 1 2.748 160.614 5 N 33(LEU) 1 N 32(SER) 1 1 1 2.851 99.914 5 N 34(ARG) 1 O 30(VAL) 1 1 1 2.910 161.885 5 N 34(ARG) 1 N 33(LEU) 1 1 1 2.852 95.681 5 NH1 34(ARG) 1 OH 58(TYR) 1 1 1 2.830 152.995 5 N 35(GLN) 1 O 31(LYS) 1 1 1 2.926 143.799 5 N 35(GLN) 1 N 34(ARG) 1 1 1 2.793 100.364 5 N 36(GLY) 1 O 33(LEU) 1 1 1 2.833 150.810 5 N 36(GLY) 1 N 35(GLN) 1 1 1 2.791 105.470 5 N 37(LYS) 1 O 35(GLN) 1 1 1 2.876 149.383 5 N 37(LYS) 1 N 36(GLY) 1 1 1 2.960 100.280 5 NZ 37(LYS) 1 O 92(LEU) 1 1 1 2.744 140.986 5 NZ 37(LYS) 1 OE2 93(GLU) 1 1 1 2.622 153.105 5 N 38(SER) 1 O 36(GLY) 1 1 1 3.052 122.909 5 N 38(SER) 1 N 37(LYS) 1 1 1 2.879 103.728 5 OG 38(SER) 1 OG1 64(THR) 1 1 1 2.731 161.058 5 N 39(LYS) 1 N 40(LEU) 1 1 1 2.877 91.484 5 N 39(LYS) 1 O 91(ILE) 1 1 1 2.915 163.145 5 NZ 39(LYS) 1 O 38(SER) 1 1 1 2.718 153.979 5 NZ 39(LYS) 1 O 63(LYS) 1 1 1 2.714 172.376 5 N 40(LEU) 1 N 39(LYS) 1 1 1 2.877 99.247 5 N 40(LEU) 1 O 91(ILE) 1 1 1 3.223 168.469 5 N 41(ILE) 1 O 65(LYS) 1 1 1 2.788 167.389 5 N 42(ILE) 1 O 89(VAL) 1 1 1 2.805 176.423 5 N 43(ILE) 1 O 67(TYR) 1 1 1 3.065 163.577 5 N 44(ALA) 1 O 87(GLY) 1 1 1 2.819 151.434 5 N 45(ALA) 1 N 44(ALA) 1 1 1 2.895 93.289 5 ND2 46(ASN) 1 O 72(GLY) 1 1 1 2.781 160.310 5 N 47(THR) 1 O 45(ALA) 1 1 1 2.693 124.690 5 N 47(THR) 1 NE2 70(GLN) 1 1 1 3.194 124.418 5 OG1 47(THR) 1 O 45(ALA) 1 1 1 2.615 173.998 5 N 51(ARG) 1 O 48(PRO) 1 1 1 2.997 122.465 5 N 51(ARG) 1 N 50(LEU) 1 1 1 2.833 103.966 5 NE 51(ARG) 1 OH 26(TYR) 1 1 1 2.826 176.717 5 NH2 51(ARG) 1 OE1 54(GLU) 1 1 1 2.679 173.401 5 N 52(LYS) 1 O 48(PRO) 1 1 1 2.850 172.460 5 N 52(LYS) 1 N 51(ARG) 1 1 1 2.856 94.742 5 NZ 52(LYS) 1 OE1 56(GLU) 1 1 1 2.649 147.114 5 NZ 52(LYS) 1 OE2 56(GLU) 1 1 1 2.917 110.650 5 NZ 52(LYS) 1 OH 68(TYR) 1 1 1 3.039 139.159 5 N 53(SER) 1 O 49(VAL) 1 1 1 2.850 157.670 5 N 53(SER) 1 N 52(LYS) 1 1 1 2.805 96.378 5 OG 53(SER) 1 O 49(VAL) 1 1 1 2.504 173.261 5 N 54(GLU) 1 O 50(LEU) 1 1 1 2.969 153.072 5 N 54(GLU) 1 N 53(SER) 1 1 1 2.861 93.947 5 N 55(LEU) 1 O 51(ARG) 1 1 1 3.256 168.385 5 N 55(LEU) 1 O 52(LYS) 1 1 1 3.042 105.469 5 N 55(LEU) 1 N 54(GLU) 1 1 1 2.940 94.566 5 N 56(GLU) 1 O 52(LYS) 1 1 1 2.783 161.988 5 N 56(GLU) 1 N 55(LEU) 1 1 1 2.814 105.031 5 N 57(TYR) 1 O 53(SER) 1 1 1 2.755 148.821 5 N 57(TYR) 1 O 54(GLU) 1 1 1 3.181 109.834 5 N 57(TYR) 1 N 56(GLU) 1 1 1 2.857 94.834 5 N 58(TYR) 1 O 54(GLU) 1 1 1 3.000 163.298 5 N 58(TYR) 1 N 57(TYR) 1 1 1 2.913 93.106 5 OH 58(TYR) 1 OE2 54(GLU) 1 1 1 2.401 177.001 5 N 59(ALA) 1 O 55(LEU) 1 1 1 2.821 166.956 5 N 59(ALA) 1 N 58(TYR) 1 1 1 2.868 93.900 5 N 60(MET) 1 O 56(GLU) 1 1 1 2.899 123.700 5 N 60(MET) 1 O 57(TYR) 1 1 1 3.085 129.973 5 N 60(MET) 1 N 59(ALA) 1 1 1 2.828 102.905 5 N 61(LEU) 1 O 57(TYR) 1 1 1 2.828 166.405 5 N 61(LEU) 1 N 60(MET) 1 1 1 2.897 97.096 5 N 62(SER) 1 O 58(TYR) 1 1 1 2.853 157.662 5 OG 62(SER) 1 O 58(TYR) 1 1 1 2.529 179.411 5 NZ 63(LYS) 1 O 60(MET) 1 1 1 2.721 150.399 5 NZ 63(LYS) 1 O 61(LEU) 1 1 1 2.714 139.360 5 N 64(THR) 1 O 62(SER) 1 1 1 2.942 129.204 5 OG1 64(THR) 1 OG 62(SER) 1 1 1 2.589 175.339 5 N 65(LYS) 1 O 39(LYS) 1 1 1 2.822 158.242 5 NZ 65(LYS) 1 O 104(ALA) 1 1 1 2.669 151.376 5 NZ 65(LYS) 1 OXT 104(ALA) 1 1 1 2.760 103.550 5 N 67(TYR) 1 O 41(ILE) 1 1 1 2.817 156.998 5 OH 68(TYR) 1 OE2 56(GLU) 1 1 1 2.385 171.598 5 N 69(PHE) 1 O 43(ILE) 1 1 1 2.925 156.366 5 N 70(GLN) 1 N 69(PHE) 1 1 1 2.712 102.963 5 NE2 70(GLN) 1 O 47(THR) 1 1 1 2.810 160.258 5 N 71(GLY) 1 O 69(PHE) 1 1 1 2.782 146.319 5 N 72(GLY) 1 O 70(GLN) 1 1 1 3.119 108.797 5 N 72(GLY) 1 N 71(GLY) 1 1 1 2.773 108.972 5 N 73(ASN) 1 N 72(GLY) 1 1 1 2.784 105.462 5 ND2 73(ASN) 1 O 72(GLY) 1 1 1 2.784 174.700 5 N 74(ASN) 1 N 75(GLU) 1 1 1 2.844 94.500 5 N 74(ASN) 1 OE1 75(GLU) 1 1 1 2.948 139.837 5 N 74(ASN) 1 OE2 75(GLU) 1 1 1 2.879 152.391 5 ND2 74(ASN) 1 OE2 75(GLU) 1 1 1 2.714 162.047 5 N 75(GLU) 1 N 74(ASN) 1 1 1 2.844 106.756 5 N 76(LEU) 1 N 75(GLU) 1 1 1 2.888 103.138 5 N 77(GLY) 1 O 74(ASN) 1 1 1 2.827 153.790 5 N 77(GLY) 1 N 76(LEU) 1 1 1 2.803 104.980 5 N 78(THR) 1 N 77(GLY) 1 1 1 2.761 100.084 5 OG1 78(THR) 1 O 75(GLU) 1 1 1 2.623 171.168 5 N 79(ALA) 1 OD1 10(ASN) 1 1 1 3.148 129.979 5 N 79(ALA) 1 O 76(LEU) 1 1 1 2.986 121.086 5 N 80(VAL) 1 O 76(LEU) 1 1 1 3.125 172.653 5 N 80(VAL) 1 N 79(ALA) 1 1 1 2.940 96.069 5 N 81(GLY) 1 O 77(GLY) 1 1 1 3.202 120.359 5 N 82(LYS) 1 O 77(GLY) 1 1 1 2.784 153.355 5 N 82(LYS) 1 N 81(GLY) 1 1 1 2.841 107.131 5 NZ 82(LYS) 1 O 78(THR) 1 1 1 2.743 158.740 5 NZ 82(LYS) 1 O 79(ALA) 1 1 1 2.731 159.340 5 N 83(LEU) 1 O 81(GLY) 1 1 1 2.732 157.087 5 N 83(LEU) 1 N 82(LYS) 1 1 1 2.952 102.728 5 NE 85(ARG) 1 OD1 74(ASN) 1 1 1 2.810 150.308 5 NH1 85(ARG) 1 O 82(LYS) 1 1 1 2.682 159.706 5 NH1 85(ARG) 1 O 83(LEU) 1 1 1 2.683 148.139 5 NH2 85(ARG) 1 OD1 74(ASN) 1 1 1 2.706 151.901 5 N 86(VAL) 1 N 85(ARG) 1 1 1 2.806 106.211 5 N 87(GLY) 1 O 44(ALA) 1 1 1 2.962 126.223 5 N 87(GLY) 1 O 85(ARG) 1 1 1 2.973 112.339 5 N 88(VAL) 1 O 86(VAL) 1 1 1 2.863 149.975 5 N 88(VAL) 1 N 87(GLY) 1 1 1 2.952 95.804 5 N 89(VAL) 1 O 42(ILE) 1 1 1 2.901 171.902 5 N 90(SER) 1 O 23(THR) 1 1 1 3.000 151.270 5 OG 90(SER) 1 O 89(VAL) 1 1 1 2.607 169.457 5 N 91(ILE) 1 O 40(LEU) 1 1 1 2.765 168.189 5 N 92(LEU) 1 O 21(LYS) 1 1 1 2.832 174.325 5 N 93(GLU) 1 N 92(LEU) 1 1 1 2.874 97.262 5 N 95(GLY) 1 O 93(GLU) 1 1 1 2.864 148.307 5 N 96(ASP) 1 O 94(ALA) 1 1 1 2.807 154.020 5 N 96(ASP) 1 N 95(GLY) 1 1 1 2.870 98.577 5 OG 97(SER) 1 N 98(ASP) 1 1 1 2.997 104.805 5 OG 97(SER) 1 OD1 98(ASP) 1 1 1 2.461 162.844 5 N 98(ASP) 1 OG 97(SER) 1 1 1 2.997 96.909 5 N 99(ILE) 1 O 97(SER) 1 1 1 2.831 146.807 5 N 99(ILE) 1 N 98(ASP) 1 1 1 2.925 104.120 5 N 101(THR) 1 O 98(ASP) 1 1 1 2.816 156.796 5 N 101(THR) 1 N 100(LEU) 1 1 1 2.907 103.750 5 N 102(THR) 1 O 98(ASP) 1 1 1 2.951 141.071 5 N 102(THR) 1 O 99(ILE) 1 1 1 3.114 130.628 5 N 102(THR) 1 N 101(THR) 1 1 1 2.873 102.137 5 OG1 102(THR) 1 OD2 98(ASP) 1 1 1 2.433 173.116 5 N 103(LEU) 1 O 99(ILE) 1 1 1 2.756 145.112 5 N 103(LEU) 1 N 102(THR) 1 1 1 2.941 99.684 5 N 104(ALA) 1 O 102(THR) 1 1 1 2.959 152.938 5 N 104(ALA) 1 N 103(LEU) 1 1 1 2.777 98.471 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, 1ck2_wc.csv] Trying to match bases to eachother for number of bases: 0 Considering number of hydrogen bonds: 201 WARNING: requested less than 1 new rows in getNewRowIdList: 0 Results contains number of sets of co-planar bases: 0 Results: Writing results to file: 1ck2_wc.csv Wattos started at: April 20, 2007 11:46:17 AM CDT Wattos stopped at: April 20, 2007 11:46:18 AM CDT Wattos took (#ms): 992