Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 176.72 73 0.2664 1.83 146 97.3 0.80 9613.9938 82.14 2 183.55 62 0.2548 2.34 132 93.0 0.93 8215.7177 85.41 3 188.19 49 0.2535 2.34 140 98.6 0.66 10316.2976 82.82 4 189.09 65 0.2672 3.04 147 95.9 0.85 7914.8547 84.59 5 189.59 65 0.2498 1.85 153 100.8 0.84 9315.8144 73.37 6 195.30 68 0.2852 2.62 160 110.9 0.77 8913.4789 62.70 7 196.11 60 0.2683 2.57 176 106.6 0.76 9315.2869 70.10 8 196.46 62 0.2505 1.90 172 109.0 0.65 8616.5342 62.91 9 196.87 63 0.2435 2.08 162 106.6 0.73 9717.1289 78.31 10 198.42 70 0.2583 2.75 139 97.0 0.72 10116.7310 62.29 11 200.72 65 0.2575 1.56 156 100.1 0.73 8716.9287 70.37 12 200.83 58 0.2598 2.20 160 105.8 0.85 10116.4325 75.05 13 205.49 73 0.2759 1.87 183 117.6 0.82 9015.0145 94.05 14 205.75 64 0.2521 2.01 181 116.9 0.80 10216.9712 69.38 15 206.65 71 0.2758 2.22 157 106.3 0.70 9415.9142 72.52 16 209.27 77 0.2820 2.03 170 101.6 0.57 10416.2417 82.34 17 212.31 76 0.2943 2.68 158 107.1 0.65 9415.1342 53.64 18 213.63 65 0.2778 2.01 170 107.2 0.63 10316.5302 62.41 19 215.14 67 0.2681 2.02 136 95.6 0.73 9918.1704 84.78 20 218.71 74 0.3050 2.93 166 106.9 0.68 9314.7628 75.54 Ave 199.94 66 0.2673 2.24 158 104.0 0.74 9415.8969 74.24 +/- 10.85 7 0.0157 0.39 14 6.7 0.09 7 1.1088 9.96 Min 176.72 49 0.2435 1.56 132 93.0 0.57 7913.4789 53.64 Max 218.71 77 0.3050 3.04 183 117.6 0.93 10418.1704 94.05 Cut 0.60 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QD1 LEU 15 - H GLN 51 4.43 8 0.51 1.88 ++*++ ++ + peak 1169 Upper HB3 LEU 17 - HB3 HIS 18 5.10 11 0.57 1.07 + + + ++*++ + ++ peak 105 Upper H HIS 18 - HD2 HIS 18 3.91 7 0.44 1.10 + + + + + * + peak 854 Upper H HIS 18 - H THR 46 5.37 15 0.91 2.01 +++ ++++ +++ ++ *++ peak 862 Upper HA HIS 18 - HB3 LEU 76 4.61 12 0.85 2.20 +*++ +++ ++ ++ + peak 519 Upper HB3 HIS 18 - H ASN 19 3.58 10 0.54 0.93 + ++ ++ + +* + + peak 209 Upper HD2 HIS 18 - HZ3 TRP 118 4.97 10 0.64 1.82 * +++ ++ + + + + peak 502 Upper HE1 HIS 18 - HD22 ASN 19 5.37 14 0.72 1.48 ++ ++++++ ++ ++*+ peak 1715 Upper H ASN 19 - HB3 ARG 97 4.59 10 0.64 1.52 + +* + ++ ++ + + peak 216 Upper H ASN 19 - HD3 ARG 97 3.94 12 0.69 1.39 + *+ + + ++++ ++ + peak 211 Upper HD22 ASN 19 - HB3 TYR 116 3.89 9 0.59 1.45 + +++* + ++ + peak 1708 Upper H VAL 20 - HB3 LEU 76 3.59 7 0.51 1.65 + ++ + ++* peak 797 Upper QG1 VAL 20 - QD PHE 21 3.26 10 0.64 1.29 ++ ++ ++ ++ +* peak 134 Upper H VAL 22 - QD2 LEU 76 4.17 15 1.00 1.86 ++ +++++++++ + + *+ peak 1502 Upper HB2 ASP 30 - HB VAL 31 3.62 8 0.58 1.81 + + * +++ + + peak 44 Upper HB2 ASP 30 - QG1 VAL 31 3.87 14 0.76 1.25 +* + ++++++ ++++ + peak 156 Upper HB2 ASP 30 - H ILE 32 3.50 14 0.82 1.24 ++ + * + ++++++++ + peak 381 Upper HB2 ASP 30 - H VAL 34 3.74 9 0.53 1.26 + + * +++ +++ peak 397 Upper HB3 ASP 30 - H VAL 34 3.94 9 0.61 1.36 +* ++++ + ++ peak 398 Upper H VAL 31 - HA ILE 32 3.93 16 0.96 1.53 ++ +++ ++++++ ++*+ + peak 1436 Upper HB VAL 31 - HG12 ILE 32 3.43 6 0.38 1.18 + ++ ++ * peak 198 Upper HB VAL 31 - QG1 VAL 34 3.28 8 0.50 1.16 + + + + ++*+ peak 1464 Upper H ILE 32 - HD3 PRO 124 3.52 7 0.37 1.52 + + + +*++ peak 376 Upper H ASN 33 - QB ALA 122 3.94 10 0.58 1.07 + ++++ ++ * + + peak 347 Upper H ASN 33 - H ASP 123 3.42 10 0.53 1.25 + + + *++++ ++ peak 343 Upper HB3 ASN 33 - H ASP 123 3.67 6 0.34 0.77 ++ + * + + peak 714 Upper H VAL 34 - HA ASP 123 3.95 11 0.66 1.25 + +++++ + * + ++ peak 394 Upper H ILE 42 - HG13 ILE 42 3.33 7 0.55 1.09 ++ +* + + + peak 55 Upper H LEU 47 - HH2 TRP 118 4.37 16 0.94 1.93 ++++++++ + +++++ *+ peak 667 Upper HB2 LEU 47 - HA PHE 50 5.02 16 1.05 2.75 ++ ++++++* +++++++ peak 1512 Upper HB2 LEU 47 - H VAL 79 4.85 8 0.53 2.01 + + + * ++++ peak 1511 Upper HB3 LEU 47 - HZ3 TRP 118 4.58 13 0.64 1.14 ++ ++ ++++ ++*++ peak 380 Upper HG LEU 47 - QD PHE 50 3.47 7 0.43 1.59 ++ + + + +* peak 176 Upper H GLY 49 - HB3 GLN 51 4.72 7 0.64 2.61 + + + +* ++ peak 1182 Upper H GLY 49 - HG3 GLU 85 4.08 10 0.69 1.98 ++* ++ ++ ++ + peak 1180 Upper HA3 GLY 49 - QE PHE 50 4.11 12 0.73 1.80 + + + +++ ++++ +* peak 251 Upper HA3 GLY 49 - QG2 VAL 64 4.14 7 0.37 1.41 ++ + ++ +* peak 1756 Upper H PHE 50 - H SER 66 4.02 20 1.01 1.55 +++++++++++*++++++++ peak 359 Upper H PHE 50 - HA GLU 85 3.66 15 1.45 3.04 ++*++++ ++++ + ++ + peak 367 Upper H PHE 50 - QD1 LEU 87 4.90 13 0.94 2.13 +++*+ ++ +++++ + peak 1735 Upper HB2 PHE 50 - HB2 GLN 51 5.05 15 0.66 0.95 ++++++++ ++++ ++ * peak 1566 HB3 PHE 50 - HB2 GLN 51 Upper QD PHE 50 - H VAL 64 4.75 8 0.60 2.20 + ++ *+ +++ peak 920 Upper H GLN 51 - HG2 GLN 51 3.93 8 0.42 0.88 * + + + + + + + peak 1170 Upper HB2 GLN 51 - H PHE 53 3.90 7 0.58 1.09 ++ + + + * + peak 1464 Upper QD2 LEU 76 - H MET 77 3.88 17 0.93 1.53 ++ +++++++++++++ *+ peak 89 Upper QG2 VAL 79 - H SER 81 4.17 10 0.53 1.07 + + + + ++ +* + + peak 486 Upper H THR 80 - H GLU 83 4.32 6 0.36 1.56 + ++* + + peak 873 Upper H THR 80 - H LEU 84 4.65 13 0.99 2.14 *++++++ ++ + ++ + peak 206 Upper H LEU 84 - QG2 VAL 90 3.65 11 0.59 1.81 ++ +++ ++ ++* + peak 197 Upper H GLU 85 - QB ALA 89 4.01 10 0.59 1.71 + +*+ +++ ++ + peak 468 Upper H GLU 85 - QG1 VAL 90 4.47 8 0.59 1.49 ++ + +* +++ peak 1736 Upper QD1 LEU 87 - H TYR 116 4.43 8 0.48 1.66 + *++++ + + peak 147 Upper HA ASP 88 - H THR 115 4.15 10 0.76 1.82 + + *+ ++ ++ + + peak 549 Upper H ALA 89 - HA THR 115 4.00 13 0.85 2.57 + + *+ ++++ ++ + ++ peak 1134 Upper HG3 GLU 94 - QD TYR 95 4.21 7 0.38 0.76 + + + + * + + peak 84 Upper QD TYR 95 - QG2 ILE 119 4.01 6 0.34 1.36 * ++ + ++ peak 78 Upper H GLU 96 - HA VAL 113 4.60 19 1.20 2.68 +++++++++++++++*+++ peak 882 Upper H GLU 96 - HB VAL 113 3.83 8 0.52 1.23 + +++ + +* + peak 878 Upper H GLU 96 - H ILE 119 4.87 13 0.84 1.61 + ++++ + + +*+ + ++ peak 889 Upper H ARG 97 - HA VAL 98 4.30 14 0.68 1.16 +++ + ++ +++++++* peak 1064 Upper HD3 ARG 97 - H THR 115 4.73 9 0.61 2.07 + + + ++ +++* peak 557 Upper H VAL 98 - HB VAL 113 4.24 13 0.85 1.50 + ++*++ ++ + ++++ peak 114 Upper H ARG 104 - H GLU 109 4.26 15 0.93 1.53 + + ++++++++ ++++* peak 12 Upper HA ARG 104 - H ASP 106 3.56 20 0.85 1.25 ++++++++++*+++++++++ peak 450 Upper H GLU 105 - HB3 ASN 107 4.16 19 0.84 1.21 ++++++ ++++++++++*++ peak 1235 Upper HA GLU 105 - H SER 108 3.49 11 0.68 1.11 ++ + ++ +++* + + peak 602 Upper H ASP 106 - HB3 ASN 107 3.72 9 0.56 1.11 +++ + ++ + *+ peak 446 Upper HA ASP 106 - H SER 108 2.99 14 0.70 1.21 ++++ +*+ +++ + ++ + peak 604 Upper HA ASN 107 - HB3 SER 108 4.25 18 0.80 1.18 ++ +++*++++++++ ++++ peak 923 Upper HB3 ASN 107 - H GLU 109 3.83 19 0.86 1.09 ++++++++++++*++ ++++ peak 247 Upper QG2 VAL 113 - HB2 LYS 114 4.61 8 0.57 1.43 +* + + ++ + + peak 870 Upper HA ASN 120 - H ASP 123 4.32 6 0.45 0.93 ++ * ++ + peak 730 Upper H LYS 121 - QB ALA 122 4.03 10 0.61 1.00 +++ * +++ + ++ peak 1227 Upper HG3 LYS 121 - H ASP 123 3.63 6 0.42 1.31 + * ++ + + peak 728 HD3 LYS 121 - H ASP 123 Upper H GLU 133 - HB3 GLU 134 4.07 6 0.54 0.77 * + +++ + peak 1308 Upper H GLU 133 - HA ILE 150 3.28 20 1.30 2.08 ++++++++*+++++++++++ peak 1299 Upper HA GLU 133 - H LYS 149 4.10 6 0.50 2.34 +* ++ + + peak 958 Upper HA GLU 133 - HA ILE 150 2.81 7 0.38 1.29 + ++ ++ * + peak 962 Upper H GLU 134 - HG3 GLU 145 4.34 15 0.82 1.21 + +++ *+ ++ ++++ +++ peak 181 Upper H TRP 135 - HG3 GLU 145 3.86 19 0.93 1.56 ++++++++*+++++ +++++ peak 1172 Upper H TRP 135 - HA ILE 150 4.01 20 1.26 1.56 +++++*++++++++++++++ peak 717 Upper H ARG 137 - H HIS 139 4.44 9 0.62 0.94 ++ + * + +++ + peak 541 Upper H ARG 137 - HD2 LYS 141 3.72 15 0.91 1.21 * ++++++ ++ +++ ++ + peak 1135 Upper H ARG 137 - HD3 LYS 141 3.91 13 0.65 1.18 ++++ + ++ +* ++++ peak 1374 Upper H LYS 141 - HB3 LYS 142 3.99 17 0.60 0.73 ++++++++ ++ +*+ ++++ peak 1074 Upper H ILE 144 - HG3 GLU 145 4.82 19 1.13 1.56 ++++++++++++* ++++++ peak 1170 Upper QG2 ILE 144 - HG3 GLU 145 4.24 6 0.45 1.03 + + + + * + peak 1169 Upper HG3 GLU 145 - H THR 146 4.63 10 0.58 0.79 + + +++* ++ ++ peak 1362 VdW CG HIS 18 - C HIS 18 2.90 7 0.10 0.25 ++ + * ++ + VdW O HIS 18 - ND2 ASN 19 2.75 8 0.14 0.50 + ++ ++ +* + VdW CG1 VAL 20 - C VAL 20 2.90 6 0.12 0.33 + + * + + + VdW CG2 VAL 20 - C VAL 20 2.90 8 0.13 0.33 * ++ + +++ + VdW O VAL 20 - HA ARG 97 2.30 6 0.19 0.85 + + + * + + VdW CG PHE 21 - O PHE 21 2.90 9 0.15 0.47 ++ + ++ + + +* VdW CG2 VAL 22 - C VAL 22 2.90 7 0.12 0.33 + +*+++ + VdW HB3 ASP 30 - N VAL 31 2.45 9 0.12 0.27 * + ++++ + + + VdW HB3 ASP 30 - H VAL 31 1.95 8 0.12 0.32 + + ++*+ + + VdW HB VAL 31 - H ILE 32 1.95 7 0.12 0.29 + +++ + *+ VdW CG2 ILE 32 - CD1 ILE 32 3.00 11 0.17 0.32 ++ ++*++ + + ++ VdW CB ASN 33 - HA ASP 123 2.60 10 0.22 0.49 *++++ + ++ ++ VdW HB3 ASN 33 - HD2 PRO 124 2.00 6 0.10 0.43 ++ + * + + VdW H VAL 34 - CG2 VAL 34 2.55 6 0.10 0.43 * + ++ + + VdW HA THR 39 - CD PRO 40 2.60 10 0.20 0.30 + * ++++ +++ + VdW N ILE 42 - CG2 ILE 42 2.85 6 0.12 0.25 + ++ +* + VdW CG1 ILE 42 - C ILE 42 2.90 10 0.18 0.33 +++++ +* ++ + VdW HG12 ILE 42 - C ILE 42 2.50 8 0.16 0.51 + +*++ + ++ VdW CG1 VAL 43 - C VAL 43 2.90 7 0.11 0.28 + + *+ + ++ VdW O THR 46 - HD3 PRO 48 2.30 7 0.15 0.43 ++ ++ + * + VdW HA LEU 47 - CD PRO 48 2.60 15 0.24 0.31 ++++++++++ + + ++* VdW N PHE 50 - CD1 PHE 50 3.05 7 0.17 0.55 * + + ++ ++ VdW N PHE 50 - HD1 PHE 50 2.45 7 0.16 0.73 + + *+ ++ + VdW N PHE 50 - HD2 PHE 50 2.45 6 0.10 0.40 + + + *+ + VdW HA VAL 64 - CD PRO 65 2.60 13 0.22 0.30 +++ ++++ +++ ++ * VdW CB LYS 68 - H GLY 69 2.55 8 0.13 0.33 + *++ + + + + VdW CG1 VAL 75 - C VAL 75 2.90 7 0.12 0.33 ++ ++++* VdW CB VAL 79 - H THR 80 2.55 6 0.13 0.42 + + ++* + VdW CG1 VAL 79 - C VAL 79 2.90 8 0.11 0.31 + +++ + +* + VdW CG1 VAL 79 - N THR 80 3.05 12 0.23 0.50 + +++ + ++++ *+ + VdW CG1 VAL 79 - H THR 80 2.55 6 0.15 0.50 + +* ++ + VdW CG2 VAL 79 - H THR 80 2.55 6 0.11 0.44 +* ++ ++ VdW CB THR 80 - H SER 81 2.55 6 0.11 0.39 ++ + * ++ VdW O THR 80 - N GLU 83 2.75 6 0.11 0.49 + + * ++ + VdW C ASP 82 - H LEU 84 2.45 9 0.17 0.55 ++ +++ +* + + VdW C GLU 83 - N GLU 85 2.95 13 0.25 0.43 + *++++ +++ +++ + VdW C GLU 83 - H GLU 85 2.45 12 0.29 0.63 + +++++ +++ +* + VdW O GLU 83 - N GLU 85 2.75 12 0.31 0.70 + +*+++ ++ +++ + VdW CB ASN 86 - H LEU 87 2.55 7 0.16 0.40 * +++ + + + VdW O ASN 86 - C LEU 87 2.80 6 0.13 0.48 + +*+ + + VdW O ASN 86 - N ASP 88 2.75 6 0.23 0.85 + +*+ + + VdW O LEU 87 - C ASP 88 2.80 8 0.13 0.40 ++ *++ + + + VdW O LEU 87 - N GLU 91 2.75 7 0.14 0.41 ++ +* + + + VdW CB ASP 88 - HA THR 115 2.60 9 0.16 0.48 +++* + + ++ + VdW N VAL 90 - CG2 VAL 90 2.85 10 0.18 0.24 +++ ++ ++*+ + VdW H VAL 90 - CG2 VAL 90 2.55 16 0.29 0.45 +++++ ++++ +++*+ ++ VdW CB ASN 93 - H GLU 94 2.55 6 0.09 0.39 + + +* + + VdW C ASN 107 - N GLU 109 2.95 16 0.25 0.41 +++ + +++++++*+ +++ VdW C ASN 107 - H GLU 109 2.45 19 0.49 0.64 ++++++ +++++++*+++++ VdW O ASN 107 - N GLU 109 2.75 10 0.24 0.54 + +++ + *+ +++ VdW O LYS 114 - CB THR 115 2.90 14 0.26 0.50 ++*++ ++ ++++ ++ + VdW O LYS 114 - OG1 THR 115 2.60 10 0.23 0.72 +++ * ++ + ++ + VdW O LYS 114 - CG2 THR 115 2.90 9 0.17 0.55 + * ++ + + +++ VdW N TRP 118 - CG TRP 118 2.85 9 0.18 0.22 *+ ++ ++ ++ + VdW H TRP 118 - CG TRP 118 2.55 11 0.22 0.40 + +++ + ++ + ++* VdW H ILE 119 - CG1 ILE 119 2.55 6 0.13 0.43 + + * +++ VdW C ASN 120 - H ALA 122 2.45 9 0.17 0.36 ++ ++ *+ ++ + VdW O LYS 121 - C ALA 122 2.80 6 0.12 0.40 + + + +* + VdW O ALA 122 - CB ASP 123 2.90 6 0.13 0.54 + + + *+ + VdW O ALA 122 - C ASP 123 2.80 7 0.13 0.47 + + ++ ++ * VdW O PRO 124 - C ASP 125 2.80 6 0.11 0.42 + +* + + + VdW CB GLU 133 - N ILE 150 3.05 7 0.13 0.37 ++ + + + + * VdW O GLU 133 - HA ILE 150 2.30 9 0.18 0.42 +++ + * +++ + VdW CG GLU 134 - C GLU 134 2.90 11 0.16 0.24 + ++ +++ ++ ++* VdW HB3 LYS 136 - N LYS 141 2.45 16 0.27 0.47 *+++++++ + + ++++++ VdW C LYS 136 - N LEU 138 2.95 19 0.25 0.41 ++++++++*+++++ +++++ VdW C LYS 136 - H LEU 138 2.45 16 0.26 0.57 +++++++*+++++ + ++ VdW C LYS 136 - HB3 LYS 141 2.50 15 0.24 0.42 ++++++*+ ++ + +++ + VdW O LYS 136 - N LEU 138 2.75 18 0.27 0.55 ++++++++* ++++ +++++ VdW O LYS 136 - CD LYS 141 2.90 7 0.16 0.45 + + *++ ++ VdW C ARG 137 - HD2 LYS 141 2.50 16 0.27 0.51 +* ++ ++ ++ ++++++++ VdW O ARG 137 - HD2 LYS 141 2.30 17 0.28 0.44 +++*++++ ++ ++ +++++ VdW C LYS 141 - N PHE 143 2.95 7 0.19 0.26 + + ++ + * + VdW C LYS 141 - H PHE 143 2.45 7 0.19 0.27 + *+ ++ + + VdW O LYS 141 - N THR 146 2.75 8 0.16 0.34 + ++ * ++ ++ VdW CG2 ILE 144 - CD1 ILE 144 3.00 20 0.27 0.31 +++*++++++++++++++++ VdW HA GLU 145 - HB3 LYS 148 2.00 6 0.11 0.34 + ++ *+ + VdW CB LYS 148 - H LYS 149 2.55 12 0.19 0.35 ++ ++ ++ *+++++ VdW HB3 LYS 148 - H LYS 149 1.95 12 0.23 0.48 +* +++ ++++ ++ + VdW O LYS 149 - C ILE 150 2.80 7 0.16 0.22 + + + +++* VdW O LYS 149 - N GLU 152 2.75 6 0.13 0.33 + + * ++ + VdW CG2 ILE 150 - CD1 ILE 150 3.00 8 0.16 0.33 + + + ++ + +* Angle PHI HIS 18 -140.00 -116.00 13 9.65 26.93 + *+ ++ ++ ++++++ Angle PSI HIS 18 138.00 158.00 10 8.38 24.82 ++ ++ ++ + ++* Angle PHI ASN 19 -138.00 -88.00 12 11.07 62.29 ++++ ++ * +++ ++ Angle PSI ASN 19 124.00 156.00 9 10.06 43.27 + + +++ + +* + Angle PHI VAL 20 -133.00 -113.00 16 13.24 38.39 ++++ + + ++ ++*+++++ Angle PSI VAL 20 118.00 144.00 12 6.67 17.87 ++++++ + +++ * + Angle PHI PHE 21 -128.00 -94.00 9 6.42 22.11 + *+ ++ ++ + + Angle PSI PHE 21 124.00 148.00 7 5.12 19.32 + +++ + +* Angle PHI VAL 22 -137.00 -101.00 6 3.53 12.54 +* + + ++ Angle PSI PRO 29 -39.00 -29.00 14 7.20 14.69 ++ * +++++++++ ++ Angle PHI ASP 30 -76.00 -56.00 13 6.85 16.42 ++ +++++ ++ *+ ++ Angle PSI ASP 30 -48.00 -28.00 15 26.78 49.27 ++ + +++++++++ +*+ Angle PHI VAL 31 -76.00 -56.00 20 37.59 66.16 +++++++++++++*++++++ Angle PSI VAL 31 -53.00 -31.00 17 22.29 36.54 ++ ++++*+++++++ +++ Angle PHI ILE 32 -73.00 -53.00 19 39.71 69.55 +++++++++++*++ +++++ Angle PSI ILE 32 -55.00 -35.00 16 10.02 19.85 + ++++ +++++*+++ ++ Angle PHI ASN 33 -74.00 -54.00 9 5.01 14.11 ++ + ++ + + *+ Angle PHI VAL 34 -81.00 -61.00 15 9.38 40.09 ++++++++++ + *+++ Angle PSI VAL 34 -51.00 -31.00 7 4.98 18.16 + + ++ *+ + Angle PHI MET 35 -78.00 -58.00 6 4.36 21.19 + + + * + + Angle PSI MET 35 -35.00 -15.00 7 7.28 43.04 + + *++ + + Angle PHI LEU 36 -115.00 -83.00 8 7.24 32.39 + + *+++ + + Angle PSI LEU 36 -34.00 10.00 6 3.33 13.53 + + * ++ + Angle PSI ILE 42 124.00 144.00 15 9.74 20.61 + * ++ + + +++++++++ Angle PHI VAL 43 -132.00 -112.00 16 10.86 26.55 +++++* ++ ++++++++ Angle PSI VAL 43 115.00 145.00 7 6.72 37.63 + + + + + + * Angle PHI SER 44 -113.00 -77.00 14 10.10 38.21 + ++ ++++ ++ + + +*+ Angle PSI SER 44 124.00 144.00 8 5.28 23.53 + + ++ ++*+ Angle PHI ALA 45 -145.00 -125.00 8 5.54 21.94 + + + + ++*+ Angle PSI ALA 45 131.00 157.00 13 9.77 33.31 ++ + + +++*+ ++++ Angle PHI THR 46 -134.00 -92.00 6 6.73 31.37 + * ++++ Angle PSI THR 46 118.00 138.00 6 4.17 13.21 + + * + + + Angle PHI LEU 47 -131.00 -99.00 16 14.65 36.83 ++ ++++++*+ +++ +++ Angle PSI PRO 48 133.00 147.00 11 8.18 25.50 ++ + + * ++ ++++ Angle PHI PHE 50 -149.00 -103.00 12 14.15 51.91 ++++++ + + *+ ++ Angle PSI PHE 50 145.00 175.00 19 18.91 36.12 +++++++*+++++++++++ Angle PHI GLN 51 -164.00 -140.00 18 13.08 27.01 + ++++++++++*++ ++++ Angle PSI GLN 51 141.00 167.00 7 3.80 9.98 + + * + + + + Angle PSI ARG 52 113.00 141.00 20 16.86 36.68 +++++++++++++++*++++ Angle PSI CYS 62 149.00 169.00 10 6.00 14.76 + + + ++ ++ + +* Angle PHI ILE 63 -151.00 -129.00 13 6.72 18.24 ++++ + +++ ++++ * Angle PSI VAL 64 146.00 170.00 13 9.54 24.95 +++ ++++ + ++ ++ * Angle PHI SER 66 -124.00 -76.00 7 5.37 20.72 + ++*+ ++ Angle PSI SER 66 99.00 147.00 8 4.50 18.46 ++ * + ++ ++ Angle PHI GLU 67 -72.00 -52.00 7 3.51 16.61 ++ + + ++ * Angle PSI GLU 67 -36.00 -16.00 8 5.95 18.35 + +++ * ++ + Angle PSI GLU 70 127.00 159.00 6 3.75 7.83 ++* + + + Angle PHI VAL 71 -140.00 -110.00 11 4.52 9.69 * + +++ ++ + + ++ Angle PSI VAL 71 120.00 142.00 10 5.41 10.82 + ++++ ++ * + + Angle PHI HIS 72 -116.00 -70.00 6 3.41 10.49 ++ + + *+ Angle PSI LYS 74 148.00 172.00 19 16.70 35.91 ++++ +++++++++++++*+ Angle PHI VAL 75 -138.00 -108.00 17 23.18 40.57 + +++++++*++++ + +++ Angle PSI VAL 75 116.00 146.00 15 10.13 19.83 ++++++ + +++*+++ + Angle PHI LEU 76 -116.00 -96.00 14 9.57 27.38 ++ +++ *+++++ + + + Angle PSI LEU 76 104.00 128.00 17 12.68 22.67 ++++ *++ + +++++++++ Angle PHI MET 77 -128.00 -70.00 8 6.47 43.52 + +++ ++*+ Angle PHI THR 80 -117.00 -71.00 9 5.55 21.33 + + + + +++ +* Angle PSI THR 80 159.00 179.00 16 17.50 45.63 +++++++*+ ++++ ++ + Angle PHI SER 81 -70.00 -50.00 14 8.66 19.76 *++ ++ +++++++ + + Angle PSI ASP 82 -50.00 -30.00 17 16.43 35.68 +++ ++++++++++++*+ Angle PHI GLU 83 -79.00 -59.00 14 18.83 50.03 ++++ +++++++ + +* Angle PSI GLU 83 -49.00 -29.00 16 17.77 54.11 +++*+++++ ++ ++++ + Angle PHI LEU 84 -74.00 -54.00 14 16.17 72.52 ++++ + + +++*+ +++ Angle PSI LEU 84 -52.00 -32.00 18 18.90 72.12 ++++ +++++++++*+++ + Angle PHI GLU 85 -75.00 -55.00 12 11.88 44.12 +++++++ + + +* + Angle PSI GLU 85 -51.00 -31.00 9 16.35 94.05 ++ + + * ++++ Angle PHI ASN 86 -76.00 -56.00 15 14.86 62.32 ++ ++*++ ++++ ++++ Angle PSI ASN 86 -52.00 -32.00 19 48.30 84.59 +++*+++++++++++++ ++ Angle PHI LEU 87 -72.00 -52.00 19 54.03 84.78 +++++++++++++++++ *+ Angle PSI LEU 87 -51.00 -31.00 15 16.77 47.43 +++ + ++++ +++++*+ Angle PHI ASP 88 -72.00 -52.00 15 19.99 51.70 *++ +++ ++++++ ++ + Angle PSI ASP 88 -50.00 -30.00 11 10.71 31.68 + ++ +++ +++ * + Angle PHI ALA 89 -73.00 -53.00 11 5.45 16.14 ++ +++++++*+ Angle PSI ALA 89 -52.00 -32.00 13 9.50 34.80 ++++++ ++ +*++ + Angle PHI VAL 90 -76.00 -56.00 11 5.31 14.97 ++ +++ + + +* ++ Angle PSI VAL 90 -56.00 -36.00 18 9.78 19.16 +*++++++ +++++++ +++ Angle PHI GLU 91 -94.00 -58.00 8 4.71 24.75 + + + +* + + + Angle PSI GLU 91 -43.00 -1.00 12 8.28 27.17 + ++++ ++ ++ ++* Angle PHI TYR 95 -139.00 -105.00 14 6.93 14.14 * ++++ ++++++ ++ + Angle PSI TYR 95 143.00 163.00 13 12.01 32.90 + + + + +++++* + ++ Angle PHI GLU 96 -153.00 -121.00 12 8.12 18.71 ++++ +++ + *+ ++ Angle PSI GLU 96 127.00 161.00 9 6.21 31.91 + + +++ + ++* Angle PHI ARG 97 -111.00 -87.00 14 9.59 24.79 +++++* ++++ ++++ Angle PSI ARG 97 117.00 137.00 9 7.00 30.18 +* + + ++++ + Angle PHI VAL 98 -133.00 -111.00 7 4.74 20.46 +*+ + ++ + Angle PHI THR 99 -111.00 -87.00 9 5.04 13.88 + + + + * + + + + Angle PSI THR 99 123.00 143.00 11 5.54 18.54 + ++ + + ++*+++ Angle PHI VAL 100 -143.00 -123.00 9 5.26 15.59 + + + +++++* Angle PHI VAL 103 -125.00 -77.00 9 5.86 18.54 * +++ + + + ++ Angle PHI ASP 106 -82.00 -58.00 15 7.97 16.57 ++++++++ +*+ + ++ + Angle PSI LYS 110 126.00 148.00 11 6.70 17.35 + + ++ ++++* ++ Angle PHI MET 111 -155.00 -93.00 11 6.65 23.69 + + + + ++++* ++ Angle PHI ALA 112 -118.00 -86.00 11 8.06 22.72 + + + ++ ++ * ++ + Angle PSI ALA 112 120.00 144.00 7 4.89 15.82 ++ + + +*+ Angle PHI VAL 113 -146.00 -126.00 13 9.43 22.03 +++ ++ +++ * ++++ Angle PSI LYS 114 134.00 164.00 19 37.25 53.90 +*+++++++++++++++++ Angle PHI THR 115 -163.00 -113.00 20 37.75 57.38 ++*+++++++++++++++++ Angle PSI THR 115 124.00 174.00 8 8.42 33.39 + + + + + *+ + Angle PHI TYR 116 -124.00 -96.00 16 10.85 37.96 +++ +++++ +++++* ++ Angle PSI TYR 116 108.00 138.00 19 24.54 43.97 +++ +++++++++++++++* Angle PHI MET 117 -145.00 -107.00 20 21.86 43.07 +++++++++++++++++++* Angle PSI MET 117 118.00 156.00 11 8.06 28.15 ++ + +++ + * +++ Angle PSI TRP 118 117.00 157.00 16 10.79 35.67 + +++ + +++ ++++*+++ Angle PHI ILE 119 -72.00 -52.00 7 4.33 27.08 + + +++ * + Angle PHI ASN 120 -104.00 -78.00 6 2.97 10.14 + ++ + + * Angle PSI ASN 120 -11.00 9.00 10 8.80 24.57 +++ + ++ ++ * + Angle PSI PHE 132 -54.00 -34.00 16 9.04 34.76 ++*+++ ++ ++ +++ +++ Angle PSI GLU 133 -50.00 -30.00 10 5.46 20.11 ++ ++ + + * +++ Angle PHI GLU 134 -78.00 -58.00 14 13.08 27.98 + + ++ ++ +++*+++ + Angle PSI GLU 134 -54.00 -34.00 20 15.59 23.07 ++++++++++++++*+++++ Angle PHI TRP 135 -73.00 -53.00 9 5.45 18.10 + ++*+ + +++ Angle PSI TRP 135 -52.00 -32.00 13 8.91 25.11 + * + ++ +++++++ + Angle PSI LYS 136 -52.00 -32.00 20 16.24 45.96 ++++++++*+++++++++++ Angle PHI ARG 137 -74.00 -54.00 19 11.15 14.28 +++++++++++*++ +++++ Angle PSI ARG 137 -51.00 -31.00 20 10.04 22.04 ++++++++*+++++++++++ Angle PHI LEU 138 -91.00 -71.00 13 7.49 20.30 + +++++++ *+ + ++ Angle PSI LEU 138 -45.00 -15.00 20 17.33 20.52 +++++++++++++*++++++ Angle PHI HIS 139 -107.00 -71.00 20 44.59 49.03 ++++++++++++++++++*+ Angle PHI LYS 142 -75.00 -55.00 16 7.47 13.84 +++++++++ +++*+ + + Angle PSI LYS 142 -49.00 -29.00 20 8.52 11.86 ++*+++++++++++++++++ Angle PSI PHE 143 -54.00 -34.00 20 32.62 43.68 +++++++++++++*++++++ Angle PHI ILE 144 -73.00 -53.00 20 46.06 69.38 +++++++++++++*++++++ Angle PHI GLU 145 -71.00 -51.00 15 6.22 9.34 ++++* ++++ + +++++ Angle PHI THR 146 -79.00 -59.00 17 13.78 28.85 +++ +++*++++++++++ Angle PSI THR 146 -48.00 -28.00 7 5.16 20.72 +*+ ++ + + Angle PHI PHE 147 -77.00 -57.00 19 18.90 40.36 +++++ +++*++++++++++ Angle PSI PHE 147 -50.00 -30.00 15 10.99 35.06 *+++++++++++ ++ + Angle PSI LYS 148 -48.00 -28.00 17 38.40 58.47 +++ ++++++++*+++++ Angle PHI LYS 149 -74.00 -54.00 18 43.54 66.01 ++++++++++++++++*+ Angle PSI LYS 149 -48.00 -28.00 16 17.01 43.57 + ++++ +++*+ ++++ ++ Angle PHI ILE 150 -74.00 -54.00 18 13.39 17.43 ++++++++++++++*+++ Angle PHI MET 151 -76.00 -56.00 15 7.16 27.41 + ++++++*++ + +++ + Angle PHI GLU 152 -76.00 -56.00 6 3.76 9.45 * + + + ++ Angle PHI CYS 153 -73.00 -53.00 18 10.59 21.52 +++++*++++++ + +++++ Angle PSI CYS 153 -50.00 -30.00 10 5.63 12.99 ++++ ++* + + + 88 violated distance constraints. 135 violated angle constraints. RMSDs for residues 18..164: Average backbone RMSD to mean : 7.26 +/- 1.55 A (4.81..11.26 A) Average heavy atom RMSD to mean : 7.92 +/- 1.52 A (5.52..11.70 A)