| 1 | M | 55.6 | Low | 65.6 | Low | 228 Ų | 228 | 133.1 Ų | 133.1 | 100% | 1.123 | 69% | 0.691 | S | S | * | * | | | | 0 | 32.1 | 0 | -55.3 | -171.8 | -74.5 | 0 | 0 | 113.4 | | |
| 2 | K | 59 | Low | 65.2 | Low | 196 Ų | 196 | 127 Ų | 127 | 85% | 0.852 | 67% | 0.674 | S | S | * | * | | | trans | -91.9 | -13 | -176.2 | -70.2 | -177.3 | 178.4 | -178.2 | 0 | 114.8 | | |
| 3 | Q | 57.6 | Low | 64.9 | Low | 181 Ų | 181 | 125.3 Ų | 125.3 | 85% | 0.846 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -79.8 | -16.4 | -175.5 | -69.6 | -170.2 | -14.8 | 0 | 0 | 114.3 | | |
| 4 | S | 66.8 | Low | 64.3 | Low | 83 Ų | 83 | 119.1 Ų | 119.1 | 58% | 0.58 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -75.7 | -26 | -177.9 | 67.4 | 0 | 0 | 0 | 0 | 113.4 | V8 | S4-V8 WeakPolarHBondContact O-CG2 3.47Å |
| 5 | L | 66.7 | Low | 63.6 | Low | 114 Ų | 114 | 121.1 Ų | 121.1 | 60% | 0.597 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -73.2 | -36.3 | -172.8 | -131 | 153.5 | 0 | 0 | 0 | 111.9 | V8 F9 | L5-V8 PolarHBondContact O-N 3.11Å; L5-F9 HydrophobicContact CD2-CD2 3.87Å; L5-F9 HydrophobicContact CD2-CE2 3.6Å; L5-F9 WeakPolarHBondContact O-CD2 3.36Å; L5-F9 PolarHBondContact O-N 2.87Å |
| 6 | T | 68.6 | Low | 62.8 | Low | 92 Ų | 92 | 117.3 Ų | 117.3 | 56% | 0.564 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.5 | -38.2 | 178.7 | -41.7 | 0 | 0 | 0 | 0 | 112.3 | V8 F9 L10 | T6-V8 VanDerWaalsContact C-N 3.32Å; T6-V8 PolarHBondContact O-N 3.22Å; T6-F9 PolarHBondContact O-N 2.89Å; T6-L10 PolarHBondContact O-N 3.03Å |
| 7 | L | 69.7 | Low | 62 | Low | 122 Ų | 122 | 115.1 Ų | 115.1 | 64% | 0.639 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.2 | -40.2 | 178.9 | -164.9 | 86.2 | 0 | 0 | 0 | 111.4 | F9 L10 V11 | L7-F9 PolarHBondContact O-N 3.11Å; L7-L10 PolarHBondContact O-N 2.85Å; L7-V11 WeakPolarHBondContact O-CG2 3.48Å; L7-V11 PolarHBondContact O-N 2.85Å |
| 8 | V | 72.6 | Confident | 61.3 | Low | 99 Ų | 99 | 111.4 Ų | 111.4 | 60% | 0.6 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.2 | -40.8 | 178.5 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | S4 L5 T6 A12 | S4-V8 WeakPolarHBondContact O-CG2 3.47Å; L5-V8 PolarHBondContact O-N 3.11Å; T6-V8 VanDerWaalsContact C-N 3.32Å; T6-V8 PolarHBondContact O-N 3.22Å; V8-A12 PolarHBondContact O-N 2.92Å; V8-A12 VanDerWaalsContact O-N 3.14Å |
| 9 | F | 68.1 | Low | 60.4 | Low | 134 Ų | 134 | 113.3 Ų | 113.3 | 59% | 0.588 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.3 | -40.9 | 178 | -94.1 | -83.7 | 0 | 0 | 0 | 112.9 | L5 T6 L7 A12 I13 | L5-F9 HydrophobicContact CD2-CD2 3.87Å; L5-F9 HydrophobicContact CD2-CE2 3.6Å; L5-F9 WeakPolarHBondContact O-CD2 3.36Å; L5-F9 PolarHBondContact O-N 2.87Å; T6-F9 PolarHBondContact O-N 2.89Å; L7-F9 PolarHBondContact O-N 3.11Å; F9-A12 PolarHBondContact O-N 3.04Å; F9-I13 WeakPolarHBondContact O-CG1 3.47Å; F9-I13 PolarHBondContact O-N 3.32Å; F9-I13 VanDerWaalsContact O-N 3.1Å |
| 10 | L | 67.7 | Low | 59.5 | Low | 117 Ų | 117 | 113.2 Ų | 113.2 | 61% | 0.613 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.7 | -39.7 | 180 | -71 | 170.6 | 0 | 0 | 0 | 112.5 | T6 L7 A12 I13 G14 | T6-L10 PolarHBondContact O-N 3.03Å; L7-L10 PolarHBondContact O-N 2.85Å; L10-A12 VanDerWaalsContact C-N 3.35Å; L10-I13 PolarHBondContact O-N 3.09Å; L10-G14 PolarHBondContact O-N 3.14Å |
| 11 | V | 69.2 | Low | 58.6 | Low | 98 Ų | 98 | 113 Ų | 113 | 59% | 0.594 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.9 | -40.2 | 176.3 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | L7 G14 Y15 | L7-V11 WeakPolarHBondContact O-CG2 3.48Å; L7-V11 PolarHBondContact O-N 2.85Å; V11-G14 PolarHBondContact O-N 3.31Å; V11-Y15 WeakPolarHBondContact O-CB 3.36Å; V11-Y15 PolarHBondContact O-N 2.87Å |
| 12 | A | 60.7 | Low | 57.7 | Low | 60 Ų | 60 | 106.1 Ų | 106.1 | 50% | 0.496 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.4 | -42.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V8 F9 L10 A16 | V8-A12 PolarHBondContact O-N 2.92Å; V8-A12 VanDerWaalsContact O-N 3.14Å; F9-A12 PolarHBondContact O-N 3.04Å; L10-A12 VanDerWaalsContact C-N 3.35Å; A12-A16 PolarHBondContact O-N 3.09Å; A12-A16 VanDerWaalsContact O-N 3.12Å |
| 13 | I | 61.9 | Low | 56.7 | Low | 105 Ų | 105 | 104.8 Ų | 104.8 | 54% | 0.538 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.1 | -44.2 | 177.9 | -63.4 | 166.4 | 0 | 0 | 0 | 110.3 | F9 L10 Y15 A16 T17 | F9-I13 WeakPolarHBondContact O-CG1 3.47Å; F9-I13 PolarHBondContact O-N 3.32Å; F9-I13 VanDerWaalsContact O-N 3.1Å; L10-I13 PolarHBondContact O-N 3.09Å; I13-Y15 VanDerWaalsContact C-N 3.33Å; I13-Y15 PolarHBondContact O-N 3.08Å; I13-A16 PolarHBondContact O-N 3.16Å; I13-T17 PolarHBondContact O-N 3.4Å; I13-T17 VanDerWaalsContact O-N 3.09Å; I13-T17 PolarHBondContact O-OG1 3.1Å |
| 14 | G | 55.4 | Low | 55.7 | Low | 38 Ų | 38 | 103.9 Ų | 103.9 | 39% | 0.392 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.5 | -39 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | L10 V11 T17 A18 | L10-G14 PolarHBondContact O-N 3.14Å; V11-G14 PolarHBondContact O-N 3.31Å; G14-T17 WeakPolarHBondContact CA-OG1 3.48Å; G14-T17 PolarHBondContact O-OG1 3.31Å; G14-A18 PolarHBondContact O-N 3.19Å |
| 15 | Y | 54.2 | Low | 54.1 | Low | 149 Ų | 149 | 109.4 Ų | 109.4 | 58% | 0.584 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.1 | -46.4 | 176.6 | -154.6 | -104.4 | 0 | 0 | 0 | 110.9 | V11 I13 T17 A18 Y19 | V11-Y15 WeakPolarHBondContact O-CB 3.36Å; V11-Y15 PolarHBondContact O-N 2.87Å; I13-Y15 VanDerWaalsContact C-N 3.33Å; I13-Y15 PolarHBondContact O-N 3.08Å; Y15-T17 VanDerWaalsContact C-N 3.28Å; Y15-T17 PolarHBondContact O-N 3.17Å; Y15-A18 PolarHBondContact O-N 3.32Å; Y15-A18 VanDerWaalsContact O-N 3.11Å; Y15-Y19 AromaticContact CD1-CD2 3.74Å; Y15-Y19 HydrophobicContact CD1-CD2 3.74Å; Y15-Y19 AromaticContact CD1-CE2 3.43Å; Y15-Y19 HydrophobicContact CD1-CE2 3.43Å; Y15-Y19 VanDerWaalsContact CD1-CE2 3.43Å; Y15-Y19 AromaticContact CD2-CE2 3.97Å; Y15-Y19 HydrophobicContact CD2-CE2 3.97Å; Y15-Y19 AromaticContact CE1-CD2 3.76Å; Y15-Y19 HydrophobicContact CE1-CD2 3.76Å; Y15-Y19 AromaticContact CE1-CE2 3.06Å; Y15-Y19 HydrophobicContact CE1-CE2 3.06Å; Y15-Y19 AromaticContact CE1-CZ 3.71Å; Y15-Y19 AromaticContact CE2-CE2 3.65Å; Y15-Y19 HydrophobicContact CE2-CE2 3.65Å; Y15-Y19 HydrophobicContact CG-CD2 4.26Å; Y15-Y19 AromaticContact CG-CE2 3.89Å; Y15-Y19 HydrophobicContact CG-CE2 3.89Å; Y15-Y19 AromaticContact CZ-CE2 3.2Å; Y15-Y19 AromaticContact CZ-CZ 3.59Å; Y15-Y19 VanDerWaalsContact CZ-OH 3.25Å; Y15-Y19 VanDerWaalsContact O-CD2 3.26Å; Y15-Y19 WeakPolarHBondContact O-CD2 3.42Å; Y15-Y19 PolarHBondContact O-N 3.15Å; Y15-Y19 PolarHBondContact OH-OH 2.76Å |
| 16 | A | 51.8 | Low | 52.8 | Low | 61 Ų | 61 | 109.2 Ų | 109.2 | 50% | 0.504 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.4 | -34.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A12 I13 T20 | A12-A16 PolarHBondContact O-N 3.09Å; A12-A16 VanDerWaalsContact O-N 3.12Å; I13-A16 PolarHBondContact O-N 3.16Å; A16-T20 PolarHBondContact O-OG1 2.92Å |
| 17 | T | 48.9 | Very low | 51.1 | Low | 80 Ų | 80 | 107.4 Ų | 107.4 | 49% | 0.491 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -73 | -28 | 176.2 | 51.1 | 0 | 0 | 0 | 0 | 113.3 | I13 G14 Y15 T20 T21 | I13-T17 PolarHBondContact O-N 3.4Å; I13-T17 VanDerWaalsContact O-N 3.09Å; I13-T17 PolarHBondContact O-OG1 3.1Å; G14-T17 WeakPolarHBondContact CA-OG1 3.48Å; G14-T17 PolarHBondContact O-OG1 3.31Å; Y15-T17 VanDerWaalsContact C-N 3.28Å; Y15-T17 PolarHBondContact O-N 3.17Å; T17-T20 PolarHBondContact O-OG1 3.42Å; T17-T21 PolarHBondContact O-OG1 3.22Å |
| 18 | A | 48.7 | Very low | 49.4 | Very low | 49 Ų | 49 | 105.5 Ų | 105.5 | 41% | 0.405 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -74.9 | -32 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G14 Y15 S22 | G14-A18 PolarHBondContact O-N 3.19Å; Y15-A18 PolarHBondContact O-N 3.32Å; Y15-A18 VanDerWaalsContact O-N 3.11Å; A18-S22 PolarHBondContact O-OG 3.45Å |
| 19 | Y | 44.3 | Very low | 47.7 | Very low | 146 Ų | 146 | 111 Ų | 111 | 57% | 0.573 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -79.1 | -18.7 | 178.5 | -77.4 | -85.4 | 0 | 0 | 0 | 114 | Y15 | Y15-Y19 AromaticContact CD1-CD2 3.74Å; Y15-Y19 HydrophobicContact CD1-CD2 3.74Å; Y15-Y19 AromaticContact CD1-CE2 3.43Å; Y15-Y19 HydrophobicContact CD1-CE2 3.43Å; Y15-Y19 VanDerWaalsContact CD1-CE2 3.43Å; Y15-Y19 AromaticContact CD2-CE2 3.97Å; Y15-Y19 HydrophobicContact CD2-CE2 3.97Å; Y15-Y19 AromaticContact CE1-CD2 3.76Å; Y15-Y19 HydrophobicContact CE1-CD2 3.76Å; Y15-Y19 AromaticContact CE1-CE2 3.06Å; Y15-Y19 HydrophobicContact CE1-CE2 3.06Å; Y15-Y19 AromaticContact CE1-CZ 3.71Å; Y15-Y19 AromaticContact CE2-CE2 3.65Å; Y15-Y19 HydrophobicContact CE2-CE2 3.65Å; Y15-Y19 HydrophobicContact CG-CD2 4.26Å; Y15-Y19 AromaticContact CG-CE2 3.89Å; Y15-Y19 HydrophobicContact CG-CE2 3.89Å; Y15-Y19 AromaticContact CZ-CE2 3.2Å; Y15-Y19 AromaticContact CZ-CZ 3.59Å; Y15-Y19 VanDerWaalsContact CZ-OH 3.25Å; Y15-Y19 VanDerWaalsContact O-CD2 3.26Å; Y15-Y19 WeakPolarHBondContact O-CD2 3.42Å; Y15-Y19 PolarHBondContact O-N 3.15Å; Y15-Y19 PolarHBondContact OH-OH 2.76Å |
| 20 | T | 42.3 | Very low | 46.3 | Very low | 112 Ų | 112 | 108.4 Ų | 108.4 | 69% | 0.687 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -88.9 | -12.7 | 178.3 | 46.4 | 0 | 0 | 0 | 0 | 113.5 | A16 T17 | A16-T20 PolarHBondContact O-OG1 2.92Å; T17-T20 PolarHBondContact O-OG1 3.42Å |
| 21 | T | 41.2 | Very low | 44.9 | Very low | 110 Ų | 110 | 105.9 Ų | 105.9 | 68% | 0.675 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -115.5 | 23.6 | -178.1 | 57.7 | 0 | 0 | 0 | 0 | 114.7 | T17 | T17-T21 PolarHBondContact O-OG1 3.22Š|
| 22 | S | 37.1 | Very low | 43.6 | Very low | 83 Ų | 83 | 103.7 Ų | 103.7 | 58% | 0.58 | 64% | 0.637 | S | S | * | * | | | trans | -121.3 | 51.5 | 175.1 | -51.6 | 0 | 0 | 0 | 0 | 111.6 | A18 | A18-S22 PolarHBondContact O-OG 3.45Š|
| 23 | H | 37.8 | Very low | 42.5 | Very low | 167 Ų | 167 | 105.7 Ų | 105.7 | 77% | 0.773 | 65% | 0.646 | S | S | * | * | | | trans | -114.6 | 29 | 162.7 | -89.2 | -78.6 | 0 | 0 | 0 | 111.9 | Y25 | H23-Y25 PolarHBondContact O-N 3.5Å; H23-Y25 VanDerWaalsContact O-N 3.17Å |
| 24 | D | 36 | Very low | 41.7 | Very low | 162 Ų | 162 | 110.2 Ų | 110.2 | 87% | 0.866 | 66% | 0.657 | S | S | * | * | | | trans | -81 | 58.9 | 143.9 | -78 | -49.8 | 0 | 0 | 0 | 108.2 | S26 | D24-S26 PolarHBondContact O-N 3.22Š|
| 25 | Y | 33.1 | Very low | 41 | Very low | 200 Ų | 200 | 110.7 Ų | 110.7 | 78% | 0.784 | 66% | 0.663 | S | S | * | * | | | trans | -64.4 | 97.4 | 156.1 | -125.9 | -90 | 0 | 0 | 0 | 104.5 | H23 G27 | H23-Y25 PolarHBondContact O-N 3.5Å; H23-Y25 VanDerWaalsContact O-N 3.17Å; Y25-G27 PolarHBondContact O-N 3Å |
| 26 | S | 38.6 | Very low | 40.3 | Very low | 110 Ų | 110 | 109.2 Ų | 109.2 | 77% | 0.769 | 67% | 0.674 | S | S | * | * | | | trans | -7.1 | 100.9 | 166.3 | 170.4 | 0 | 0 | 0 | 0 | 111 | D24 G28 | D24-S26 PolarHBondContact O-N 3.22Å; S26-G28 PolarHBondContact O-N 3.49Å |
| 27 | G | 34.7 | Very low | 39.6 | Very low | 53 Ų | 53 | 113.6 Ų | 113.6 | 55% | 0.546 | 69% | 0.689 | S | S | . | * | | | trans | -45.7 | 107.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y25 Y29 | Y25-G27 PolarHBondContact O-N 3Å; G27-Y29 PolarHBondContact O-N 3.4Å |
| 28 | G | 32.9 | Very low | 39.5 | Very low | 82 Ų | 82 | 113.5 Ų | 113.5 | 85% | 0.845 | 69% | 0.691 | S | S | * | * | | | trans | -72.5 | 25.2 | 143.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S26 G30 | S26-G28 PolarHBondContact O-N 3.49Å; G28-G30 VanDerWaalsContact C-N 3.34Å; G28-G30 PolarHBondContact O-N 2.88Å |
| 29 | Y | 38.1 | Very low | 39.2 | Very low | 216 Ų | 216 | 118 Ų | 118 | 85% | 0.847 | 71% | 0.708 | S | S | * | * | | | trans | -76.1 | 93.5 | 172.1 | -72.2 | -75.8 | 0 | 0 | 0 | 107.4 | G27 G31 | G27-Y29 PolarHBondContact O-N 3.4Å; Y29-G31 VanDerWaalsContact C-N 3.33Å; Y29-G31 PolarHBondContact O-N 2.92Å |
| 30 | G | 37.5 | Very low | 38.6 | Very low | 78 Ų | 78 | 116.7 Ų | 116.7 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | | | trans | -44.2 | 98 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | G28 G32 | G28-G30 VanDerWaalsContact C-N 3.34Å; G28-G30 PolarHBondContact O-N 2.88Å; G30-G32 VanDerWaalsContact C-N 3.28Å; G30-G32 PolarHBondContact O-N 2.82Å |
| 31 | G | 38 | Very low | 38.1 | Very low | 65 Ų | 65 | 114.3 Ų | 114.3 | 67% | 0.67 | 72% | 0.718 | S | S | * | * | | | trans | -66.3 | 96.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | Y29 C33 | Y29-G31 VanDerWaalsContact C-N 3.33Å; Y29-G31 PolarHBondContact O-N 2.92Å; G31-C33 PolarHBondContact O-N 2.94Å; G31-C33 VanDerWaalsContact O-N 3.11Å |
| 32 | G | 43 | Very low | 37.9 | Very low | 52 Ų | 52 | 120.7 Ų | 120.7 | 54% | 0.536 | 73% | 0.731 | S | S | . | * | | | trans | -50.3 | 120.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | G30 Y34 | G30-G32 VanDerWaalsContact C-N 3.28Å; G30-G32 PolarHBondContact O-N 2.82Å; G32-Y34 WeakPolarHBondContact O-CD2 3.33Å; G32-Y34 PolarHBondContact O-N 3.16Å |
| 33 | C | 36.8 | Very low | 37.8 | Very low | 102 Ų | 102 | 120.6 Ų | 120.6 | 69% | 0.689 | 74% | 0.744 | S | S | * | * | | | trans | -65.1 | 105.4 | -177.9 | -54.2 | 0 | 0 | 0 | 0 | 108.3 | G31 G35 C38 | G31-C33 PolarHBondContact O-N 2.94Å; G31-C33 VanDerWaalsContact O-N 3.11Å; C33-G35 PolarHBondContact O-N 3.35Å; C33-C38 HydrophobicContact CB-CB 4.47Å; C33-C38 WeakPolarHBondContact CB-SG 3.49Å; C33-C38 PolarHBondContact O-SG 3.1Å |
| 34 | Y | 45.8 | Very low | 37.7 | Very low | 199 Ų | 199 | 120 Ų | 120 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | | | trans | -90.1 | 98.5 | 173.9 | -76.2 | -85.2 | 0 | 0 | 0 | 109.1 | G32 | G32-Y34 WeakPolarHBondContact O-CD2 3.33Å; G32-Y34 PolarHBondContact O-N 3.16Å |
| 35 | G | 40.2 | Very low | 37.7 | Very low | 49 Ų | 49 | 117.8 Ų | 117.8 | 51% | 0.505 | 74% | 0.744 | S | S | . | * | S | Bend | trans | 163.6 | 156.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | C33 D37 C38 | C33-G35 PolarHBondContact O-N 3.35Å; G35-D37 PolarHBondContact O-N 3.41Å; G35-D37 VanDerWaalsContact O-N 3.15Å; G35-C38 PolarHBondContact O-SG 3.2Å; G35-C38 VanDerWaalsContact O-SG 3.33Å |
| 36 | S | 39.4 | Very low | 37.8 | Very low | 118 Ų | 118 | 111.3 Ų | 111.3 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -3.2 | 177.3 | -45.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 37 | D | 36.7 | Very low | 37.8 | Very low | 152 Ų | 152 | 118.2 Ų | 118.2 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 28.6 | -173.9 | -54.9 | -44.4 | 0 | 0 | 0 | 112.5 | G35 D39 | G35-D37 PolarHBondContact O-N 3.41Å; G35-D37 VanDerWaalsContact O-N 3.15Å; D37-D39 PolarHBondContact O-N 3.4Å |
| 38 | C | 47.4 | Very low | 37.8 | Very low | 79 Ų | 79 | 119 Ų | 119 | 53% | 0.534 | 76% | 0.757 | S | S | . | * | | | trans | -80.5 | 44.9 | 170.4 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | C33 G35 | C33-C38 HydrophobicContact CB-CB 4.47Å; C33-C38 WeakPolarHBondContact CB-SG 3.49Å; C33-C38 PolarHBondContact O-SG 3.1Å; G35-C38 PolarHBondContact O-SG 3.2Å; G35-C38 VanDerWaalsContact O-SG 3.33Å |
| 39 | D | 41.3 | Very low | 38 | Very low | 144 Ų | 144 | 119 Ų | 119 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | | | trans | -85.7 | 112.7 | 170.5 | -105.6 | -75.2 | 0 | 0 | 0 | 107.5 | D37 | D37-D39 PolarHBondContact O-N 3.4Š|
| 40 | S | 32.9 | Very low | 38 | Very low | 118 Ų | 118 | 112 Ų | 112 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 103.8 | 102.4 | 173.3 | -53.9 | 0 | 0 | 0 | 0 | 116.3 | | |
| 41 | G | 31.9 | Very low | 38 | Very low | 62 Ų | 62 | 111.7 Ų | 111.7 | 64% | 0.639 | 74% | 0.735 | S | S | * | * | | | | 106.2 | 108.4 | 113.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 42 | Y | 36.5 | Very low | 38.3 | Very low | 243 Ų | 243 | 113.9 Ų | 113.9 | 95% | 0.953 | 74% | 0.736 | S | S | * | * | | | trans | 57.4 | 69.2 | 154.3 | -60 | -80.6 | 0 | 0 | 0 | 116 | | |
| 43 | G | 34.6 | Very low | 38.2 | Very low | 82 Ų | 82 | 113.8 Ų | 113.8 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | | | trans | -130 | 46.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 44 | D | 36.2 | Very low | 38.5 | Very low | 153 Ų | 153 | 115 Ų | 115 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | trans | -64 | 148 | 164.6 | -141 | -63.1 | 0 | 0 | 0 | 108.5 | | |
| 45 | S | 35.8 | Very low | 38.2 | Very low | 117 Ų | 117 | 113 Ų | 113 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | | | trans | 76.3 | 85 | 174.4 | -53.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 46 | G | 35 | Very low | 38.3 | Very low | 64 Ų | 64 | 114.7 Ų | 114.7 | 66% | 0.66 | 75% | 0.75 | S | S | * | * | | | trans | -161 | 96.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | G48 | G46-G48 PolarHBondContact O-N 3.14Å; G46-G48 VanDerWaalsContact O-N 3.12Å |
| 47 | Y | 38.7 | Very low | 38 | Very low | 254 Ų | 254 | 112.5 Ų | 112.5 | 100% | 0.996 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -45.4 | 116.9 | 173 | -98.2 | -103.8 | 0 | 0 | 0 | 110.6 | | |
| 48 | G | 35.2 | Very low | 37.8 | Very low | 71 Ų | 71 | 108.2 Ų | 108.2 | 73% | 0.732 | 74% | 0.738 | S | S | * | * | | | trans | 114.6 | 55.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G46 G50 | G46-G48 PolarHBondContact O-N 3.14Å; G46-G48 VanDerWaalsContact O-N 3.12Å; G48-G50 PolarHBondContact O-N 2.88Å |
| 49 | G | 37.4 | Very low | 37 | Very low | 82 Ų | 82 | 108.2 Ų | 108.2 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | | | trans | -63.1 | 88.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | C51 | G49-C51 PolarHBondContact O-N 2.93Š|
| 50 | G | 38.1 | Very low | 36.8 | Very low | 67 Ų | 67 | 112.7 Ų | 112.7 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | | | trans | -66.5 | 99.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | G48 T52 | G48-G50 PolarHBondContact O-N 2.88Å; G50-T52 PolarHBondContact O-N 3.15Å |
| 51 | C | 38.2 | Very low | 36.7 | Very low | 72 Ų | 72 | 110.4 Ų | 110.4 | 49% | 0.486 | 75% | 0.754 | S | S | . | * | | | trans | -66.1 | 122.8 | 166 | 167.5 | 0 | 0 | 0 | 0 | 109.6 | G49 C56 | G49-C51 PolarHBondContact O-N 2.93Å; C51-C56 HydrophobicContact CB-CB 3.81Å; C51-C56 WeakPolarHBondContact CB-SG 3.26Å; C51-C56 WeakPolarHBondContact SG-CB 3.43Å; C51-C56 CovalentContact SG-SG 1.97Å; C51-C56 PolarHBondContact SG-SG 3.2Å |
| 52 | T | 44.2 | Very low | 36.5 | Very low | 112 Ų | 112 | 111.7 Ų | 111.7 | 69% | 0.687 | 77% | 0.767 | S | S | * | * | | | trans | -107 | 103.8 | 169.7 | 41.6 | 0 | 0 | 0 | 0 | 108.8 | G50 | G50-T52 PolarHBondContact O-N 3.15Š|
| 53 | G | 39.8 | Very low | 36.3 | Very low | 49 Ų | 49 | 103.1 Ų | 103.1 | 51% | 0.505 | 75% | 0.752 | S | S | . | * | S | Bend | trans | 170.1 | 144.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | D55 C56 | G53-D55 PolarHBondContact O-N 3.28Å; G53-D55 VanDerWaalsContact O-N 3.16Å; G53-C56 PolarHBondContact O-N 3.09Å |
| 54 | S | 44.3 | Very low | 36.4 | Very low | 128 Ų | 128 | 111.2 Ų | 111.2 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -14.7 | 177.4 | -57.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 55 | D | 38.2 | Very low | 36.1 | Very low | 156 Ų | 156 | 107.2 Ų | 107.2 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | 10.1 | -177.9 | -57 | -54.9 | 0 | 0 | 0 | 113.9 | G53 G57 | G53-D55 PolarHBondContact O-N 3.28Å; G53-D55 VanDerWaalsContact O-N 3.16Å; D55-G57 PolarHBondContact O-N 3.31Å |
| 56 | C | 42.2 | Very low | 36 | Very low | 86 Ų | 86 | 105.6 Ų | 105.6 | 58% | 0.581 | 76% | 0.755 | S | S | * | * | | | trans | -79.4 | 58.5 | 166.9 | -88.5 | 0 | 0 | 0 | 0 | 112.5 | C51 G53 | C51-C56 HydrophobicContact CB-CB 3.81Å; C51-C56 WeakPolarHBondContact CB-SG 3.26Å; C51-C56 WeakPolarHBondContact SG-CB 3.43Å; C51-C56 CovalentContact SG-SG 1.97Å; C51-C56 PolarHBondContact SG-SG 3.2Å; G53-C56 PolarHBondContact O-N 3.09Å |
| 57 | G | 33.1 | Very low | 35.7 | Very low | 72 Ų | 72 | 105.9 Ų | 105.9 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | | | trans | -82.1 | 130.4 | 154.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | D55 | D55-G57 PolarHBondContact O-N 3.31Š|
| 58 | G | 32.3 | Very low | 35.2 | Very low | 62 Ų | 62 | 97.8 Ų | 97.8 | 64% | 0.639 | 74% | 0.738 | S | S | * | * | | | trans | 110.7 | 43.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y60 | G58-Y60 PolarHBondContact O-N 3.4Š|
| 59 | G | 30.9 | Very low | 35.5 | Very low | 78 Ų | 78 | 100.7 Ų | 100.7 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | | | trans | -87 | 84.8 | 155.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | G61 | G59-G61 VanDerWaalsContact C-N 3.28Å; G59-G61 PolarHBondContact O-N 3Å |
| 60 | Y | 37.2 | Very low | 35.3 | Very low | 239 Ų | 239 | 99.9 Ų | 99.9 | 94% | 0.937 | 74% | 0.739 | S | S | * | * | | | trans | -65.9 | 90.3 | 163.6 | -68.8 | -93.1 | 0 | 0 | 0 | 107.9 | G58 | G58-Y60 PolarHBondContact O-N 3.4Š|
| 61 | G | 30.6 | Very low | 35.2 | Very low | 70 Ų | 70 | 99.5 Ų | 99.5 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | | | trans | 178.6 | 96.3 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | G59 | G59-G61 VanDerWaalsContact C-N 3.28Å; G59-G61 PolarHBondContact O-N 3Å |
| 62 | G | 28.3 | Very low | 35.3 | Very low | 89 Ų | 89 | 104.1 Ų | 104.1 | 92% | 0.918 | 76% | 0.755 | S | S | * | * | | | trans | 74.4 | 87.1 | 138.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 63 | G | 31.4 | Very low | 34.9 | Very low | 62 Ų | 62 | 102.7 Ų | 102.7 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | | | trans | 176.8 | 100.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | G65 | G63-G65 PolarHBondContact O-N 3.49Š|
| 64 | Y | 38.6 | Very low | 34.4 | Very low | 253 Ų | 253 | 103.3 Ų | 103.3 | 99% | 0.992 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -60.1 | 88.9 | 166.2 | -63.1 | -94.3 | 0 | 0 | 0 | 107.5 | | |
| 65 | G | 29.8 | Very low | 34.3 | Very low | 68 Ų | 68 | 104.4 Ų | 104.4 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | | | trans | 176.2 | 32.3 | -168.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G63 | G63-G65 PolarHBondContact O-N 3.49Š|
| 66 | G | 31.6 | Very low | 34.3 | Very low | 83 Ų | 83 | 108.3 Ų | 108.3 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | | | trans | -60.7 | 132.4 | 154.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 67 | G | 28.9 | Very low | 33.8 | Very low | 71 Ų | 71 | 107.7 Ų | 107.7 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | | | cis | 135.3 | 108.5 | 39.8 | 0 | 0 | 0 | 0 | 0 | 104 | | |
| 68 | C | 28.4 | Very low | 33.7 | Very low | 84 Ų | 84 | 108.3 Ų | 108.3 | 57% | 0.568 | 77% | 0.77 | S | S | * | * | | | trans | -134.4 | 80.2 | 162.6 | -81 | 0 | 0 | 0 | 0 | 107.8 | C73 | C68-C73 HydrophobicContact CB-CB 3.38Å; C68-C73 WeakPolarHBondContact CB-SG 3.1Å; C68-C73 WeakPolarHBondContact SG-CB 3.14Å; C68-C73 CovalentContact SG-SG 2Å; C68-C73 PolarHBondContact SG-SG 3.12Å |
| 69 | S | 41.2 | Very low | 33.6 | Very low | 131 Ų | 131 | 108.4 Ų | 108.4 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | | | trans | -82.5 | 106.2 | 159.2 | -178.8 | 0 | 0 | 0 | 0 | 106.3 | | |
| 70 | G | 34.7 | Very low | 34 | Very low | 65 Ų | 65 | 116.9 Ų | 116.9 | 67% | 0.67 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 103.5 | 108 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 71 | G | 34.4 | Very low | 33.8 | Very low | 60 Ų | 60 | 108.8 Ų | 108.8 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 67.9 | 106.3 | 157.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 72 | D | 40.8 | Very low | 33.9 | Very low | 168 Ų | 168 | 108.6 Ų | 108.6 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | | | trans | 64.9 | 62.3 | 152.5 | -48.3 | -40.1 | 0 | 0 | 0 | 116.8 | | |
| 73 | C | 36.8 | Very low | 34.3 | Very low | 82 Ų | 82 | 112.4 Ų | 112.4 | 55% | 0.554 | 77% | 0.768 | S | S | * | * | | | trans | -101.7 | 77.5 | 163.4 | -65.3 | 0 | 0 | 0 | 0 | 111.7 | C68 | C68-C73 HydrophobicContact CB-CB 3.38Å; C68-C73 WeakPolarHBondContact CB-SG 3.1Å; C68-C73 WeakPolarHBondContact SG-CB 3.14Å; C68-C73 CovalentContact SG-SG 2Å; C68-C73 PolarHBondContact SG-SG 3.12Å |
| 74 | G | 29.4 | Very low | 34.3 | Very low | 63 Ų | 63 | 113.9 Ų | 113.9 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | | | | 71.4 | 72.3 | 120.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | Y76 | G74-Y76 PolarHBondContact O-N 3.14Å; G74-Y76 VanDerWaalsContact O-N 3.11Å |
| 75 | N | 42.3 | Very low | 34.3 | Very low | 151 Ų | 151 | 110.2 Ų | 110.2 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | | | | 15.2 | 83.2 | 119.3 | -165.5 | 20.1 | 0 | 0 | 0 | 116.8 | | |
| 76 | Y | 38 | Very low | 34.3 | Very low | 237 Ų | 237 | 109.6 Ų | 109.6 | 93% | 0.929 | 76% | 0.759 | S | S | * | * | | | trans | -160.1 | 76 | 147.2 | -80.1 | -68.7 | 0 | 0 | 0 | 108.8 | G74 | G74-Y76 PolarHBondContact O-N 3.14Å; G74-Y76 VanDerWaalsContact O-N 3.11Å |
| 77 | G | 31.1 | Very low | 34.6 | Very low | 74 Ų | 74 | 109.5 Ų | 109.5 | 76% | 0.763 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -178.2 | 48.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 78 | G | 30.9 | Very low | 35 | Very low | 84 Ų | 84 | 113.5 Ų | 113.5 | 87% | 0.866 | 76% | 0.762 | S | S | * | * | | | trans | 34.5 | 91.9 | 152.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 79 | G | 31.2 | Very low | 35.4 | Very low | 65 Ų | 65 | 114 Ų | 114 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | | | trans | -165.9 | 96.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | G81 | G79-G81 VanDerWaalsContact C-N 3.3Å; G79-G81 PolarHBondContact O-N 3.12Å |
| 80 | Y | 38 | Very low | 34.9 | Very low | 256 Ų | 256 | 110.3 Ų | 110.3 | 100% | 1.004 | 75% | 0.748 | S | S | * | * | | | trans | -59.8 | 95.9 | 171.9 | -65.1 | -92.8 | 0 | 0 | 0 | 108.6 | | |
| 81 | G | 34.3 | Very low | 35.2 | Very low | 68 Ų | 68 | 114.7 Ų | 114.7 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | | | trans | 178.1 | 59.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | G79 | G79-G81 VanDerWaalsContact C-N 3.3Å; G79-G81 PolarHBondContact O-N 3.12Å |
| 82 | G | 31.8 | Very low | 35.1 | Very low | 66 Ų | 66 | 122.9 Ų | 122.9 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | | | trans | -50.7 | 142.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | C84 | G82-C84 PolarHBondContact O-N 2.97Š|
| 83 | D | 35.8 | Very low | 34.6 | Very low | 170 Ų | 170 | 118.9 Ų | 118.9 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | | | trans | -46.7 | 104.9 | 170.7 | -54.6 | -78.5 | 0 | 0 | 0 | 110 | | |
| 84 | C | 32.8 | Very low | 34.1 | Very low | 93 Ų | 93 | 118.2 Ų | 118.2 | 63% | 0.628 | 78% | 0.775 | S | S | * | * | | | trans | -116.5 | 89.8 | 166 | -129.8 | 0 | 0 | 0 | 0 | 108.3 | G82 G86 C89 | G82-C84 PolarHBondContact O-N 2.97Å; C84-G86 PolarHBondContact O-N 3.2Å; C84-C89 WeakPolarHBondContact CB-SG 3.34Å; C84-C89 PolarHBondContact SG-SG 3.19Å |
| 85 | N | 37.4 | Very low | 33.9 | Very low | 175 Ų | 175 | 118.6 Ų | 118.6 | 94% | 0.936 | 78% | 0.779 | S | S | * | * | | | trans | -78.3 | 99.1 | 178.8 | -157.9 | -10.4 | 0 | 0 | 0 | 108 | | |
| 86 | G | 31.3 | Very low | 33.3 | Very low | 56 Ų | 56 | 122.4 Ų | 122.4 | 58% | 0.577 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 127.2 | 106.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | C84 D88 | C84-G86 PolarHBondContact O-N 3.2Å; G86-D88 VanDerWaalsContact C-N 3.27Å; G86-D88 PolarHBondContact O-N 3.32Å |
| 87 | G | 38.2 | Very low | 32.7 | Very low | 80 Ų | 80 | 114.6 Ų | 114.6 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 66 | -47.5 | 139.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 88 | D | 36 | Very low | 32.4 | Very low | 155 Ų | 155 | 115.3 Ų | 115.3 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | | | trans | -139.7 | 43.9 | -153 | -67.4 | -55.1 | 0 | 0 | 0 | 113.4 | G86 G90 | G86-D88 VanDerWaalsContact C-N 3.27Å; G86-D88 PolarHBondContact O-N 3.32Å; D88-G90 PolarHBondContact O-N 3.11Å |
| 89 | C | 37.3 | Very low | 32.1 | Very low | 95 Ų | 95 | 114.7 Ų | 114.7 | 64% | 0.642 | 78% | 0.776 | S | S | * | * | | | trans | -78.8 | 70.4 | 159.5 | -71.4 | 0 | 0 | 0 | 0 | 109.6 | C84 N91 | C84-C89 WeakPolarHBondContact CB-SG 3.34Å; C84-C89 PolarHBondContact SG-SG 3.19Å; C89-N91 PolarHBondContact O-N 3.34Å |
| 90 | G | 31.6 | Very low | 32.2 | Very low | 53 Ų | 53 | 120 Ų | 120 | 55% | 0.546 | 79% | 0.789 | S | S | . | * | | | trans | -60.4 | 117.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | D88 | D88-G90 PolarHBondContact O-N 3.11Š|
| 91 | N | 39.1 | Very low | 31.8 | Very low | 157 Ų | 157 | 111.5 Ų | 111.5 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | | | | 60.5 | 67.1 | 128 | -142.1 | 26.8 | 0 | 0 | 0 | 116.7 | C89 | C89-N91 PolarHBondContact O-N 3.34Š|
| 92 | Y | 33.8 | Very low | 31.7 | Very low | 233 Ų | 233 | 111.7 Ų | 111.7 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | | | trans | -139.5 | 113.2 | 155.7 | -72.6 | -79.8 | 0 | 0 | 0 | 111.1 | | |
| 93 | G | 29.7 | Very low | 31.8 | Very low | 83 Ų | 83 | 112.5 Ų | 112.5 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 105.3 | 95 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 94 | G | 26.3 | Very low | 31.8 | Very low | 69 Ų | 69 | 108.9 Ų | 108.9 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | cis | 119.4 | 96 | 42.5 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 95 | G | 26.1 | Very low | 32.1 | Very low | 70 Ų | 70 | 110.3 Ų | 110.3 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | | | trans | -170.9 | 71.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G97 | G95-G97 PolarHBondContact O-N 2.89Š|
| 96 | Y | 28 | Very low | 32.2 | Very low | 232 Ų | 232 | 106.1 Ų | 106.1 | 91% | 0.91 | 79% | 0.786 | S | S | * | * | | | trans | -40.4 | 117.6 | 170 | -26.2 | -89.7 | 0 | 0 | 0 | 111.5 | | |
| 97 | G | 25.3 | Very low | 32.3 | Very low | 73 Ų | 73 | 105.9 Ų | 105.9 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | | | trans | 163.5 | 107.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | G95 | G95-G97 PolarHBondContact O-N 2.89Š|
| 98 | G | 25.1 | Very low | 32.3 | Very low | 89 Ų | 89 | 109.9 Ų | 109.9 | 92% | 0.918 | 79% | 0.786 | S | S | * | * | | | trans | -65.9 | 155.5 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 99 | G | 26.2 | Very low | 32.6 | Very low | 71 Ų | 71 | 107.6 Ų | 107.6 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | | | trans | 151.7 | 112.7 | 172 | 0 | 0 | 0 | 0 | 0 | 109.1 | G101 | G99-G101 PolarHBondContact O-N 3.02Å; G99-G101 VanDerWaalsContact O-N 3.1Å |
| 100 | N | 31.3 | Very low | 32.4 | Very low | 176 Ų | 176 | 106.4 Ų | 106.4 | 94% | 0.941 | 79% | 0.785 | S | S | * | * | | | trans | -27.8 | 112.9 | 170.6 | -70.2 | -18.2 | 0 | 0 | 0 | 111.2 | | |
| 101 | G | 31.2 | Very low | 32.4 | Very low | 77 Ų | 77 | 107.2 Ų | 107.2 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | | 93.9 | 100.5 | 65.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | G99 | G99-G101 PolarHBondContact O-N 3.02Å; G99-G101 VanDerWaalsContact O-N 3.1Å |
| 102 | G | 31 | Very low | 32.2 | Very low | 72 Ų | 72 | 103.3 Ų | 103.3 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | | | trans | 106 | 106.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | C104 | G102-C104 PolarHBondContact O-N 3.38Š|
| 103 | G | 35.3 | Very low | 32.3 | Very low | 83 Ų | 83 | 100.9 Ų | 100.9 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | | | trans | -59 | 122.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S105 | G103-S105 PolarHBondContact O-N 3.33Å; G103-S105 VanDerWaalsContact O-N 3.16Å |
| 104 | C | 34.5 | Very low | 32.7 | Very low | 94 Ų | 94 | 103.3 Ų | 103.3 | 64% | 0.635 | 78% | 0.777 | S | S | * | * | | | trans | -82.6 | 85.3 | 165.2 | -66.9 | 0 | 0 | 0 | 0 | 108.7 | G102 G106 C109 | G102-C104 PolarHBondContact O-N 3.38Å; C104-G106 PolarHBondContact O-N 3.19Å; C104-C109 WeakPolarHBondContact CB-SG 2.87Å; C104-C109 VanDerWaalsContact SG-SG 3.67Å |
| 105 | S | 40 | Very low | 33.3 | Very low | 123 Ų | 123 | 109 Ų | 109 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | -72.7 | 105.8 | 165.4 | 72.1 | 0 | 0 | 0 | 0 | 108.9 | G103 | G103-S105 PolarHBondContact O-N 3.33Å; G103-S105 VanDerWaalsContact O-N 3.16Å |
| 106 | G | 38.4 | Very low | 33.9 | Very low | 87 Ų | 87 | 109.5 Ų | 109.5 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 96.2 | 18.3 | 153.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | C104 | C104-G106 PolarHBondContact O-N 3.19Š|
| 107 | G | 34.9 | Very low | 34.2 | Very low | 51 Ų | 51 | 106.9 Ų | 106.9 | 53% | 0.526 | 78% | 0.776 | S | S | . | * | S | Bend | trans | -157.7 | 123 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | C109 | G107-C109 PolarHBondContact O-N 3.01Å; G107-C109 VanDerWaalsContact O-N 3.15Å |
| 108 | N | 36.6 | Very low | 34.7 | Very low | 165 Ų | 165 | 108.9 Ų | 108.9 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | | | trans | 3.6 | 92.6 | 165 | -60.9 | 11.4 | 0 | 0 | 0 | 115.4 | G110 | N108-G110 PolarHBondContact O-N 2.8Š|
| 109 | C | 42.8 | Very low | 35.3 | Very low | 106 Ų | 106 | 108.1 Ų | 108.1 | 72% | 0.716 | 76% | 0.761 | S | S | * | * | | | trans | -73.6 | 73 | 157.7 | -61.5 | 0 | 0 | 0 | 0 | 108.2 | C104 G107 | C104-C109 WeakPolarHBondContact CB-SG 2.87Å; C104-C109 VanDerWaalsContact SG-SG 3.67Å; G107-C109 PolarHBondContact O-N 3.01Å; G107-C109 VanDerWaalsContact O-N 3.15Å |
| 110 | G | 33.2 | Very low | 35.6 | Very low | 71 Ų | 71 | 110.3 Ų | 110.3 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | | | trans | -79.7 | 131.2 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | N108 | N108-G110 PolarHBondContact O-N 2.8Š|
| 111 | G | 32 | Very low | 35.6 | Very low | 70 Ų | 70 | 113.1 Ų | 113.1 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | trans | 94.5 | 66.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 112 | G | 35 | Very low | 35.6 | Very low | 74 Ų | 74 | 112.2 Ų | 112.2 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | | | trans | -125.8 | 60.6 | 153.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | D114 | G112-D114 PolarHBondContact O-N 3.17Š|
| 113 | F | 36 | Very low | 35.6 | Very low | 182 Ų | 182 | 112 Ų | 112 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | | | trans | -68.6 | 108 | 159.1 | -69.2 | -84.6 | 0 | 0 | 0 | 104.7 | E115 | F113-E115 VanDerWaalsContact C-N 3.33Å; F113-E115 PolarHBondContact O-N 2.79Å |
| 114 | D | 37 | Very low | 35.8 | Very low | 134 Ų | 134 | 115.1 Ų | 115.1 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | | | trans | -58.8 | 103.9 | 164.2 | -87.7 | -53.8 | 0 | 0 | 0 | 106.6 | G112 A116 F117 | G112-D114 PolarHBondContact O-N 3.17Å; D114-A116 PolarHBondContact O-N 3.27Å; D114-F117 PolarHBondContact O-N 2.88Å |
| 115 | E | 38.4 | Very low | 35.8 | Very low | 189 Ų | 189 | 120.5 Ų | 120.5 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | -11.4 | 178.3 | -138.3 | 96.9 | -158.6 | 0 | 0 | 113 | F113 | F113-E115 VanDerWaalsContact C-N 3.33Å; F113-E115 PolarHBondContact O-N 2.79Å |
| 116 | A | 39.8 | Very low | 35.7 | Very low | 80 Ų | 80 | 118.3 Ų | 118.3 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -14.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D114 | D114-A116 PolarHBondContact O-N 3.27Š|
| 117 | F | 33.4 | Very low | 35.6 | Very low | 177 Ų | 177 | 121.5 Ų | 121.5 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | | | trans | -131.6 | 99.7 | 177 | -79.1 | -85.6 | 0 | 0 | 0 | 111.1 | D114 A119 | D114-F117 PolarHBondContact O-N 2.88Å; F117-A119 PolarHBondContact O-N 2.98Å; F117-A119 VanDerWaalsContact O-N 3.09Å |
| 118 | P | 36.4 | Very low | 35.7 | Very low | 115 Ų | 115 | 122.3 Ų | 122.3 | 75% | 0.747 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 116.5 | 162.1 | -16.1 | 28.7 | 0 | 0 | 0 | 108.1 | P120 | P118-P120 WeakPolarHBondContact O-CD 2.97Å; P118-P120 VanDerWaalsContact O-N 3.14Å |
| 119 | A | 37 | Very low | 35.6 | Very low | 73 Ų | 73 | 117.6 Ų | 117.6 | 60% | 0.603 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 119.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | F117 Y121 | F117-A119 PolarHBondContact O-N 2.98Å; F117-A119 VanDerWaalsContact O-N 3.09Å; A119-Y121 PolarHBondContact O-N 3.11Å; A119-Y121 VanDerWaalsContact O-N 3.14Å |
| 120 | P | 32.8 | Very low | 35.2 | Very low | 118 Ų | 118 | 119.1 Ų | 119.1 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -67.5 | 118.3 | 177.6 | 25.9 | -30.5 | 0 | 0 | 0 | 108.2 | P118 | P118-P120 WeakPolarHBondContact O-CD 2.97Å; P118-P120 VanDerWaalsContact O-N 3.14Å |
| 121 | Y | 32.1 | Very low | 35.5 | Very low | 234 Ų | 234 | 119.1 Ų | 119.1 | 92% | 0.918 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 58.1 | 104.4 | 168.5 | -78.3 | -94.8 | 0 | 0 | 0 | 116.4 | A119 | A119-Y121 PolarHBondContact O-N 3.11Å; A119-Y121 VanDerWaalsContact O-N 3.14Å |
| 122 | G | 31.7 | Very low | 35.7 | Very low | 59 Ų | 59 | 125.2 Ų | 125.2 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | | | trans | 102.5 | 26.4 | 148.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | D124 | G122-D124 PolarHBondContact O-N 2.95Š|
| 123 | G | 30.4 | Very low | 35.9 | Very low | 68 Ų | 68 | 124.9 Ų | 124.9 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | | | trans | -70.3 | 37.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 124 | D | 39.2 | Very low | 35.9 | Very low | 147 Ų | 147 | 125.9 Ų | 125.9 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | | | trans | -112.2 | 49 | 168.9 | -74.5 | -34.2 | 0 | 0 | 0 | 110.3 | G122 | G122-D124 PolarHBondContact O-N 2.95Š|
| 125 | Y | 35 | Very low | 35.8 | Very low | 208 Ų | 208 | 123.2 Ų | 123.2 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | | | trans | -138.4 | 36 | 169.3 | -65.3 | -76.6 | 0 | 0 | 0 | 112.1 | N127 | Y125-N127 PolarHBondContact O-N 3.01Å; Y125-N127 VanDerWaalsContact O-N 3.09Å |
| 126 | G | 37.3 | Very low | 35.5 | Very low | 77 Ų | 77 | 117.6 Ų | 117.6 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | | | trans | -79.7 | 64.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | G128 | G126-G128 PolarHBondContact O-N 3.15Š|
| 127 | N | 35.8 | Very low | 35.2 | Very low | 153 Ų | 153 | 119.5 Ų | 119.5 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | -59.7 | 99.9 | 159.2 | -92.6 | -21.1 | 0 | 0 | 0 | 105.7 | Y125 G129 | Y125-N127 PolarHBondContact O-N 3.01Å; Y125-N127 VanDerWaalsContact O-N 3.09Å; N127-G129 PolarHBondContact O-N 3.33Å |
| 128 | G | 37.2 | Very low | 35.2 | Very low | 69 Ų | 69 | 121 Ų | 121 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | trans | -46.9 | 111.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108 | G126 N130 | G126-G128 PolarHBondContact O-N 3.15Å; G128-N130 PolarHBondContact O-N 3.46Å |
| 129 | G | 35.7 | Very low | 35.1 | Very low | 66 Ų | 66 | 118.1 Ų | 118.1 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | | | trans | -51.5 | 139.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | N127 G131 | N127-G129 PolarHBondContact O-N 3.33Å; G129-G131 VanDerWaalsContact C-N 3.31Å; G129-G131 PolarHBondContact O-N 3.48Å |
| 130 | N | 34.6 | Very low | 34.7 | Very low | 137 Ų | 137 | 121.2 Ų | 121.2 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | | | trans | -51.9 | 101.7 | 169.9 | -69.3 | -3.5 | 0 | 0 | 0 | 107.4 | G128 F132 | G128-N130 PolarHBondContact O-N 3.46Å; N130-F132 VanDerWaalsContact C-N 3.35Å; N130-F132 PolarHBondContact O-N 3.26Å |
| 131 | G | 38.3 | Very low | 34.7 | Very low | 72 Ų | 72 | 123.4 Ų | 123.4 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | | | trans | -63.2 | 97.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | G129 G133 | G129-G131 VanDerWaalsContact C-N 3.31Å; G129-G131 PolarHBondContact O-N 3.48Å; G131-G133 PolarHBondContact O-N 2.73Å |
| 132 | F | 37.3 | Very low | 34.7 | Very low | 197 Ų | 197 | 123 Ų | 123 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | | | trans | -69.6 | 76.4 | 152.1 | -67.3 | -82.7 | 0 | 0 | 0 | 106.2 | N130 K134 | N130-F132 VanDerWaalsContact C-N 3.35Å; N130-F132 PolarHBondContact O-N 3.26Å; F132-K134 PolarHBondContact O-N 2.95Å |
| 133 | G | 38.8 | Very low | 34.7 | Very low | 67 Ų | 67 | 123.2 Ų | 123.2 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | | | trans | -56 | 107.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | G131 G135 | G131-G133 PolarHBondContact O-N 2.73Å; G133-G135 PolarHBondContact O-N 3.11Å |
| 134 | K | 35.3 | Very low | 35 | Very low | 204 Ų | 204 | 129.6 Ų | 129.6 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | | | trans | -52.4 | 116.1 | 167.8 | -79.8 | -175.6 | 176 | 177.7 | 0 | 105.5 | F132 G136 | F132-K134 PolarHBondContact O-N 2.95Å; K134-G136 PolarHBondContact O-N 2.8Å; K134-G136 VanDerWaalsContact O-N 3.12Å |
| 135 | G | 35.3 | Very low | 34.8 | Very low | 77 Ų | 77 | 125.8 Ų | 125.8 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | -44.5 | 123.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | G133 | G133-G135 PolarHBondContact O-N 3.11Š|
| 136 | G | 32.6 | Very low | 34.8 | Very low | 71 Ų | 71 | 126.5 Ų | 126.5 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | | | trans | -49.5 | 144.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K134 K138 | K134-G136 PolarHBondContact O-N 2.8Å; K134-G136 VanDerWaalsContact O-N 3.12Å; G136-K138 PolarHBondContact O-N 3.42Å; G136-K138 VanDerWaalsContact O-N 3.14Å |
| 137 | S | 34.1 | Very low | 34.4 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | -29.3 | 113.6 | 170.6 | -49.9 | 0 | 0 | 0 | 0 | 111.9 | G139 | S137-G139 PolarHBondContact O-N 3.27Š|
| 138 | K | 32.7 | Very low | 34.1 | Very low | 207 Ų | 207 | 122.9 Ų | 122.9 | 90% | 0.9 | 78% | 0.778 | S | S | * | * | | | trans | -66.8 | 92.3 | 155.9 | -96.8 | -177.5 | 179.2 | 172.4 | 0 | 106.2 | G136 N140 | G136-K138 PolarHBondContact O-N 3.42Å; G136-K138 VanDerWaalsContact O-N 3.14Å; K138-N140 PolarHBondContact O-N 3.45Å |
| 139 | G | 33.1 | Very low | 33.7 | Very low | 55 Ų | 55 | 123 Ų | 123 | 57% | 0.567 | 78% | 0.78 | S | S | * | * | | | trans | -52.4 | 129.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | S137 | S137-G139 PolarHBondContact O-N 3.27Š|
| 140 | N | 28.7 | Very low | 33.8 | Very low | 139 Ų | 139 | 126.6 Ų | 126.6 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | | | trans | 24.3 | 106 | 137.8 | -50.2 | 13.3 | 0 | 0 | 0 | 114.8 | K138 | K138-N140 PolarHBondContact O-N 3.45Š|
| 141 | N | 32.6 | Very low | 33.8 | Very low | 163 Ų | 163 | 123.2 Ų | 123.2 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | | | trans | -132.7 | 104.8 | 147.6 | -107.3 | -5.2 | 0 | 0 | 0 | 109.2 | G143 | N141-G143 PolarHBondContact O-N 3.4Å; N141-G143 VanDerWaalsContact O-N 3.11Å |
| 142 | Y | 32.8 | Very low | 33.8 | Very low | 225 Ų | 225 | 129.8 Ų | 129.8 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | | | trans | -46 | 110.4 | 159.5 | -72.1 | -95.8 | 0 | 0 | 0 | 109 | | |
| 143 | G | 32.8 | Very low | 33.7 | Very low | 65 Ų | 65 | 123.4 Ų | 123.4 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | | | trans | -155 | 91 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | N141 G145 | N141-G143 PolarHBondContact O-N 3.4Å; N141-G143 VanDerWaalsContact O-N 3.11Å; G143-G145 PolarHBondContact O-N 2.69Å |
| 144 | K | 36.1 | Very low | 33.5 | Very low | 201 Ų | 201 | 129.9 Ų | 129.9 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | -62.1 | 80.4 | 158.1 | -81 | -177.6 | 172.4 | 179.4 | 0 | 107.8 | Y146 | K144-Y146 PolarHBondContact O-N 3.16Š|
| 145 | G | 35.7 | Very low | 33.7 | Very low | 68 Ų | 68 | 124.1 Ų | 124.1 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | | | trans | -92.2 | 86.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | G143 G147 | G143-G145 PolarHBondContact O-N 2.69Å; G145-G147 PolarHBondContact O-N 1.97Å |
| 146 | Y | 34.6 | Very low | 33.7 | Very low | 222 Ų | 222 | 124.6 Ų | 124.6 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | | | trans | -69.3 | 118.6 | 157.8 | -77.3 | -93.3 | 0 | 0 | 0 | 107.3 | K144 | K144-Y146 PolarHBondContact O-N 3.16Š|
| 147 | G | 29.3 | Very low | 33.7 | Very low | 75 Ų | 75 | 124.7 Ų | 124.7 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 92 | 143.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G145 | G145-G147 PolarHBondContact O-N 1.97Š|
| 148 | G | 28.5 | Very low | 33.9 | Very low | 79 Ų | 79 | 129.5 Ų | 129.5 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | | | trans | 116.2 | 98.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 149 | G | 29.5 | Very low | 34.3 | Very low | 73 Ų | 73 | 123.4 Ų | 123.4 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | | | trans | 92.7 | 117.5 | 132.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G151 | G149-G151 PolarHBondContact O-N 3.35Š|
| 150 | S | 36.7 | Very low | 34.4 | Very low | 140 Ų | 140 | 124.3 Ų | 124.3 | 98% | 0.979 | 81% | 0.814 | S | S | * | * | | | trans | -52.6 | 75.1 | 149.4 | -46.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 151 | G | 34.2 | Very low | 34.9 | Very low | 66 Ų | 66 | 127.8 Ų | 127.8 | 68% | 0.68 | 82% | 0.823 | S | S | * | * | | | trans | -103.5 | 84.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | G149 | G149-G151 PolarHBondContact O-N 3.35Š|
| 152 | K | 38.8 | Very low | 35.5 | Very low | 210 Ų | 210 | 123.2 Ų | 123.2 | 91% | 0.913 | 81% | 0.814 | S | S | * | * | | | trans | -128.4 | 69.6 | 148.1 | -83.1 | -171.6 | 179.9 | 175.6 | 0 | 108.1 | | |
| 153 | G | 36.2 | Very low | 35.7 | Very low | 63 Ų | 63 | 116 Ų | 116 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | | | trans | -63.8 | 167 | 144.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 154 | K | 32.9 | Very low | 35.9 | Very low | 204 Ų | 204 | 123 Ų | 123 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | | | trans | 86.8 | 102 | 171.6 | -50.8 | -169.5 | -179.8 | -172 | 0 | 112.2 | | |
| 155 | G | 40.2 | Very low | 36.4 | Very low | 83 Ų | 83 | 116.9 Ų | 116.9 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | | | cis | 68.3 | 105 | 32.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 156 | G | 35.6 | Very low | 36.5 | Very low | 87 Ų | 87 | 117.2 Ų | 117.2 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | | | trans | 138.7 | 104.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 157 | G | 32.4 | Very low | 36.7 | Very low | 72 Ų | 72 | 112.7 Ų | 112.7 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | | | cis | 160.6 | 134.1 | 12.7 | 0 | 0 | 0 | 0 | 0 | 103.7 | G159 | G157-G159 PolarHBondContact O-N 3.32Š|
| 158 | K | 37.6 | Very low | 37.4 | Very low | 223 Ų | 223 | 118 Ų | 118 | 97% | 0.97 | 81% | 0.811 | S | S | * | * | | | trans | -61.8 | 101.4 | -176.6 | -68.9 | 176.6 | 175.3 | 178.8 | 0 | 109.7 | G160 | K158-G160 PolarHBondContact O-N 3.02Š|
| 159 | G | 42 | Very low | 37.8 | Very low | 78 Ų | 78 | 122.5 Ų | 122.5 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -70.9 | 117.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | G157 | G157-G159 PolarHBondContact O-N 3.32Š|
| 160 | G | 35.7 | Very low | 38.6 | Very low | 75 Ų | 75 | 123.8 Ų | 123.8 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | trans | -67.7 | 167.3 | -167.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | K158 G162 | K158-G160 PolarHBondContact O-N 3.02Å; G160-G162 PolarHBondContact O-N 2.83Å |
| 161 | K | 38.6 | Very low | 38.8 | Very low | 212 Ų | 212 | 121.3 Ų | 121.3 | 92% | 0.922 | 79% | 0.785 | S | S | * | * | | | trans | -54.6 | 110.8 | 179.9 | -64 | 179 | 176.6 | -179.7 | 0 | 111.1 | G163 | K161-G163 PolarHBondContact O-N 2.95Š|
| 162 | G | 45.2 | Very low | 39.1 | Very low | 67 Ų | 67 | 127.3 Ų | 127.3 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | | | trans | -61.5 | 121.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | G160 | G160-G162 PolarHBondContact O-N 2.83Š|
| 163 | G | 36.6 | Very low | 39.2 | Very low | 73 Ų | 73 | 127.6 Ų | 127.6 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | | | trans | -60.4 | 150.7 | -174 | 0 | 0 | 0 | 0 | 0 | 113.3 | K161 G165 | K161-G163 PolarHBondContact O-N 2.95Å; G163-G165 PolarHBondContact O-N 2.89Å; G163-G165 VanDerWaalsContact O-N 3.08Å |
| 164 | K | 38.1 | Very low | 39 | Very low | 213 Ų | 213 | 127.7 Ų | 127.7 | 93% | 0.926 | 79% | 0.793 | S | S | * | * | | | trans | -57.5 | 112.4 | 175.6 | -67.3 | -179.1 | 176.7 | -178.4 | 0 | 109.1 | G166 | K164-G166 PolarHBondContact O-N 2.83Å; K164-G166 VanDerWaalsContact O-N 3.16Å |
| 165 | G | 45.8 | Very low | 38.9 | Very low | 71 Ų | 71 | 122 Ų | 122 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | | | trans | -56 | 118.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | G163 T167 | G163-G165 PolarHBondContact O-N 2.89Å; G163-G165 VanDerWaalsContact O-N 3.08Å; G165-T167 PolarHBondContact O-N 3.12Å |
| 166 | G | 38 | Very low | 38.8 | Very low | 75 Ų | 75 | 121 Ų | 121 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | trans | -58.2 | 127.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | K164 Y168 | K164-G166 PolarHBondContact O-N 2.83Å; K164-G166 VanDerWaalsContact O-N 3.16Å; G166-Y168 PolarHBondContact O-N 2.94Å |
| 167 | T | 38.9 | Very low | 39.3 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | | | trans | -59.5 | 109.5 | 171.1 | -53 | 0 | 0 | 0 | 0 | 108.6 | G165 K169 | G165-T167 PolarHBondContact O-N 3.12Å; T167-K169 PolarHBondContact O-N 3.43Å; T167-K169 VanDerWaalsContact O-N 3.11Å |
| 168 | Y | 43.4 | Very low | 39.6 | Very low | 188 Ų | 188 | 134.3 Ų | 134.3 | 74% | 0.737 | 80% | 0.799 | S | S | * | * | | | trans | -65.4 | 109.3 | 166.3 | -177.7 | -100.9 | 0 | 0 | 0 | 107.7 | G166 P170 | G166-Y168 PolarHBondContact O-N 2.94Å; Y168-P170 HydrophobicContact CE1-CB 4.32Å; Y168-P170 WeakPolarHBondContact O-CD 2.81Å |
| 169 | K | 38.2 | Very low | 39.8 | Very low | 173 Ų | 173 | 129.6 Ų | 129.6 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 117.2 | 165.2 | -71.7 | -167.2 | -179 | -175.4 | 0 | 106.8 | T167 S171 | T167-K169 PolarHBondContact O-N 3.43Å; T167-K169 VanDerWaalsContact O-N 3.11Å; K169-S171 PolarHBondContact O-N 3.11Å; K169-S171 VanDerWaalsContact O-N 3.11Å |
| 170 | P | 45.9 | Very low | 39.6 | Very low | 99 Ų | 99 | 132.5 Ų | 132.5 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 121.1 | 170.1 | -9.8 | 20.4 | 0 | 0 | 0 | 108 | Y168 H172 | Y168-P170 HydrophobicContact CE1-CB 4.32Å; Y168-P170 WeakPolarHBondContact O-CD 2.81Å; P170-H172 PolarHBondContact O-N 2Å |
| 171 | S | 40.7 | Very low | 39.9 | Very low | 88 Ų | 88 | 135.9 Ų | 135.9 | 62% | 0.615 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 120.3 | 172.2 | -49.5 | 0 | 0 | 0 | 0 | 108.2 | K169 Y173 | K169-S171 PolarHBondContact O-N 3.11Å; K169-S171 VanDerWaalsContact O-N 3.11Å; S171-Y173 VanDerWaalsContact C-N 3.28Å; S171-Y173 PolarHBondContact O-N 2.75Å |
| 172 | H | 40.5 | Very low | 39.9 | Very low | 193 Ų | 193 | 131.1 Ų | 131.1 | 89% | 0.894 | 78% | 0.782 | S | S | * | * | | | trans | -60.9 | 92.5 | 163.6 | -73.8 | -66.4 | 0 | 0 | 0 | 108.5 | P170 G174 | P170-H172 PolarHBondContact O-N 2Å; H172-G174 WeakPolarHBondContact O-CA 3.09Å |
| 173 | Y | 40.2 | Very low | 39.6 | Very low | 216 Ų | 216 | 135.4 Ų | 135.4 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | | | trans | -74.8 | 106.1 | 150.5 | -84.7 | -89.9 | 0 | 0 | 0 | 105.4 | S171 | S171-Y173 VanDerWaalsContact C-N 3.28Å; S171-Y173 PolarHBondContact O-N 2.75Å |
| 174 | G | 32 | Very low | 39.8 | Very low | 65 Ų | 65 | 139.9 Ų | 139.9 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | | | cis | 76.7 | 71.2 | 14.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | H172 | H172-G174 WeakPolarHBondContact O-CA 3.09Š|
| 175 | G | 31.9 | Very low | 39.9 | Very low | 84 Ų | 84 | 134.2 Ų | 134.2 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | | | trans | 107.1 | 119.7 | 152.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 176 | G | 37.4 | Very low | 39.4 | Very low | 63 Ų | 63 | 139.5 Ų | 139.5 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | | | trans | 174.1 | 80.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 177 | Y | 46.3 | Very low | 39.6 | Very low | 303 Ų | 303 | 145.4 Ų | 145.4 | 100% | 1.188 | 79% | 0.786 | S | S | * | * | | | trans | -21 | 0 | 170.9 | 42.5 | -90.2 | 0 | 0 | 0 | 116.8 | | |