| 1 | M | 59.9 | Low | 73.1 | Confident | 224 Ų | 224 | 134.3 Ų | 134.3 | 100% | 1.103 | 67% | 0.672 | S | S | * | * | | | | 0 | -10 | 0 | -76.8 | 105.4 | 142.7 | 0 | 0 | 115.9 | | |
| 2 | A | 64.8 | Low | 73.4 | Confident | 80 Ų | 80 | 128 Ų | 128 | 66% | 0.661 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -79.3 | -21.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | W4 M5 | A2-W4 PolarHBondContact O-N 3.4Å; A2-M5 PolarHBondContact O-N 3.49Å |
| 3 | L | 64.5 | Low | 73.4 | Confident | 149 Ų | 149 | 127 Ų | 127 | 78% | 0.78 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -68.2 | -36.1 | -176 | -66.8 | 170.5 | 0 | 0 | 0 | 112.4 | M5 R6 L7 | L3-M5 VanDerWaalsContact C-N 3.35Å; L3-M5 PolarHBondContact O-N 3.22Å; L3-R6 PolarHBondContact O-N 3.31Å; L3-L7 WeakPolarHBondContact O-CB 3.39Å; L3-L7 PolarHBondContact O-N 3.25Å |
| 4 | W | 74.6 | Confident | 72.8 | Confident | 189 Ų | 189 | 125.8 Ų | 125.8 | 72% | 0.716 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -66 | -35.3 | 177.6 | -92.1 | 46.9 | 0 | 0 | 0 | 113 | A2 R6 L7 L8 | A2-W4 PolarHBondContact O-N 3.4Å; W4-R6 PolarHBondContact O-N 2.94Å; W4-L7 PolarHBondContact O-N 3.47Å; W4-L8 PolarHBondContact O-N 3.3Å |
| 5 | M | 74.6 | Confident | 72.3 | Confident | 142 Ų | 142 | 121 Ų | 121 | 70% | 0.7 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70 | -19.2 | 178.2 | -60.4 | -56.3 | -74.6 | 0 | 0 | 113 | A2 L3 P9 | A2-M5 PolarHBondContact O-N 3.49Å; L3-M5 VanDerWaalsContact C-N 3.35Å; L3-M5 PolarHBondContact O-N 3.22Å; M5-P9 WeakPolarHBondContact O-CD 3.43Å; M5-P9 WeakPolarHBondContact O-CG 3.4Å |
| 6 | R | 76.7 | Confident | 71.6 | Confident | 195 Ų | 195 | 123.4 Ų | 123.4 | 74% | 0.736 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -93.9 | -33.8 | 173.3 | -112.3 | 174 | 159 | 165.1 | -6.2 | 112.2 | L3 W4 P9 L10 | L3-R6 PolarHBondContact O-N 3.31Å; W4-R6 PolarHBondContact O-N 2.94Å; R6-P9 WeakPolarHBondContact O-CD 3.45Å; R6-P9 WeakPolarHBondContact O-CG 3.46Å; R6-L10 WeakPolarHBondContact O-CB 3.01Å; R6-L10 WeakPolarHBondContact O-CD1 3.23Å; R6-L10 WeakPolarHBondContact O-CG 3.39Å; R6-L10 PolarHBondContact O-N 3.3Å |
| 7 | L | 78.6 | Confident | 70.4 | Confident | 107 Ų | 107 | 128.1 Ų | 128.1 | 56% | 0.56 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -67.4 | -41.1 | 179.2 | -161.8 | 78.2 | 0 | 0 | 0 | 111.8 | L3 W4 L10 L11 | L3-L7 WeakPolarHBondContact O-CB 3.39Å; L3-L7 PolarHBondContact O-N 3.25Å; W4-L7 PolarHBondContact O-N 3.47Å; L7-L10 PolarHBondContact O-N 2.82Å; L7-L11 VanDerWaalsContact O-CB 3.31Å; L7-L11 WeakPolarHBondContact O-CB 3.35Å; L7-L11 PolarHBondContact O-N 2.82Å |
| 8 | L | 78.9 | Confident | 68.9 | Low | 103 Ų | 103 | 127.4 Ų | 127.4 | 54% | 0.539 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -58.6 | -53 | 178.5 | -80.7 | 165.5 | 0 | 0 | 0 | 113.7 | W4 L10 L11 A12 | W4-L8 PolarHBondContact O-N 3.3Å; L8-L10 VanDerWaalsContact C-N 3.35Å; L8-L11 PolarHBondContact O-N 3.38Å; L8-A12 WeakPolarHBondContact O-CB 3.48Å; L8-A12 PolarHBondContact O-N 2.9Å |
| 9 | P | 80 | Confident | 67.6 | Low | 74 Ų | 74 | 126.6 Ų | 126.6 | 48% | 0.481 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -69.1 | -31.1 | 176.9 | 23.7 | -31.7 | 0 | 0 | 0 | 112.7 | M5 R6 L13 | M5-P9 WeakPolarHBondContact O-CD 3.43Å; M5-P9 WeakPolarHBondContact O-CG 3.4Å; R6-P9 WeakPolarHBondContact O-CD 3.45Å; R6-P9 WeakPolarHBondContact O-CG 3.46Å; P9-L13 VanDerWaalsContact O-CB 3.23Å; P9-L13 WeakPolarHBondContact O-CB 3.32Å; P9-L13 PolarHBondContact O-N 2.82Å |
| 10 | L | 76.7 | Confident | 66.4 | Low | 100 Ų | 100 | 126.8 Ų | 126.8 | 52% | 0.524 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -65.8 | -42.3 | 172.9 | -86.5 | 164.8 | 0 | 0 | 0 | 112 | R6 L7 L8 L13 L14 | R6-L10 WeakPolarHBondContact O-CB 3.01Å; R6-L10 WeakPolarHBondContact O-CD1 3.23Å; R6-L10 WeakPolarHBondContact O-CG 3.39Å; R6-L10 PolarHBondContact O-N 3.3Å; L7-L10 PolarHBondContact O-N 2.82Å; L8-L10 VanDerWaalsContact C-N 3.35Å; L10-L13 PolarHBondContact O-N 3.39Å; L10-L14 WeakPolarHBondContact O-CB 3.19Å; L10-L14 WeakPolarHBondContact O-CD1 2.92Å; L10-L14 VanDerWaalsContact O-CG 3.32Å; L10-L14 WeakPolarHBondContact O-CG 2.96Å; L10-L14 PolarHBondContact O-N 3.05Å |
| 11 | L | 74.4 | Confident | 65.2 | Low | 114 Ų | 114 | 124.4 Ų | 124.4 | 60% | 0.597 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68.2 | -40.9 | 176.5 | -167.3 | 74.8 | 0 | 0 | 0 | 111 | L7 L8 L13 L14 A15 | L7-L11 VanDerWaalsContact O-CB 3.31Å; L7-L11 WeakPolarHBondContact O-CB 3.35Å; L7-L11 PolarHBondContact O-N 2.82Å; L8-L11 PolarHBondContact O-N 3.38Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L14 PolarHBondContact O-N 2.78Å; L11-A15 VanDerWaalsContact O-CB 3.29Å; L11-A15 WeakPolarHBondContact O-CB 3.35Å; L11-A15 PolarHBondContact O-N 3.36Å |
| 12 | A | 76.6 | Confident | 64.3 | Low | 59 Ų | 59 | 116.7 Ų | 116.7 | 49% | 0.488 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63.3 | -40.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L8 A15 L16 | L8-A12 WeakPolarHBondContact O-CB 3.48Å; L8-A12 PolarHBondContact O-N 2.9Å; A12-A15 PolarHBondContact O-N 2.71Å; A12-L16 VanDerWaalsContact O-CB 3.25Å; A12-L16 WeakPolarHBondContact O-CB 3.41Å; A12-L16 PolarHBondContact O-N 3.47Å |
| 13 | L | 73.6 | Confident | 63 | Low | 115 Ų | 115 | 122 Ų | 122 | 60% | 0.602 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.6 | -38.9 | 175.5 | -155.6 | 78.8 | 0 | 0 | 0 | 111.1 | P9 L10 L11 L16 W17 | P9-L13 VanDerWaalsContact O-CB 3.23Å; P9-L13 WeakPolarHBondContact O-CB 3.32Å; P9-L13 PolarHBondContact O-N 2.82Å; L10-L13 PolarHBondContact O-N 3.39Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L13-L16 PolarHBondContact O-N 3.35Å; L13-W17 WeakPolarHBondContact O-CA 3.36Å; L13-W17 WeakPolarHBondContact O-CB 3.25Å; L13-W17 PolarHBondContact O-N 2.85Å |
| 14 | L | 65.9 | Low | 61.5 | Low | 110 Ų | 110 | 117.3 Ų | 117.3 | 58% | 0.576 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.9 | -36.8 | 175.1 | -81 | 160.7 | 0 | 0 | 0 | 112.4 | L10 L11 W17 E18 | L10-L14 WeakPolarHBondContact O-CB 3.19Å; L10-L14 WeakPolarHBondContact O-CD1 2.92Å; L10-L14 VanDerWaalsContact O-CG 3.32Å; L10-L14 WeakPolarHBondContact O-CG 2.96Å; L10-L14 PolarHBondContact O-N 3.05Å; L11-L14 PolarHBondContact O-N 2.78Å; L14-W17 CarbonylContact O-C 3.54Å; L14-W17 VanDerWaalsContact O-C 3.27Å; L14-E18 WeakPolarHBondContact O-CA 3.31Å; L14-E18 WeakPolarHBondContact O-CG 3.35Å; L14-E18 PolarHBondContact O-N 3.43Å |
| 15 | A | 64.6 | Low | 59.9 | Low | 54 Ų | 54 | 115.4 Ų | 115.4 | 45% | 0.446 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -73.8 | -34.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L11 A12 E18 | L11-A15 VanDerWaalsContact O-CB 3.29Å; L11-A15 WeakPolarHBondContact O-CB 3.35Å; L11-A15 PolarHBondContact O-N 3.36Å; A12-A15 PolarHBondContact O-N 2.71Å; A15-E18 WeakPolarHBondContact O-CB 3.46Å; A15-E18 PolarHBondContact O-N 2.83Å |
| 16 | L | 60.4 | Low | 58 | Low | 159 Ų | 159 | 112.5 Ų | 112.5 | 83% | 0.832 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -79.8 | -29.1 | 174.9 | -147.4 | 78 | 0 | 0 | 0 | 111.9 | A12 L13 E18 | A12-L16 VanDerWaalsContact O-CB 3.25Å; A12-L16 WeakPolarHBondContact O-CB 3.41Å; A12-L16 PolarHBondContact O-N 3.47Å; L13-L16 PolarHBondContact O-N 3.35Å; L16-E18 VanDerWaalsContact C-N 3.28Å |
| 17 | W | 51.2 | Low | 56.3 | Low | 204 Ų | 204 | 107 Ų | 107 | 77% | 0.773 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -87.8 | 6.7 | 168.3 | -169.8 | -99.8 | 0 | 0 | 0 | 111.3 | L13 L14 P19 | L13-W17 WeakPolarHBondContact O-CA 3.36Å; L13-W17 WeakPolarHBondContact O-CB 3.25Å; L13-W17 PolarHBondContact O-N 2.85Å; L14-W17 CarbonylContact O-C 3.54Å; L14-W17 VanDerWaalsContact O-C 3.27Å; W17-P19 VanDerWaalsContact C-N 3.33Å; W17-P19 WeakPolarHBondContact O-CD 3.29Å |
| 18 | E | 45 | Very low | 54.3 | Low | 116 Ų | 116 | 108.3 Ų | 108.3 | 54% | 0.542 | 59% | 0.588 | S | S | . | * | | | trans | -58.2 | 109.4 | 169.4 | -91.5 | -177.1 | 93.2 | 0 | 0 | 103.5 | L14 A15 L16 N20 | L14-E18 WeakPolarHBondContact O-CA 3.31Å; L14-E18 WeakPolarHBondContact O-CG 3.35Å; L14-E18 PolarHBondContact O-N 3.43Å; A15-E18 WeakPolarHBondContact O-CB 3.46Å; A15-E18 PolarHBondContact O-N 2.83Å; L16-E18 VanDerWaalsContact C-N 3.28Å; E18-N20 PolarHBondContact O-N 2.7Å |
| 19 | P | 43.7 | Very low | 52.4 | Low | 111 Ų | 111 | 109.3 Ų | 109.3 | 72% | 0.721 | 59% | 0.589 | S | S | * | * | | | trans | -67.7 | 95.9 | 171.1 | 20.4 | -10.9 | 0 | 0 | 0 | 100.8 | W17 P21 | W17-P19 VanDerWaalsContact C-N 3.33Å; W17-P19 WeakPolarHBondContact O-CD 3.29Å; P19-P21 VanDerWaalsContact C-N 3.34Å; P19-P21 WeakPolarHBondContact O-CA 3.35Å; P19-P21 WeakPolarHBondContact O-CD 3.36Å |
| 20 | N | 42.6 | Very low | 50.5 | Low | 131 Ų | 131 | 113 Ų | 113 | 70% | 0.701 | 60% | 0.604 | S | S | * | * | | | trans | -20.3 | 100.5 | -177.1 | 174.4 | 16.1 | 0 | 0 | 0 | 105.7 | E18 A22 | E18-N20 PolarHBondContact O-N 2.7Å; N20-A22 PolarHBondContact O-N 2.6Å |
| 21 | P | 42.4 | Very low | 49.3 | Very low | 76 Ų | 76 | 114.2 Ų | 114.2 | 49% | 0.494 | 62% | 0.62 | S | S | . | * | | | trans | -66.1 | 92.8 | 178.1 | 24.7 | -29.6 | 0 | 0 | 0 | 100.3 | P19 Q23 | P19-P21 VanDerWaalsContact C-N 3.34Å; P19-P21 WeakPolarHBondContact O-CA 3.35Å; P19-P21 WeakPolarHBondContact O-CD 3.36Å; P21-Q23 PolarHBondContact O-N 2.57Å |
| 22 | A | 39.8 | Very low | 47.8 | Very low | 63 Ų | 63 | 111.6 Ų | 111.6 | 52% | 0.521 | 62% | 0.62 | S | S | . | * | | | trans | -67.1 | 83.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 100.4 | N20 A24 | N20-A22 PolarHBondContact O-N 2.6Å; A22-A24 HydrophobicContact CB-CB 3.84Å; A22-A24 CarbonylContact O-C 2.95Å; A22-A24 PolarHBondContact O-N 3.5Å |
| 23 | Q | 38.6 | Very low | 46.2 | Very low | 192 Ų | 192 | 114.7 Ų | 114.7 | 90% | 0.897 | 64% | 0.638 | S | S | * | * | | | trans | -60.2 | 64.7 | 143.7 | -66.2 | -170.5 | -95 | 0 | 0 | 105.3 | P21 | P21-Q23 PolarHBondContact O-N 2.57Š|
| 24 | A | 33.7 | Very low | 44.8 | Very low | 50 Ų | 50 | 117.4 Ų | 117.4 | 41% | 0.413 | 65% | 0.647 | S | S | . | * | | | trans | -147.4 | 64.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 98 | A22 V26 | A22-A24 HydrophobicContact CB-CB 3.84Å; A22-A24 CarbonylContact O-C 2.95Å; A22-A24 PolarHBondContact O-N 3.5Å; A24-V26 HydrophobicContact CB-CG2 3.27Å; A24-V26 WeakPolarHBondContact O-CG2 3.3Å; A24-V26 PolarHBondContact O-N 2.98Å |
| 25 | F | 40.7 | Very low | 43.9 | Very low | 149 Ų | 149 | 117.8 Ų | 117.8 | 65% | 0.654 | 65% | 0.65 | S | S | * | * | | | trans | -48.2 | 70.5 | 132.7 | -159 | -87.3 | 0 | 0 | 0 | 105.9 | N27 L102 | F25-N27 PolarHBondContact O-N 3.04Å; F25-N27 PolarHBondContact O-ND2 2.87Å; F25-L102 HydrophobicContact CE2-CD1 3.92Å; F25-L102 HydrophobicContact CZ-CD1 3.65Å; F25-L102 HydrophobicContact CZ-CG 4.11Å |
| 26 | V | 34.9 | Very low | 43.1 | Very low | 81 Ų | 81 | 121.6 Ų | 121.6 | 49% | 0.491 | 67% | 0.667 | S | S | . | * | | | trans | -79.4 | 94.5 | 179 | -172.3 | 0 | 0 | 0 | 0 | 102.4 | A24 Q28 | A24-V26 HydrophobicContact CB-CG2 3.27Å; A24-V26 WeakPolarHBondContact O-CG2 3.3Å; A24-V26 PolarHBondContact O-N 2.98Å; V26-Q28 HydrophobicContact CG1-CB 3.68Å; V26-Q28 HydrophobicContact CG1-CG 3.47Å; V26-Q28 VanDerWaalsContact CG1-CG 3.47Å; V26-Q28 PolarHBondContact O-N 2.71Å |
| 27 | N | 39.3 | Very low | 42.3 | Very low | 78 Ų | 78 | 121.3 Ų | 121.3 | 42% | 0.417 | 66% | 0.661 | S | S | . | * | | | trans | -50.9 | 74.7 | 155.4 | -68.3 | -74.4 | 0 | 0 | 0 | 109.4 | F25 I99 | F25-N27 PolarHBondContact O-N 3.04Å; F25-N27 PolarHBondContact O-ND2 2.87Å; N27-I99 HydrophobicContact CB-CG1 4.25Å; N27-I99 HydrophobicContact CB-CG2 4.38Å |
| 28 | Q | 37 | Very low | 42.1 | Very low | 135 Ų | 135 | 114.9 Ų | 114.9 | 63% | 0.631 | 65% | 0.651 | S | S | * | * | | | trans | -137.2 | 96.1 | 173 | -83.5 | 173.8 | 12.7 | 0 | 0 | 108.9 | V26 L30 | V26-Q28 HydrophobicContact CG1-CB 3.68Å; V26-Q28 HydrophobicContact CG1-CG 3.47Å; V26-Q28 VanDerWaalsContact CG1-CG 3.47Å; V26-Q28 PolarHBondContact O-N 2.71Å; Q28-L30 VanDerWaalsContact O-CD1 3.3Å; Q28-L30 WeakPolarHBondContact O-CD1 3.42Å; Q28-L30 PolarHBondContact O-N 3.43Å; Q28-L30 VanDerWaalsContact O-N 3.15Å |
| 29 | H | 39.3 | Very low | 42.2 | Very low | 124 Ų | 124 | 115.2 Ų | 115.2 | 57% | 0.574 | 66% | 0.657 | S | S | * | * | | | trans | 27 | 76.8 | 143.7 | -72.7 | -111.5 | 0 | 0 | 0 | 116.5 | C96 T97 | H29-C96 PolarHBondContact ND1-SG 2.74Å; H29-T97 PolarHBondContact CE1-N 3.11Å; H29-T97 PolarHBondContact NE2-N 3.05Å; H29-T97 VanDerWaalsContact NE2-N 3.17Å |
| 30 | L | 40.7 | Very low | 42.1 | Very low | 151 Ų | 151 | 119.7 Ų | 119.7 | 79% | 0.791 | 66% | 0.661 | S | S | * | * | | | trans | -124.4 | 83.7 | 170.6 | -79 | 140.6 | 0 | 0 | 0 | 109.6 | Q28 | Q28-L30 VanDerWaalsContact O-CD1 3.3Å; Q28-L30 WeakPolarHBondContact O-CD1 3.42Å; Q28-L30 PolarHBondContact O-N 3.43Å; Q28-L30 VanDerWaalsContact O-N 3.15Å |
| 31 | C | 51.3 | Low | 42.2 | Very low | 127 Ų | 127 | 120 Ų | 120 | 86% | 0.858 | 66% | 0.661 | S | S | * | * | | | trans | -60.5 | 126 | 150.6 | -175.5 | 0 | 0 | 0 | 0 | 108 | | |
| 32 | G | 42.5 | Very low | 42.5 | Very low | 58 Ų | 58 | 122.7 Ų | 122.7 | 60% | 0.598 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 128.8 | 99.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | H34 | G32-H34 PolarHBondContact O-N 3.06Š|
| 33 | S | 42.3 | Very low | 42.8 | Very low | 125 Ų | 125 | 122.5 Ų | 122.5 | 87% | 0.874 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 56.5 | 3.9 | 142 | 75.3 | 0 | 0 | 0 | 0 | 124.1 | | |
| 34 | H | 44.3 | Very low | 43.3 | Very low | 171 Ų | 171 | 116.2 Ų | 116.2 | 79% | 0.792 | 66% | 0.657 | S | S | * | * | | | trans | -127.1 | 26.9 | 171.1 | -118 | -77.2 | 0 | 0 | 0 | 114.6 | G32 | G32-H34 PolarHBondContact O-N 3.06Š|
| 35 | L | 47.8 | Very low | 43.7 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 62% | 0.623 | 68% | 0.682 | S | S | * | * | | | trans | -116.6 | 29.9 | -171.7 | -144.8 | 118.1 | 0 | 0 | 0 | 113.6 | L39 | L35-L39 HydrophobicContact CD2-CD1 4.07Š|
| 36 | V | 47.7 | Very low | 44 | Very low | 133 Ų | 133 | 125.1 Ų | 125.1 | 81% | 0.806 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -102.4 | -16.2 | 176 | 169.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 37 | E | 43.8 | Very low | 44.2 | Very low | 153 Ų | 153 | 124.6 Ų | 124.6 | 72% | 0.715 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -99.2 | -22.2 | -170.9 | -149.4 | 157 | -159.4 | 0 | 0 | 113.9 | | |
| 38 | A | 46.3 | Very low | 44.3 | Very low | 69 Ų | 69 | 128 Ų | 128 | 57% | 0.57 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -87.6 | -22.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | Y40 L41 | A38-Y40 VanDerWaalsContact C-N 3.28Å; A38-L41 PolarHBondContact O-N 3.15Å |
| 39 | L | 47.5 | Very low | 44.5 | Very low | 124 Ų | 124 | 130 Ų | 130 | 65% | 0.649 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -16.4 | 174.2 | -82.5 | 163.5 | 0 | 0 | 0 | 112.8 | L35 | L35-L39 HydrophobicContact CD2-CD1 4.07Š|
| 40 | Y | 42.3 | Very low | 44.5 | Very low | 205 Ų | 205 | 132.8 Ų | 132.8 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -25.7 | 174.7 | -151.8 | -95.1 | 0 | 0 | 0 | 112.6 | A38 | A38-Y40 VanDerWaalsContact C-N 3.28Š|
| 41 | L | 44.7 | Very low | 44.2 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 71% | 0.712 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -17.6 | -176.8 | -91.7 | 117 | 0 | 0 | 0 | 114.6 | A38 | A38-L41 PolarHBondContact O-N 3.15Š|
| 42 | V | 48 | Very low | 43.5 | Very low | 134 Ų | 134 | 128.5 Ų | 128.5 | 81% | 0.812 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -98.4 | 2.1 | -178.6 | -179.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 43 | C | 47 | Very low | 43 | Very low | 59 Ų | 59 | 135.5 Ų | 135.5 | 40% | 0.399 | 71% | 0.712 | S | S | . | * | S | Bend | trans | -99.7 | -2.6 | 160.7 | -135 | 0 | 0 | 0 | 0 | 112.4 | E45 R46 | C43-E45 PolarHBondContact O-N 2.73Å; C43-R46 PolarHBondContact O-N 2.98Å; C43-R46 PolarHBondContact SG-O 3.43Å |
| 44 | G | 48.9 | Very low | 42.8 | Very low | 60 Ų | 60 | 135.1 Ų | 135.1 | 62% | 0.619 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 46.2 | -96.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 45 | E | 42 | Very low | 42.4 | Very low | 198 Ų | 198 | 135.7 Ų | 135.7 | 93% | 0.925 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.8 | 4.9 | -173.7 | -54.1 | -157.4 | 178 | 0 | 0 | 114.3 | C43 | C43-E45 PolarHBondContact O-N 2.73Š|
| 46 | R | 47.1 | Very low | 42.1 | Very low | 187 Ų | 187 | 139.5 Ų | 139.5 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -108 | 74.6 | 172.8 | -67.6 | -164.1 | -177.1 | -161.3 | 2.9 | 108.9 | C43 F48 N110 | C43-R46 PolarHBondContact O-N 2.98Å; C43-R46 PolarHBondContact SG-O 3.43Å; R46-F48 PolarHBondContact O-N 2.78Å; R46-N110 PolarHBondContact NH1-O 2.84Å |
| 47 | G | 39.4 | Very low | 41.6 | Very low | 70 Ų | 70 | 136.5 Ų | 136.5 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | | | trans | -42.6 | 116.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F49 | G47-F49 PolarHBondContact O-N 2.85Å; G47-F49 VanDerWaalsContact O-N 3.11Å |
| 48 | F | 41.1 | Very low | 41.3 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 66% | 0.662 | 71% | 0.707 | S | S | * | * | | | trans | -78 | 101.2 | 169.7 | -159 | -94.7 | 0 | 0 | 0 | 107.3 | R46 Y50 | R46-F48 PolarHBondContact O-N 2.78Å; F48-Y50 HydrophobicContact CD1-CD2 4.27Å; F48-Y50 AromaticContact CE1-CD2 3.91Å; F48-Y50 HydrophobicContact CE1-CD2 3.91Å; F48-Y50 PolarHBondContact O-N 3.27Å |
| 49 | F | 40.1 | Very low | 40.7 | Very low | 175 Ų | 175 | 139.8 Ų | 139.8 | 77% | 0.768 | 72% | 0.718 | S | S | * | * | | | trans | -62.5 | 89.9 | 157.3 | -89.5 | -91.2 | 0 | 0 | 0 | 107.1 | G47 T51 | G47-F49 PolarHBondContact O-N 2.85Å; G47-F49 VanDerWaalsContact O-N 3.11Å; F49-T51 HydrophobicContact CD1-CG2 4.34Å; F49-T51 PolarHBondContact O-N 3.17Å |
| 50 | Y | 38.6 | Very low | 40.4 | Very low | 183 Ų | 183 | 141 Ų | 141 | 72% | 0.718 | 73% | 0.725 | S | S | * | * | | | trans | -68.3 | 76.6 | 156.4 | -161.7 | -92.7 | 0 | 0 | 0 | 106.5 | F48 P52 | F48-Y50 HydrophobicContact CD1-CD2 4.27Å; F48-Y50 AromaticContact CE1-CD2 3.91Å; F48-Y50 HydrophobicContact CE1-CD2 3.91Å; F48-Y50 PolarHBondContact O-N 3.27Å; Y50-P52 HydrophobicContact CD1-CB 4.34Å; Y50-P52 HydrophobicContact CD1-CG 4.44Å; Y50-P52 HydrophobicContact CE1-CB 3.9Å; Y50-P52 HydrophobicContact CE1-CG 4.39Å; Y50-P52 WeakPolarHBondContact O-CD 3.03Å |
| 51 | T | 36.1 | Very low | 40.6 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 62% | 0.62 | 71% | 0.713 | S | S | * | * | | | trans | -80.4 | 99.3 | 157.7 | 37.1 | 0 | 0 | 0 | 0 | 104.4 | F49 K53 | F49-T51 HydrophobicContact CD1-CG2 4.34Å; F49-T51 PolarHBondContact O-N 3.17Å; T51-K53 PolarHBondContact O-N 3.33Å |
| 52 | P | 35.6 | Very low | 40.1 | Very low | 87 Ų | 87 | 136.8 Ų | 136.8 | 57% | 0.565 | 72% | 0.716 | S | S | * | * | | | trans | -58.1 | 115.7 | 169.7 | 25.4 | -31.2 | 0 | 0 | 0 | 104.9 | Y50 S54 | Y50-P52 HydrophobicContact CD1-CB 4.34Å; Y50-P52 HydrophobicContact CD1-CG 4.44Å; Y50-P52 HydrophobicContact CE1-CB 3.9Å; Y50-P52 HydrophobicContact CE1-CG 4.39Å; Y50-P52 WeakPolarHBondContact O-CD 3.03Å; P52-S54 PolarHBondContact O-N 2.95Å |
| 53 | K | 32.5 | Very low | 39.5 | Very low | 205 Ų | 205 | 136.9 Ų | 136.9 | 89% | 0.891 | 72% | 0.717 | S | S | * | * | | | trans | -65.9 | 73.6 | 161.9 | -78.7 | -163.2 | -179.9 | 178.9 | 0 | 106.7 | T51 R55 | T51-K53 PolarHBondContact O-N 3.33Å; K53-R55 PolarHBondContact O-N 2.69Å |
| 54 | S | 37.4 | Very low | 39 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | | | trans | -70.2 | 76.2 | 155.1 | -170.6 | 0 | 0 | 0 | 0 | 105.9 | P52 | P52-S54 PolarHBondContact O-N 2.95Š|
| 55 | R | 37 | Very low | 38.6 | Very low | 182 Ų | 182 | 145 Ų | 145 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | | | trans | -143.8 | 88.5 | 160.8 | -138.8 | 175.9 | -165.1 | -139.7 | 12.9 | 110.8 | K53 | K53-R55 PolarHBondContact O-N 2.69Š|
| 56 | R | 42 | Very low | 38.4 | Very low | 200 Ų | 200 | 143.5 Ų | 143.5 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | | | | 90.9 | 121.3 | 129.2 | -73.3 | 172.4 | -167.5 | -163.8 | -8.4 | 116.9 | | |
| 57 | G | 35.7 | Very low | 38.2 | Very low | 70 Ų | 70 | 142 Ų | 142 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | | | trans | 124.2 | 111 | 154.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 58 | V | 38.4 | Very low | 38.4 | Very low | 118 Ų | 118 | 146.8 Ų | 146.8 | 72% | 0.715 | 75% | 0.749 | S | S | * | * | | | cis | -171.6 | 129.3 | 22 | 144.6 | 0 | 0 | 0 | 0 | 103 | | |
| 59 | E | 32.8 | Very low | 38.2 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | | | trans | 61.7 | 101.4 | 146.7 | -55.3 | 174.7 | 148.1 | 0 | 0 | 117.8 | | |
| 60 | D | 42 | Very low | 38 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | | | trans | -45.5 | 143.9 | 131.7 | -147.9 | -101.5 | 0 | 0 | 0 | 107.3 | | |
| 61 | P | 47.1 | Very low | 37.8 | Very low | 82 Ų | 82 | 134.3 Ų | 134.3 | 53% | 0.532 | 77% | 0.767 | S | S | . | * | | | | -159.3 | -175.6 | 50.7 | 35.9 | -9.7 | 0 | 0 | 0 | 116.7 | | |
| 62 | Q | 33.6 | Very low | 38.4 | Very low | 169 Ų | 169 | 136.1 Ų | 136.1 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | trans | 100.5 | 70.5 | 151.4 | -57.8 | 158.9 | 103.8 | 0 | 0 | 117.4 | | |
| 63 | V | 35.9 | Very low | 38.6 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | | | | -69.6 | 142.6 | 126.1 | -83.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 64 | T | 35.7 | Very low | 39.5 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | trans | 97.7 | 77 | 161.2 | -41.4 | 0 | 0 | 0 | 0 | 116.9 | | |
| 65 | Q | 41 | Very low | 40 | Very low | 163 Ų | 163 | 126.7 Ų | 126.7 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | | | | 33.6 | 115.2 | 114.3 | -170.6 | 177 | -46.3 | 0 | 0 | 118 | | |
| 66 | L | 37.9 | Very low | 40.4 | Very low | 166 Ų | 166 | 124.4 Ų | 124.4 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | | | trans | -160.4 | 102 | 135 | -96 | 136.6 | 0 | 0 | 0 | 110 | | |
| 67 | E | 42.4 | Very low | 40.6 | Very low | 155 Ų | 155 | 121.7 Ų | 121.7 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | | | trans | 32.8 | 112.1 | 133.4 | -62.7 | -79.5 | 95.7 | 0 | 0 | 118.8 | | |
| 68 | L | 43.5 | Very low | 41.1 | Very low | 172 Ų | 172 | 125 Ų | 125 | 90% | 0.901 | 77% | 0.765 | S | S | * | * | | | | 176.8 | 118.3 | 116.8 | -124.6 | 62.1 | 0 | 0 | 0 | 113.3 | | |
| 69 | G | 37.6 | Very low | 41.2 | Very low | 82 Ų | 82 | 123 Ų | 123 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | | | trans | 88.6 | 97.2 | 132.4 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 70 | G | 34.9 | Very low | 41.8 | Very low | 87 Ų | 87 | 119.9 Ų | 119.9 | 90% | 0.897 | 74% | 0.742 | S | S | * | * | | | | 100.3 | 115.9 | 121 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 71 | G | 34.8 | Very low | 41.9 | Very low | 77 Ų | 77 | 115.6 Ų | 115.6 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | | | trans | 111.7 | 152.2 | 141.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 72 | P | 48.5 | Very low | 41.8 | Very low | 139 Ų | 139 | 117.2 Ų | 117.2 | 90% | 0.903 | 73% | 0.731 | S | S | * | * | | | trans | -103.5 | 140.6 | -142.5 | 37.1 | -29.1 | 0 | 0 | 0 | 115 | | |
| 73 | G | 39.9 | Very low | 42.2 | Very low | 74 Ų | 74 | 114.6 Ų | 114.6 | 76% | 0.763 | 72% | 0.718 | S | S | * | * | | | trans | -178.3 | 69 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | G75 | G73-G75 PolarHBondContact O-N 2.9Š|
| 74 | A | 52.3 | Low | 42.7 | Very low | 93 Ų | 93 | 112.1 Ų | 112.1 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | | | trans | -84 | 104.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 75 | G | 46.2 | Very low | 43.1 | Very low | 46 Ų | 46 | 108.9 Ų | 108.9 | 47% | 0.474 | 69% | 0.689 | S | S | . | * | S | Bend | trans | -173 | -50.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G73 | G73-G75 PolarHBondContact O-N 2.9Š|
| 76 | D | 46 | Very low | 43.3 | Very low | 133 Ų | 133 | 107.3 Ų | 107.3 | 71% | 0.711 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -98.8 | -14 | -169.2 | -79.9 | -82.8 | 0 | 0 | 0 | 115.4 | L80 | D76-L80 WeakPolarHBondContact O-CG 3.48Š|
| 77 | L | 46.3 | Very low | 43.8 | Very low | 144 Ų | 144 | 107.7 Ų | 107.7 | 75% | 0.754 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -87.6 | -20.3 | -175.9 | -143.5 | 97.3 | 0 | 0 | 0 | 113.6 | A81 | L77-A81 VanDerWaalsContact O-CB 3.25Å; L77-A81 WeakPolarHBondContact O-CB 3.46Å; L77-A81 PolarHBondContact O-N 3.31Å; L77-A81 VanDerWaalsContact O-N 3.15Å |
| 78 | Q | 46.4 | Very low | 43.9 | Very low | 138 Ų | 138 | 108.8 Ų | 108.8 | 65% | 0.645 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -83.4 | -34.9 | -177.6 | -71.1 | 165 | 58.6 | 0 | 0 | 111.7 | L82 | Q78-L82 PolarHBondContact O-N 3.34Å; Q78-L82 VanDerWaalsContact O-N 3.1Å |
| 79 | T | 41.4 | Very low | 43.8 | Very low | 77 Ų | 77 | 110.5 Ų | 110.5 | 47% | 0.472 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -63.1 | -54.5 | 169.4 | 13.9 | 0 | 0 | 0 | 0 | 109.7 | A81 L82 E83 | T79-A81 VanDerWaalsContact C-N 3.26Å; T79-A81 PolarHBondContact O-N 3.23Å; T79-L82 PolarHBondContact O-N 3.29Å; T79-E83 WeakPolarHBondContact O-CG 3.17Å; T79-E83 PolarHBondContact O-N 3.08Å |
| 80 | L | 44.9 | Very low | 44 | Very low | 108 Ų | 108 | 108.3 Ų | 108.3 | 57% | 0.565 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -61.9 | -30 | -180 | -64.2 | 174.4 | 0 | 0 | 0 | 113.8 | D76 V84 | D76-L80 WeakPolarHBondContact O-CG 3.48Å; L80-V84 VanDerWaalsContact O-CB 3.3Å; L80-V84 WeakPolarHBondContact O-CB 3.13Å; L80-V84 WeakPolarHBondContact O-CG2 3.3Å; L80-V84 PolarHBondContact O-N 3.17Å |
| 81 | A | 44.6 | Very low | 44.5 | Very low | 60 Ų | 60 | 112.1 Ų | 112.1 | 50% | 0.496 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -73.4 | -33.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | L77 T79 A85 | L77-A81 VanDerWaalsContact O-CB 3.25Å; L77-A81 WeakPolarHBondContact O-CB 3.46Å; L77-A81 PolarHBondContact O-N 3.31Å; L77-A81 VanDerWaalsContact O-N 3.15Å; T79-A81 VanDerWaalsContact C-N 3.26Å; T79-A81 PolarHBondContact O-N 3.23Å; A81-A85 WeakPolarHBondContact O-CB 3.25Å; A81-A85 PolarHBondContact O-N 3.33Å |
| 82 | L | 43.6 | Very low | 44.9 | Very low | 116 Ų | 116 | 115 Ų | 115 | 61% | 0.607 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -68.9 | -38.3 | 173 | -142.8 | 80 | 0 | 0 | 0 | 110.9 | Q78 T79 A85 Q86 | Q78-L82 PolarHBondContact O-N 3.34Å; Q78-L82 VanDerWaalsContact O-N 3.1Å; T79-L82 PolarHBondContact O-N 3.29Å; L82-A85 PolarHBondContact O-N 3.48Å; L82-Q86 WeakPolarHBondContact O-CG 2.88Å; L82-Q86 PolarHBondContact O-N 2.69Å |
| 83 | E | 43.3 | Very low | 44.7 | Very low | 114 Ų | 114 | 112.5 Ų | 112.5 | 53% | 0.533 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -73.6 | -38.8 | -177.7 | -43.1 | -112.4 | 131 | 0 | 0 | 110.6 | T79 Q86 Q87 | T79-E83 WeakPolarHBondContact O-CG 3.17Å; T79-E83 PolarHBondContact O-N 3.08Å; E83-Q86 PolarHBondContact O-N 2.9Å; E83-Q87 PolarHBondContact O-N 3.39Å; E83-Q87 VanDerWaalsContact O-N 3.08Å |
| 84 | V | 46.2 | Very low | 44.8 | Very low | 85 Ų | 85 | 115.3 Ų | 115.3 | 52% | 0.515 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -74.4 | -29.8 | 175.4 | 174.2 | 0 | 0 | 0 | 0 | 112 | L80 Q86 K88 | L80-V84 VanDerWaalsContact O-CB 3.3Å; L80-V84 WeakPolarHBondContact O-CB 3.13Å; L80-V84 WeakPolarHBondContact O-CG2 3.3Å; L80-V84 PolarHBondContact O-N 3.17Å; V84-Q86 VanDerWaalsContact C-N 3.34Å; V84-K88 PolarHBondContact O-N 3.44Å |
| 85 | A | 43.7 | Very low | 44.6 | Very low | 57 Ų | 57 | 115.2 Ų | 115.2 | 47% | 0.471 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -71.7 | -27.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A81 L82 | A81-A85 WeakPolarHBondContact O-CB 3.25Å; A81-A85 PolarHBondContact O-N 3.33Å; L82-A85 PolarHBondContact O-N 3.48Å |
| 86 | Q | 45.8 | Very low | 44.4 | Very low | 131 Ų | 131 | 115.2 Ų | 115.2 | 61% | 0.612 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -78 | -30.1 | 173.4 | -80 | -178.8 | -84.4 | 0 | 0 | 113.2 | L82 E83 V84 K88 | L82-Q86 WeakPolarHBondContact O-CG 2.88Å; L82-Q86 PolarHBondContact O-N 2.69Å; E83-Q86 PolarHBondContact O-N 2.9Å; V84-Q86 VanDerWaalsContact C-N 3.34Å; Q86-K88 VanDerWaalsContact C-N 3.32Å |
| 87 | Q | 47.1 | Very low | 44.1 | Very low | 173 Ų | 173 | 113.6 Ų | 113.6 | 81% | 0.808 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -78.4 | -16.4 | 176.4 | -143.7 | 88.8 | 12.9 | 0 | 0 | 113.5 | E83 | E83-Q87 PolarHBondContact O-N 3.39Å; E83-Q87 VanDerWaalsContact O-N 3.08Å |
| 88 | K | 44.4 | Very low | 43.6 | Very low | 179 Ų | 179 | 109.5 Ų | 109.5 | 78% | 0.778 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | 18.3 | -179.3 | -80.5 | -168.6 | 176.1 | -170 | 0 | 114.2 | V84 Q86 G90 | V84-K88 PolarHBondContact O-N 3.44Å; Q86-K88 VanDerWaalsContact C-N 3.32Å; K88-G90 PolarHBondContact O-N 3.49Å |
| 89 | R | 40.9 | Very low | 43.3 | Very low | 208 Ų | 208 | 109.3 Ų | 109.3 | 79% | 0.785 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -92.1 | 90.9 | 161.4 | -86.7 | 175.6 | 172.1 | 163.6 | -2.4 | 109.4 | | |
| 90 | G | 42.3 | Very low | 43.5 | Very low | 35 Ų | 35 | 108.9 Ų | 108.9 | 36% | 0.361 | 59% | 0.59 | S | S | . | * | | | trans | 80.5 | 94.7 | 147.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | K88 V92 D93 | K88-G90 PolarHBondContact O-N 3.49Å; G90-V92 PolarHBondContact O-N 2.81Å; G90-D93 PolarHBondContact O-N 3.16Å |
| 91 | I | 45.8 | Very low | 43.4 | Very low | 167 Ų | 167 | 107.4 Ų | 107.4 | 86% | 0.856 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -13.5 | 146.3 | -159.8 | 161.8 | 0 | 0 | 0 | 111.4 | | |
| 92 | V | 43.8 | Very low | 43.3 | Very low | 137 Ų | 137 | 109.3 Ų | 109.3 | 83% | 0.83 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | 47.9 | 170.3 | -170.2 | 0 | 0 | 0 | 0 | 108.9 | G90 | G90-V92 PolarHBondContact O-N 2.81Š|
| 93 | D | 43.7 | Very low | 43.1 | Very low | 88 Ų | 88 | 113 Ų | 113 | 47% | 0.471 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -146.9 | 6.9 | 170.8 | -157.8 | 43.3 | 0 | 0 | 0 | 112.4 | G90 T97 | G90-D93 PolarHBondContact O-N 3.16Å; D93-T97 WeakPolarHBondContact O-CB 3.45Å; D93-T97 PolarHBondContact O-OG1 3.31Å |
| 94 | Q | 41.1 | Very low | 42.9 | Very low | 133 Ų | 133 | 114.8 Ų | 114.8 | 62% | 0.621 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -105.7 | -11.6 | -176.4 | -141.6 | 168 | 1.1 | 0 | 0 | 113.7 | C96 S98 | Q94-C96 CarbonylContact C-O 3.27Å; Q94-S98 PolarHBondContact O-N 3.01Å; Q94-S98 PolarHBondContact O-OG 2.86Å |
| 95 | C | 48.6 | Very low | 42.9 | Very low | 91 Ų | 91 | 116.5 Ų | 116.5 | 62% | 0.615 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -114.8 | -11.4 | 173.6 | -148.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 96 | C | 42.8 | Very low | 42.8 | Very low | 46 Ų | 46 | 119.8 Ų | 119.8 | 31% | 0.311 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -73.2 | 163.5 | 131.3 | -92 | 0 | 0 | 0 | 0 | 105.4 | H29 Q94 S98 | H29-C96 PolarHBondContact ND1-SG 2.74Å; Q94-C96 CarbonylContact C-O 3.27Å; C96-S98 VanDerWaalsContact C-N 3.28Å; C96-S98 PolarHBondContact O-N 3.46Å |
| 97 | T | 40.1 | Very low | 42.6 | Very low | 99 Ų | 99 | 120.3 Ų | 120.3 | 61% | 0.607 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 76.2 | -33.9 | 169 | -8.5 | 0 | 0 | 0 | 0 | 116.9 | H29 D93 | H29-T97 PolarHBondContact CE1-N 3.11Å; H29-T97 PolarHBondContact NE2-N 3.05Å; H29-T97 VanDerWaalsContact NE2-N 3.17Å; D93-T97 WeakPolarHBondContact O-CB 3.45Å; D93-T97 PolarHBondContact O-OG1 3.31Å |
| 98 | S | 35.8 | Very low | 42.4 | Very low | 58 Ų | 58 | 121.7 Ų | 121.7 | 41% | 0.406 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -142.7 | 127.1 | 165.2 | 57.9 | 0 | 0 | 0 | 0 | 112.7 | Q94 C96 C100 | Q94-S98 PolarHBondContact O-N 3.01Å; Q94-S98 PolarHBondContact O-OG 2.86Å; C96-S98 VanDerWaalsContact C-N 3.28Å; C96-S98 PolarHBondContact O-N 3.46Å; S98-C100 PolarHBondContact O-N 3.46Å; S98-C100 VanDerWaalsContact O-N 3.16Å |
| 99 | I | 39 | Very low | 42.4 | Very low | 134 Ų | 134 | 117.3 Ų | 117.3 | 69% | 0.687 | 61% | 0.614 | S | S | * | * | | | trans | -60 | 112.6 | -178.1 | -67.8 | 151.4 | 0 | 0 | 0 | 109.9 | N27 | N27-I99 HydrophobicContact CB-CG1 4.25Å; N27-I99 HydrophobicContact CB-CG2 4.38Å |
| 100 | C | 45.2 | Very low | 42.6 | Very low | 67 Ų | 67 | 117.1 Ų | 117.1 | 45% | 0.453 | 63% | 0.629 | S | S | . | * | | | trans | -99.2 | 119.5 | 167.4 | -63.9 | 0 | 0 | 0 | 0 | 109.5 | S98 | S98-C100 PolarHBondContact O-N 3.46Å; S98-C100 VanDerWaalsContact O-N 3.16Å |
| 101 | S | 43.2 | Very low | 42.6 | Very low | 77 Ų | 77 | 121.2 Ų | 121.2 | 54% | 0.538 | 64% | 0.642 | S | S | . | * | | | trans | -75.1 | 142 | -179.1 | 53.7 | 0 | 0 | 0 | 0 | 111.6 | Y103 Q104 | S101-Y103 PolarHBondContact O-N 3.35Å; S101-Q104 PolarHBondContact O-N 3.15Å |
| 102 | L | 41.7 | Very low | 42.4 | Very low | 101 Ų | 101 | 118.8 Ų | 118.8 | 53% | 0.529 | 63% | 0.631 | S | S | . | * | G | 310 helix | trans | -50.3 | -22.3 | 175.9 | -118.1 | -178.6 | 0 | 0 | 0 | 114.4 | F25 Q104 L105 E106 | F25-L102 HydrophobicContact CE2-CD1 3.92Å; F25-L102 HydrophobicContact CZ-CD1 3.65Å; F25-L102 HydrophobicContact CZ-CG 4.11Å; L102-Q104 PolarHBondContact O-N 3.1Å; L102-L105 HydrophobicContact CD2-CB 4.49Å; L102-L105 PolarHBondContact O-N 3.02Å; L102-L105 VanDerWaalsContact O-N 3.17Å; L102-E106 PolarHBondContact O-N 3.02Å |
| 103 | Y | 40.2 | Very low | 42.4 | Very low | 194 Ų | 194 | 117.8 Ų | 117.8 | 76% | 0.761 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -63.3 | -24.5 | -176.1 | -125 | -91.2 | 0 | 0 | 0 | 114.2 | S101 | S101-Y103 PolarHBondContact O-N 3.35Š|
| 104 | Q | 40.1 | Very low | 42.3 | Very low | 150 Ų | 150 | 119.5 Ų | 119.5 | 70% | 0.701 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -86.7 | -19.4 | 180 | -149.4 | 174.4 | -5 | 0 | 0 | 112.7 | S101 L102 | S101-Q104 PolarHBondContact O-N 3.15Å; L102-Q104 PolarHBondContact O-N 3.1Å |
| 105 | L | 45.8 | Very low | 42.4 | Very low | 122 Ų | 122 | 118.7 Ų | 118.7 | 64% | 0.639 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -26.7 | 177 | -142.4 | 75.2 | 0 | 0 | 0 | 111.7 | L102 N107 Y108 C109 | L102-L105 HydrophobicContact CD2-CB 4.49Å; L102-L105 PolarHBondContact O-N 3.02Å; L102-L105 VanDerWaalsContact O-N 3.17Å; L105-N107 VanDerWaalsContact C-N 3.26Å; L105-N107 PolarHBondContact O-N 3.17Å; L105-Y108 PolarHBondContact O-N 2.97Å; L105-Y108 VanDerWaalsContact O-N 3.08Å; L105-C109 PolarHBondContact O-N 3.01Å |
| 106 | E | 41.4 | Very low | 42 | Very low | 126 Ų | 126 | 120.5 Ų | 120.5 | 59% | 0.589 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -67 | -25.6 | 175.9 | -125.7 | 178.2 | 164.9 | 0 | 0 | 113 | L102 Y108 C109 | L102-E106 PolarHBondContact O-N 3.02Å; E106-Y108 PolarHBondContact O-N 3.08Å; E106-C109 PolarHBondContact O-N 3.46Å; E106-C109 VanDerWaalsContact O-O 3.13Å |
| 107 | N | 42.5 | Very low | 41.9 | Very low | 142 Ų | 142 | 125.9 Ų | 125.9 | 76% | 0.759 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -75.8 | -4.3 | 173.6 | -158.9 | 79.4 | 0 | 0 | 0 | 113.3 | L105 | L105-N107 VanDerWaalsContact C-N 3.26Å; L105-N107 PolarHBondContact O-N 3.17Å |
| 108 | Y | 40.9 | Very low | 42 | Very low | 201 Ų | 201 | 127.9 Ų | 127.9 | 79% | 0.788 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -111.4 | -6.6 | 173.2 | -86.3 | -83.6 | 0 | 0 | 0 | 113.3 | L105 E106 | L105-Y108 PolarHBondContact O-N 2.97Å; L105-Y108 VanDerWaalsContact O-N 3.08Å; E106-Y108 PolarHBondContact O-N 3.08Å |
| 109 | C | 45 | Very low | 42.6 | Very low | 87 Ų | 87 | 133.8 Ų | 133.8 | 59% | 0.588 | 68% | 0.677 | S | S | * | * | | | trans | -85.2 | 122.2 | 162.1 | -76 | 0 | 0 | 0 | 0 | 107.7 | L105 E106 | L105-C109 PolarHBondContact O-N 3.01Å; E106-C109 PolarHBondContact O-N 3.46Å; E106-C109 VanDerWaalsContact O-O 3.13Å |
| 110 | N | 45.7 | Very low | 42.9 | Very low | 204 Ų | 204 | 133.7 Ų | 133.7 | 100% | 1.091 | 68% | 0.676 | S | S | * | * | | | trans | -84.5 | 0 | 175.7 | -158.9 | 0.4 | 0 | 0 | 0 | 110.8 | R46 | R46-N110 PolarHBondContact NH1-O 2.84Š|