| 1 | M | 39.8 | Very low | 46.1 | Very low | 237 Ų | 237 | 147.8 Ų | 147.8 | 100% | 1.167 | 73% | 0.726 | S | S | * | * | | | | 0 | 92.1 | 0 | -67.5 | 174.6 | -82.6 | 0 | 0 | 107.9 | | |
| 2 | F | 36.6 | Very low | 47.7 | Very low | 207 Ų | 207 | 142.9 Ų | 142.9 | 91% | 0.908 | 71% | 0.711 | S | S | * | * | | | trans | -142.9 | 32 | -163.9 | -115.1 | -83 | 0 | 0 | 0 | 114.1 | | |
| 3 | K | 39.1 | Very low | 49.2 | Very low | 179 Ų | 179 | 140.5 Ų | 140.5 | 78% | 0.778 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -132.8 | -4.4 | 178.3 | -85.9 | -164.4 | 170.6 | -170 | 0 | 116.4 | | |
| 4 | F | 44 | Very low | 50.6 | Low | 188 Ų | 188 | 139.6 Ų | 139.6 | 83% | 0.825 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -95.5 | -13.7 | -176.9 | -88.8 | -85 | 0 | 0 | 0 | 115.4 | | |
| 5 | H | 45 | Very low | 52 | Low | 170 Ų | 170 | 142.3 Ų | 142.3 | 79% | 0.787 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -87.4 | -15.5 | -179.4 | -106.1 | 14 | 0 | 0 | 0 | 115.3 | | |
| 6 | V | 51.3 | Low | 53.5 | Low | 105 Ų | 105 | 140.1 Ų | 140.1 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -76.9 | -40.4 | 178.7 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | S8 V10 | V6-S8 PolarHBondContact O-N 2.8Å; V6-V10 PolarHBondContact O-N 3.46Å |
| 7 | L | 43.6 | Very low | 54.9 | Low | 125 Ų | 125 | 138.8 Ų | 138.8 | 65% | 0.654 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -68.6 | -30.7 | -177.8 | -70.6 | 169 | 0 | 0 | 0 | 113.3 | N11 | L7-N11 PolarHBondContact O-N 2.91Å |
| 8 | S | 47.9 | Very low | 56.3 | Low | 71 Ų | 71 | 140.8 Ų | 140.8 | 50% | 0.497 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -65.5 | -50.8 | 177.4 | -165 | 0 | 0 | 0 | 0 | 111.4 | V6 V10 N11 T12 | V6-S8 PolarHBondContact O-N 2.8Å; S8-V10 VanDerWaalsContact C-N 3.32Å; S8-V10 PolarHBondContact O-N 3.18Å; S8-N11 PolarHBondContact O-N 2.8Å; S8-N11 VanDerWaalsContact O-N 3.08Å; S8-T12 PolarHBondContact O-N 2.84Å; S8-T12 PolarHBondContact O-OG1 3.49Å |
| 9 | K | 48.8 | Very low | 57.5 | Low | 168 Ų | 168 | 139.3 Ų | 139.3 | 73% | 0.73 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -63.3 | -33.8 | -178.7 | -70.2 | -160.3 | 172.8 | -163.6 | 0 | 113.5 | L13 | K9-L13 WeakPolarHBondContact O-CB 3.29Å; K9-L13 PolarHBondContact O-N 3.26Å |
| 10 | V | 55.9 | Low | 58.7 | Low | 82 Ų | 82 | 135.9 Ų | 135.9 | 50% | 0.497 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -65.1 | -41.9 | 173.9 | 175.5 | 0 | 0 | 0 | 0 | 111 | V6 S8 L13 Q14 | V6-V10 PolarHBondContact O-N 3.46Å; S8-V10 VanDerWaalsContact C-N 3.32Å; S8-V10 PolarHBondContact O-N 3.18Å; V10-L13 PolarHBondContact O-N 3.49Å; V10-Q14 WeakPolarHBondContact O-CB 3.4Å; V10-Q14 PolarHBondContact O-N 3.11Å |
| 11 | N | 54.9 | Low | 59.7 | Low | 94 Ų | 94 | 130.9 Ų | 130.9 | 50% | 0.503 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -69.8 | -35.6 | 179.6 | -155.7 | 6.8 | 0 | 0 | 0 | 112.1 | L7 S8 R15 | L7-N11 PolarHBondContact O-N 2.91Å; S8-N11 PolarHBondContact O-N 2.8Å; S8-N11 VanDerWaalsContact O-N 3.08Å; N11-R15 WeakPolarHBondContact O-CG 3.41Å; N11-R15 PolarHBondContact O-N 2.64Å |
| 12 | T | 65.1 | Low | 61.5 | Low | 89 Ų | 89 | 123.8 Ų | 123.8 | 55% | 0.546 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63.1 | -46.5 | 170.3 | -45.1 | 0 | 0 | 0 | 0 | 111.4 | S8 Q14 R15 L16 | S8-T12 PolarHBondContact O-N 2.84Å; S8-T12 PolarHBondContact O-OG1 3.49Å; T12-Q14 VanDerWaalsContact C-N 3.32Å; T12-Q14 PolarHBondContact O-N 2.65Å; T12-R15 PolarHBondContact O-N 3.2Å; T12-L16 WeakPolarHBondContact O-CB 3.47Å; T12-L16 PolarHBondContact O-N 3.29Å |
| 13 | L | 67.4 | Low | 63.3 | Low | 111 Ų | 111 | 121.5 Ų | 121.5 | 58% | 0.581 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64 | -38.6 | 179.2 | -151.1 | 81.4 | 0 | 0 | 0 | 111.8 | K9 V10 L16 L17 | K9-L13 WeakPolarHBondContact O-CB 3.29Å; K9-L13 PolarHBondContact O-N 3.26Å; V10-L13 PolarHBondContact O-N 3.49Å; L13-L16 PolarHBondContact O-N 3.18Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 WeakPolarHBondContact O-CG 3.43Å; L13-L17 PolarHBondContact O-N 3.49Å |
| 14 | Q | 69.1 | Low | 64.9 | Low | 128 Ų | 128 | 118 Ų | 118 | 60% | 0.598 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.8 | -34.5 | 178 | -168.9 | 164.4 | -4.5 | 0 | 0 | 112.2 | V10 T12 Y18 | V10-Q14 WeakPolarHBondContact O-CB 3.4Å; V10-Q14 PolarHBondContact O-N 3.11Å; T12-Q14 VanDerWaalsContact C-N 3.32Å; T12-Q14 PolarHBondContact O-N 2.65Å; Q14-Y18 WeakPolarHBondContact O-CB 3.17Å; Q14-Y18 PolarHBondContact O-N 3.24Å |
| 15 | R | 72.2 | Confident | 66.3 | Low | 181 Ų | 181 | 112.7 Ų | 112.7 | 68% | 0.683 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67 | -40.3 | 168.4 | -77.9 | -176.4 | 171.6 | -160 | -5.7 | 112.5 | N11 T12 Y18 L19 | N11-R15 WeakPolarHBondContact O-CG 3.41Å; N11-R15 PolarHBondContact O-N 2.64Å; T12-R15 PolarHBondContact O-N 3.2Å; R15-Y18 PolarHBondContact O-N 3.38Å; R15-L19 WeakPolarHBondContact O-CG 3.13Å; R15-L19 PolarHBondContact O-N 3.2Å |
| 16 | L | 74.8 | Confident | 67.4 | Low | 106 Ų | 106 | 108.3 Ų | 108.3 | 56% | 0.555 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.7 | -42.7 | 176.5 | -150.7 | 80.5 | 0 | 0 | 0 | 111.1 | T12 L13 Y18 L19 V20 | T12-L16 WeakPolarHBondContact O-CB 3.47Å; T12-L16 PolarHBondContact O-N 3.29Å; L13-L16 PolarHBondContact O-N 3.18Å; L16-Y18 VanDerWaalsContact C-N 3.32Å; L16-Y18 PolarHBondContact O-N 3.41Å; L16-L19 PolarHBondContact O-N 2.65Å; L16-V20 WeakPolarHBondContact O-CB 3.13Å; L16-V20 WeakPolarHBondContact O-CG2 3.39Å; L16-V20 PolarHBondContact O-N 3.2Å |
| 17 | L | 77.9 | Confident | 68.1 | Low | 119 Ų | 119 | 106.7 Ų | 106.7 | 62% | 0.623 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.2 | -30.9 | 173.8 | -73.6 | 167 | 0 | 0 | 0 | 112.9 | L13 G21 | L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 WeakPolarHBondContact O-CG 3.43Å; L13-L17 PolarHBondContact O-N 3.49Å; L17-G21 WeakPolarHBondContact O-CA 3.38Å; L17-G21 PolarHBondContact O-N 3.43Å |
| 18 | Y | 80.7 | Confident | 68.6 | Low | 174 Ų | 174 | 103.1 Ų | 103.1 | 68% | 0.682 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -74.2 | -35.6 | 174.2 | -152 | -89.9 | 0 | 0 | 0 | 112.1 | Q14 R15 L16 G21 L22 | Q14-Y18 WeakPolarHBondContact O-CB 3.17Å; Q14-Y18 PolarHBondContact O-N 3.24Å; R15-Y18 PolarHBondContact O-N 3.38Å; L16-Y18 VanDerWaalsContact C-N 3.32Å; L16-Y18 PolarHBondContact O-N 3.41Å; Y18-G21 PolarHBondContact O-N 2.96Å; Y18-L22 HydrophobicContact CD1-CD1 3.89Å; Y18-L22 HydrophobicContact CD1-CG 4.4Å; Y18-L22 HydrophobicContact CE1-CD1 4.04Å; Y18-L22 HydrophobicContact CE1-CG 4.46Å; Y18-L22 WeakPolarHBondContact O-CB 3.29Å; Y18-L22 WeakPolarHBondContact O-CG 3.13Å; Y18-L22 PolarHBondContact O-N 3.2Å |
| 19 | L | 78.9 | Confident | 68.9 | Low | 112 Ų | 112 | 105.6 Ų | 105.6 | 59% | 0.586 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -71.4 | -42.5 | 173.8 | -73.7 | 168.2 | 0 | 0 | 0 | 112 | R15 L16 G21 L22 Y23 | R15-L19 WeakPolarHBondContact O-CG 3.13Å; R15-L19 PolarHBondContact O-N 3.2Å; L16-L19 PolarHBondContact O-N 2.65Å; L19-G21 VanDerWaalsContact C-N 3.3Å; L19-L22 PolarHBondContact O-N 3.2Å; L19-Y23 WeakPolarHBondContact O-CB 3.11Å; L19-Y23 PolarHBondContact O-N 3.11Å |
| 20 | V | 80.8 | Confident | 68.9 | Low | 72 Ų | 72 | 100.8 Ų | 100.8 | 44% | 0.436 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.3 | -35.7 | 171.1 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | L16 Y23 L24 | L16-V20 WeakPolarHBondContact O-CB 3.13Å; L16-V20 WeakPolarHBondContact O-CG2 3.39Å; L16-V20 PolarHBondContact O-N 3.2Å; V20-Y23 PolarHBondContact O-N 3.02Å; V20-L24 HydrophobicContact CG1-CD1 3.93Å; V20-L24 HydrophobicContact CG1-CG 4.36Å; V20-L24 WeakPolarHBondContact O-CB 3.46Å; V20-L24 VanDerWaalsContact O-CG 3.27Å; V20-L24 WeakPolarHBondContact O-CG 3.32Å; V20-L24 PolarHBondContact O-N 3.45Å |
| 21 | G | 79.3 | Confident | 68.4 | Low | 30 Ų | 30 | 101.9 Ų | 101.9 | 31% | 0.309 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.1 | -46.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L17 Y18 L19 L24 V25 | L17-G21 WeakPolarHBondContact O-CA 3.38Å; L17-G21 PolarHBondContact O-N 3.43Å; Y18-G21 PolarHBondContact O-N 2.96Å; L19-G21 VanDerWaalsContact C-N 3.3Å; G21-L24 PolarHBondContact O-N 3.32Å; G21-V25 WeakPolarHBondContact O-CB 3.37Å; G21-V25 VanDerWaalsContact O-CG2 3.29Å; G21-V25 WeakPolarHBondContact O-CG2 3.47Å; G21-V25 PolarHBondContact O-N 3.47Å |
| 22 | L | 77.6 | Confident | 67.6 | Low | 88 Ų | 88 | 107.7 Ų | 107.7 | 46% | 0.461 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 173.3 | -83 | 164.6 | 0 | 0 | 0 | 111.9 | Y18 L19 L24 V25 V26 | Y18-L22 HydrophobicContact CD1-CD1 3.89Å; Y18-L22 HydrophobicContact CD1-CG 4.4Å; Y18-L22 HydrophobicContact CE1-CD1 4.04Å; Y18-L22 HydrophobicContact CE1-CG 4.46Å; Y18-L22 WeakPolarHBondContact O-CB 3.29Å; Y18-L22 WeakPolarHBondContact O-CG 3.13Å; Y18-L22 PolarHBondContact O-N 3.2Å; L19-L22 PolarHBondContact O-N 3.2Å; L22-L24 VanDerWaalsContact C-N 3.34Å; L22-L24 PolarHBondContact O-N 3.22Å; L22-V25 CarbonylContact O-C 3.44Å; L22-V25 PolarHBondContact O-N 2.7Å; L22-V25 VanDerWaalsContact O-N 3.15Å; L22-V26 WeakPolarHBondContact O-CG2 3.39Å; L22-V26 PolarHBondContact O-N 2.95Å |
| 23 | Y | 74.9 | Confident | 66.2 | Low | 160 Ų | 160 | 108.2 Ų | 108.2 | 63% | 0.627 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.6 | -39.2 | 177.9 | -165.8 | -109.8 | 0 | 0 | 0 | 111.9 | L19 V20 V26 I27 | L19-Y23 WeakPolarHBondContact O-CB 3.11Å; L19-Y23 PolarHBondContact O-N 3.11Å; V20-Y23 PolarHBondContact O-N 3.02Å; Y23-V26 PolarHBondContact O-N 3.4Å; Y23-I27 HydrophobicContact CD1-CD1 3.69Å; Y23-I27 HydrophobicContact CE1-CD1 3.52Å; Y23-I27 HydrophobicContact CG-CD1 4.47Å; Y23-I27 WeakPolarHBondContact O-CB 3.5Å; Y23-I27 VanDerWaalsContact O-CG1 3.31Å; Y23-I27 WeakPolarHBondContact O-CG1 3.32Å; Y23-I27 PolarHBondContact O-N 3.34Å |
| 24 | L | 73 | Confident | 64.5 | Low | 106 Ų | 106 | 111 Ų | 111 | 56% | 0.555 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -72.1 | -28.7 | 172.8 | -71.8 | 171.8 | 0 | 0 | 0 | 113.1 | V20 G21 L22 A28 | V20-L24 HydrophobicContact CG1-CD1 3.93Å; V20-L24 HydrophobicContact CG1-CG 4.36Å; V20-L24 WeakPolarHBondContact O-CB 3.46Å; V20-L24 VanDerWaalsContact O-CG 3.27Å; V20-L24 WeakPolarHBondContact O-CG 3.32Å; V20-L24 PolarHBondContact O-N 3.45Å; G21-L24 PolarHBondContact O-N 3.32Å; L22-L24 VanDerWaalsContact C-N 3.34Å; L22-L24 PolarHBondContact O-N 3.22Å; L24-A28 WeakPolarHBondContact O-CB 3.19Å; L24-A28 PolarHBondContact O-N 2.67Å |
| 25 | V | 73.6 | Confident | 62.9 | Low | 76 Ų | 76 | 109.1 Ų | 109.1 | 46% | 0.461 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -72.4 | -39.8 | 171.1 | 166.6 | 0 | 0 | 0 | 0 | 111.1 | G21 L22 A28 Q29 | G21-V25 WeakPolarHBondContact O-CB 3.37Å; G21-V25 VanDerWaalsContact O-CG2 3.29Å; G21-V25 WeakPolarHBondContact O-CG2 3.47Å; G21-V25 PolarHBondContact O-N 3.47Å; L22-V25 CarbonylContact O-C 3.44Å; L22-V25 PolarHBondContact O-N 2.7Å; L22-V25 VanDerWaalsContact O-N 3.15Å; V25-A28 CarbonylContact O-C 3.34Å; V25-A28 PolarHBondContact O-N 2.97Å; V25-Q29 WeakPolarHBondContact O-CB 3.24Å; V25-Q29 WeakPolarHBondContact O-CG 3.31Å; V25-Q29 PolarHBondContact O-N 3.4Å |
| 26 | V | 68 | Low | 61 | Low | 77 Ų | 77 | 108.4 Ų | 108.4 | 47% | 0.467 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62 | -49.9 | 172.3 | 169.3 | 0 | 0 | 0 | 0 | 109.9 | L22 Y23 A28 Q29 S30 | L22-V26 WeakPolarHBondContact O-CG2 3.39Å; L22-V26 PolarHBondContact O-N 2.95Å; Y23-V26 PolarHBondContact O-N 3.4Å; V26-A28 VanDerWaalsContact C-N 3.3Å; V26-A28 PolarHBondContact O-N 2.88Å; V26-Q29 CarbonylContact O-C 3.55Å; V26-Q29 WeakPolarHBondContact O-CA 3.3Å; V26-Q29 PolarHBondContact O-N 3.01Å; V26-S30 PolarHBondContact O-N 3.4Å; V26-S30 PolarHBondContact O-OG 3.16Å |
| 27 | I | 65.1 | Low | 58.9 | Low | 71 Ų | 71 | 111 Ų | 111 | 36% | 0.364 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -59.2 | -40.8 | 174 | -69.6 | 166.9 | 0 | 0 | 0 | 111.1 | Y23 Q29 S30 V31 | Y23-I27 HydrophobicContact CD1-CD1 3.69Å; Y23-I27 HydrophobicContact CE1-CD1 3.52Å; Y23-I27 HydrophobicContact CG-CD1 4.47Å; Y23-I27 WeakPolarHBondContact O-CB 3.5Å; Y23-I27 VanDerWaalsContact O-CG1 3.31Å; Y23-I27 WeakPolarHBondContact O-CG1 3.32Å; Y23-I27 PolarHBondContact O-N 3.34Å; I27-Q29 PolarHBondContact O-N 2.85Å; I27-S30 PolarHBondContact O-N 3.44Å; I27-V31 HydrophobicContact CG2-CG2 4.26Å; I27-V31 VanDerWaalsContact O-CB 3.29Å; I27-V31 WeakPolarHBondContact O-CB 3.46Å; I27-V31 VanDerWaalsContact O-CG2 3.26Å; I27-V31 WeakPolarHBondContact O-CG2 3.25Å; I27-V31 PolarHBondContact O-N 2.98Å |
| 28 | A | 55.5 | Low | 56.5 | Low | 50 Ų | 50 | 111.6 Ų | 111.6 | 41% | 0.413 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -73.4 | -6.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L24 V25 V26 R32 | L24-A28 WeakPolarHBondContact O-CB 3.19Å; L24-A28 PolarHBondContact O-N 2.67Å; V25-A28 CarbonylContact O-C 3.34Å; V25-A28 PolarHBondContact O-N 2.97Å; V26-A28 VanDerWaalsContact C-N 3.3Å; V26-A28 PolarHBondContact O-N 2.88Å; A28-R32 WeakPolarHBondContact O-CB 3.49Å; A28-R32 WeakPolarHBondContact O-CD 3.4Å; A28-R32 WeakPolarHBondContact O-CG 3.46Å |
| 29 | Q | 52.8 | Low | 54.2 | Low | 124 Ų | 124 | 115.3 Ų | 115.3 | 58% | 0.579 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -99.6 | -38 | 169.9 | -76.9 | 177.1 | -35 | 0 | 0 | 111.1 | V25 V26 I27 V31 R32 S33 | V25-Q29 WeakPolarHBondContact O-CB 3.24Å; V25-Q29 WeakPolarHBondContact O-CG 3.31Å; V25-Q29 PolarHBondContact O-N 3.4Å; V26-Q29 CarbonylContact O-C 3.55Å; V26-Q29 WeakPolarHBondContact O-CA 3.3Å; V26-Q29 PolarHBondContact O-N 3.01Å; I27-Q29 PolarHBondContact O-N 2.85Å; Q29-V31 VanDerWaalsContact C-N 3.34Å; Q29-V31 PolarHBondContact O-N 2.75Å; Q29-R32 CarbonylContact O-C 3.58Å; Q29-R32 WeakPolarHBondContact O-CA 3.2Å; Q29-R32 PolarHBondContact O-N 3.28Å; Q29-S33 WeakPolarHBondContact O-CB 3.34Å; Q29-S33 PolarHBondContact O-N 3.08Å |
| 30 | S | 48.7 | Very low | 51.9 | Low | 67 Ų | 67 | 115.8 Ų | 115.8 | 47% | 0.469 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -59 | -44.7 | 166.9 | -54.6 | 0 | 0 | 0 | 0 | 111.2 | V26 I27 R32 S33 | V26-S30 PolarHBondContact O-N 3.4Å; V26-S30 PolarHBondContact O-OG 3.16Å; I27-S30 PolarHBondContact O-N 3.44Å; S30-R32 PolarHBondContact O-N 2.9Å; S30-S33 PolarHBondContact O-N 2.65Å; S30-S33 VanDerWaalsContact O-N 3.17Å |
| 31 | V | 46.2 | Very low | 49.7 | Very low | 105 Ų | 105 | 116.5 Ų | 116.5 | 64% | 0.636 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 10.3 | 173.9 | -176.4 | 0 | 0 | 0 | 0 | 112.1 | I27 Q29 | I27-V31 HydrophobicContact CG2-CG2 4.26Å; I27-V31 VanDerWaalsContact O-CB 3.29Å; I27-V31 WeakPolarHBondContact O-CB 3.46Å; I27-V31 VanDerWaalsContact O-CG2 3.26Å; I27-V31 WeakPolarHBondContact O-CG2 3.25Å; I27-V31 PolarHBondContact O-N 2.98Å; Q29-V31 VanDerWaalsContact C-N 3.34Å; Q29-V31 PolarHBondContact O-N 2.75Å |
| 32 | R | 38.4 | Very low | 47.4 | Very low | 215 Ų | 215 | 121.4 Ų | 121.4 | 81% | 0.811 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.9 | 22.1 | 166.5 | -76.2 | -175.5 | 160 | 175.6 | -7.1 | 112.8 | A28 Q29 S30 | A28-R32 WeakPolarHBondContact O-CB 3.49Å; A28-R32 WeakPolarHBondContact O-CD 3.4Å; A28-R32 WeakPolarHBondContact O-CG 3.46Å; Q29-R32 CarbonylContact O-C 3.58Å; Q29-R32 WeakPolarHBondContact O-CA 3.2Å; Q29-R32 PolarHBondContact O-N 3.28Å; S30-R32 PolarHBondContact O-N 2.9Å |
| 33 | S | 36.4 | Very low | 45.2 | Very low | 101 Ų | 101 | 121.7 Ų | 121.7 | 71% | 0.706 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -134.7 | 30.1 | 173.7 | -168.4 | 0 | 0 | 0 | 0 | 110.8 | Q29 S30 | Q29-S33 WeakPolarHBondContact O-CB 3.34Å; Q29-S33 PolarHBondContact O-N 3.08Å; S30-S33 PolarHBondContact O-N 2.65Å; S30-S33 VanDerWaalsContact O-N 3.17Å |
| 34 | Q | 31.4 | Very low | 43.2 | Very low | 169 Ų | 169 | 117.2 Ų | 117.2 | 79% | 0.79 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -133.6 | 45 | 176.8 | -70.9 | -169.8 | -52.7 | 0 | 0 | 110.4 | | |
| 35 | S | 33.9 | Very low | 41.3 | Very low | 89 Ų | 89 | 113.9 Ų | 113.9 | 62% | 0.622 | 63% | 0.63 | S | S | * | * | | | trans | -157.8 | 55.3 | -179.9 | 66 | 0 | 0 | 0 | 0 | 112.2 | | |
| 36 | D | 33 | Very low | 40 | Very low | 166 Ų | 166 | 114.6 Ų | 114.6 | 89% | 0.888 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -157.6 | 48 | 162.8 | -93.2 | -35.6 | 0 | 0 | 0 | 111 | | |
| 37 | L | 31.6 | Very low | 38.4 | Very low | 159 Ų | 159 | 119.2 Ų | 119.2 | 83% | 0.832 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -150.8 | 168.4 | 153.3 | -132.6 | 71 | 0 | 0 | 0 | 107.3 | | |
| 38 | D | 27.5 | Very low | 37.1 | Very low | 133 Ų | 133 | 123.5 Ų | 123.5 | 71% | 0.711 | 67% | 0.669 | S | S | * | * | | | trans | 58.6 | 63.6 | -179.2 | -65.6 | -20.3 | 0 | 0 | 0 | 117.4 | | |
| 39 | R | 31.7 | Very low | 36 | Very low | 251 Ų | 251 | 127.8 Ų | 127.8 | 95% | 0.947 | 69% | 0.694 | S | S | * | * | | | trans | -132.7 | 78.7 | 146.8 | -73.1 | -157.2 | 80.3 | -153.7 | 3.2 | 113.6 | | |
| 40 | C | 30.1 | Very low | 35.2 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 83% | 0.831 | 70% | 0.703 | S | S | * | * | | | trans | -146.3 | 44.8 | 134.6 | -159.2 | 0 | 0 | 0 | 0 | 112.6 | I42 | C40-I42 PolarHBondContact O-N 3.23Š|
| 41 | A | 34.1 | Very low | 34.6 | Very low | 86 Ų | 86 | 131 Ų | 131 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | | | trans | -57.1 | 127.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111 | V43 | A41-V43 PolarHBondContact O-N 2.84Š|
| 42 | I | 31.8 | Very low | 34.2 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 69% | 0.687 | 71% | 0.71 | S | S | * | * | | | trans | -68.9 | 128.1 | 175.3 | -63.6 | 174.9 | 0 | 0 | 0 | 108.7 | C40 C44 | C40-I42 PolarHBondContact O-N 3.23Å; I42-C44 HydrophobicContact CG2-CB 4.45Å |
| 43 | V | 31.4 | Very low | 34.8 | Very low | 94 Ų | 94 | 121.7 Ų | 121.7 | 57% | 0.57 | 68% | 0.684 | S | S | * | * | | | trans | -126 | 102.5 | 172.2 | -117.1 | 0 | 0 | 0 | 0 | 108.1 | A41 M696 | A41-V43 PolarHBondContact O-N 2.84Å; V43-M696 HydrophobicContact CB-CE 4.02Å; V43-M696 HydrophobicContact CB-CG 4.32Å; V43-M696 HydrophobicContact CB-SD 3.5Å; V43-M696 VanDerWaalsContact CB-SD 3.5Å; V43-M696 HydrophobicContact CG1-CE 3.74Å; V43-M696 HydrophobicContact CG1-SD 3.5Å; V43-M696 WeakPolarHBondContact CG1-SD 3.47Å; V43-M696 WeakPolarHBondContact O-CG 3.38Å |
| 44 | C | 33.4 | Very low | 34.8 | Very low | 66 Ų | 66 | 120.6 Ų | 120.6 | 45% | 0.446 | 67% | 0.674 | S | S | . | * | | | trans | -134.2 | 140.7 | 177.5 | -66.2 | 0 | 0 | 0 | 0 | 110.3 | I42 K694 M696 | I42-C44 HydrophobicContact CG2-CB 4.45Å; C44-K694 VanDerWaalsContact SG-CD 3.57Å; C44-K694 WeakPolarHBondContact SG-CG 3.46Å; C44-M696 VanDerWaalsContact C-CE 3.45Å; C44-M696 WeakPolarHBondContact O-CE 3.37Å |
| 45 | A | 33.4 | Very low | 35.4 | Very low | 36 Ų | 36 | 122.1 Ų | 122.1 | 30% | 0.298 | 68% | 0.681 | S | S | . | * | | | trans | -161.4 | 159.4 | 169 | 0 | 0 | 0 | 0 | 0 | 108.3 | M696 V697 | A45-M696 HydrophobicContact CB-CE 3.78Å; A45-M696 VanDerWaalsContact O-CA 3.29Å; A45-M696 WeakPolarHBondContact O-CA 3.43Å; A45-M696 PolarHBondContact O-N 3.04Å; A45-V697 HydrophobicContact CB-CB 4.2Å; A45-V697 HydrophobicContact CB-CG2 3.55Å; A45-V697 PolarHBondContact O-N 3.46Å |
| 46 | P | 45.3 | Very low | 35.7 | Very low | 91 Ų | 91 | 121 Ų | 121 | 59% | 0.591 | 68% | 0.684 | S | S | * | * | | | trans | -83 | 171.4 | -164.9 | 38.9 | -39.8 | 0 | 0 | 0 | 111.8 | V697 | P46-V697 PolarHBondContact O-N 3.46Š|
| 47 | E | 34.5 | Very low | 35.6 | Very low | 173 Ų | 173 | 121.1 Ų | 121.1 | 81% | 0.808 | 68% | 0.683 | S | S | * | * | S | Bend | cis | -132.9 | 107.5 | 20.5 | -69.5 | 175.2 | -174.3 | 0 | 0 | 114.6 | | |
| 48 | K | 37.9 | Very low | 35.9 | Very low | 161 Ų | 161 | 122.2 Ų | 122.2 | 70% | 0.7 | 68% | 0.684 | S | S | * | * | | | trans | 173.4 | 116.5 | 143.7 | -103.4 | 177.2 | -178.5 | -176.1 | 0 | 109.7 | P851 | K48-P851 HydrophobicContact CD-CG 4.22Š|
| 49 | C | 33.4 | Very low | 36.5 | Very low | 140 Ų | 140 | 118.6 Ų | 118.6 | 95% | 0.946 | 68% | 0.678 | S | S | * | * | | | trans | -86.2 | 115.3 | 177.1 | -58.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 50 | Q | 35.2 | Very low | 36.8 | Very low | 162 Ų | 162 | 115.6 Ų | 115.6 | 76% | 0.757 | 68% | 0.675 | S | S | * | * | | | trans | -157.4 | 116 | 170.2 | -163.6 | 166.1 | 11.3 | 0 | 0 | 109.8 | | |
| 51 | C | 35.8 | Very low | 37.6 | Very low | 97 Ų | 97 | 115.7 Ų | 115.7 | 66% | 0.655 | 67% | 0.673 | S | S | * | * | | | trans | -91.7 | 119.6 | -176.8 | -53.4 | 0 | 0 | 0 | 0 | 111 | I691 | C51-I691 CarbonylContact C-O 3.44Š|
| 52 | V | 39 | Very low | 38.1 | Very low | 99 Ų | 99 | 114.4 Ų | 114.4 | 60% | 0.6 | 67% | 0.669 | S | S | * | * | | | trans | -148.3 | 111.5 | 170.5 | -173.9 | 0 | 0 | 0 | 0 | 111.3 | I691 D692 V693 | V52-I691 CarbonylContact C-O 3.57Å; V52-I691 WeakPolarHBondContact CA-O 3Å; V52-I691 PolarHBondContact N-O 3.33Å; V52-D692 CarbonylContact C-O 3.5Å; V52-D692 VanDerWaalsContact C-O 3.3Å; V52-D692 CarbonylContact O-C 3.39Å; V52-V693 WeakPolarHBondContact O-CG2 3.41Å |
| 53 | G | 49.3 | Very low | 38.5 | Very low | 25 Ų | 25 | 114.2 Ų | 114.2 | 26% | 0.258 | 68% | 0.676 | S | S | . | * | | | trans | -51.8 | 159 | -152.5 | 0 | 0 | 0 | 0 | 0 | 124.3 | Q55 I691 D692 | G53-Q55 VanDerWaalsContact C-N 3.33Å; G53-Q55 PolarHBondContact O-N 2.6Å; G53-I691 WeakPolarHBondContact CA-O 3.49Å; G53-I691 PolarHBondContact N-O 3.24Å; G53-D692 CarbonylContact C-O 3.13Å; G53-D692 WeakPolarHBondContact CA-O 3.47Å |
| 54 | P | 36.5 | Very low | 39.3 | Very low | 79 Ų | 79 | 117.9 Ų | 117.9 | 51% | 0.513 | 69% | 0.691 | S | S | . | * | | | trans | -74.8 | 88.1 | 172.7 | 32.2 | -28.4 | 0 | 0 | 0 | 108.6 | G56 D692 | P54-G56 PolarHBondContact O-N 2.69Å; P54-D692 WeakPolarHBondContact CD-O 3.44Å; P54-D692 HydrophobicContact CG-CB 4.49Å; P54-D692 VanDerWaalsContact N-O 3.12Å |
| 55 | Q | 45.1 | Very low | 39.9 | Very low | 200 Ų | 200 | 118 Ų | 118 | 94% | 0.935 | 70% | 0.703 | S | S | * | * | | | trans | -74.5 | 98.2 | -170.4 | -169.6 | 176.3 | 36.1 | 0 | 0 | 112.4 | G53 | G53-Q55 VanDerWaalsContact C-N 3.33Å; G53-Q55 PolarHBondContact O-N 2.6Å |
| 56 | G | 39.2 | Very low | 40.4 | Very low | 66 Ų | 66 | 123.1 Ų | 123.1 | 68% | 0.68 | 73% | 0.731 | S | S | * | * | | | trans | 171.2 | 148.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P54 | P54-G56 PolarHBondContact O-N 2.69Š|
| 57 | I | 30.5 | Very low | 40.7 | Very low | 168 Ų | 168 | 130.4 Ų | 130.4 | 86% | 0.862 | 75% | 0.746 | S | S | * | * | | | cis | -99 | 149.5 | 13.4 | 55.7 | 175.1 | 0 | 0 | 0 | 114.1 | G59 | I57-G59 PolarHBondContact O-N 3.19Š|
| 58 | Q | 38.7 | Very low | 41.5 | Very low | 183 Ų | 183 | 125.4 Ų | 125.4 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | | | trans | -67.7 | 114.4 | 168.2 | -179.5 | 179.1 | 1 | 0 | 0 | 109.4 | | |
| 59 | G | 40.1 | Very low | 41.6 | Very low | 57 Ų | 57 | 121.9 Ų | 121.9 | 59% | 0.588 | 74% | 0.737 | S | S | * | * | | | trans | -56.8 | 144.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I57 | I57-G59 PolarHBondContact O-N 3.19Š|
| 60 | Q | 39.2 | Very low | 42.6 | Very low | 188 Ų | 188 | 123.3 Ų | 123.3 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | | | trans | -57.2 | 140.4 | 174.1 | -64.5 | -173.9 | 13.2 | 0 | 0 | 109.6 | G62 | Q60-G62 PolarHBondContact O-N 3.35Š|
| 61 | P | 45.1 | Very low | 43.3 | Very low | 124 Ų | 124 | 116.5 Ų | 116.5 | 81% | 0.805 | 70% | 0.703 | S | S | * | * | | | trans | -56.1 | 111.6 | 177.1 | -25.5 | 34.8 | 0 | 0 | 0 | 110.6 | | |
| 62 | G | 44.7 | Very low | 43.6 | Very low | 60 Ų | 60 | 115.2 Ų | 115.2 | 62% | 0.619 | 69% | 0.693 | S | S | * | * | | | trans | -57 | 142.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q60 I64 | Q60-G62 PolarHBondContact O-N 3.35Å; G62-I64 PolarHBondContact O-N 2.66Å |
| 63 | P | 41.8 | Very low | 44.5 | Very low | 129 Ų | 129 | 116.3 Ų | 116.3 | 84% | 0.838 | 70% | 0.703 | S | S | * | * | | | trans | -57.3 | 136.3 | 176.9 | 25.2 | -33.7 | 0 | 0 | 0 | 109.5 | G65 | P63-G65 PolarHBondContact O-N 2.76Š|
| 64 | I | 46.9 | Very low | 44.4 | Very low | 171 Ų | 171 | 118.3 Ų | 118.3 | 88% | 0.877 | 72% | 0.723 | S | S | * | * | | | trans | -56.6 | 114.5 | -178.4 | -62.6 | 174.3 | 0 | 0 | 0 | 108.3 | G62 V66 | G62-I64 PolarHBondContact O-N 2.66Å; I64-V66 PolarHBondContact O-N 3.31Å |
| 65 | G | 46.9 | Very low | 44.5 | Very low | 68 Ų | 68 | 122.8 Ų | 122.8 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 126.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112 | P63 R67 | P63-G65 PolarHBondContact O-N 2.76Å; G65-R67 PolarHBondContact O-N 2.87Å |
| 66 | V | 44.5 | Very low | 44.9 | Very low | 145 Ų | 145 | 119.7 Ų | 119.7 | 88% | 0.879 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 134.7 | 167.6 | -86 | 0 | 0 | 0 | 0 | 109.3 | I64 G68 | I64-V66 PolarHBondContact O-N 3.31Å; V66-G68 PolarHBondContact O-N 2.8Å |
| 67 | R | 50.5 | Low | 45 | Very low | 244 Ų | 244 | 119.9 Ų | 119.9 | 92% | 0.921 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -62 | 123.3 | 178.8 | 179.5 | 178.7 | 179.4 | 168.2 | -0.2 | 109.4 | G65 | G65-R67 PolarHBondContact O-N 2.87Š|
| 68 | G | 50.5 | Low | 45.6 | Very low | 68 Ų | 68 | 120.3 Ų | 120.3 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 152.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V66 | V66-G68 PolarHBondContact O-N 2.8Š|
| 69 | S | 41 | Very low | 45.9 | Very low | 87 Ų | 87 | 119.3 Ų | 119.3 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 138.6 | 177.3 | 49.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 70 | E | 53.4 | Low | 46.2 | Very low | 169 Ų | 169 | 119.7 Ų | 119.7 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | | | trans | -65.8 | 176.9 | 168.1 | -165.1 | 167.7 | -145.7 | 0 | 0 | 111.9 | S924 E925 | E70-S924 CarbonylContact O-C 3.53Å; E70-S924 WeakPolarHBondContact O-CA 3.34Å; E70-S924 WeakPolarHBondContact O-CB 3.38Å; E70-E925 WeakPolarHBondContact CA-OE1 3.32Å; E70-E925 PolarHBondContact O-N 2.86Å; E70-E925 VanDerWaalsContact O-N 3.08Å |
| 71 | G | 50.3 | Low | 45.9 | Very low | 20 Ų | 20 | 118.6 Ų | 118.6 | 21% | 0.206 | 74% | 0.744 | C | S | . | * | | | trans | -117.7 | 167.5 | -154.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | P73 S924 E925 | G71-P73 WeakPolarHBondContact O-CD 3.42Å; G71-S924 VanDerWaalsContact C-OG 3.28Å; G71-S924 PolarHBondContact O-OG 2.81Å; G71-E925 WeakPolarHBondContact CA-OE1 3.06Å; G71-E925 WeakPolarHBondContact CA-OE2 3.24Å; G71-E925 PolarHBondContact N-OE1 3.23Å |
| 72 | P | 43.5 | Very low | 45.6 | Very low | 69 Ų | 69 | 124.7 Ų | 124.7 | 45% | 0.448 | 75% | 0.751 | S | S | . | * | P | Polyproline II helix | trans | -83.3 | 120.8 | 173.8 | 34.6 | -22.8 | 0 | 0 | 0 | 107.7 | G74 S924 E925 | P72-G74 PolarHBondContact O-N 2.85Å; P72-S924 WeakPolarHBondContact CD-O 3.42Å; P72-S924 VanDerWaalsContact CG-O 3.29Å; P72-S924 WeakPolarHBondContact CG-O 3.46Å; P72-E925 VanDerWaalsContact CD-CB 3.47Å |
| 73 | P | 56.2 | Low | 45.3 | Very low | 123 Ų | 123 | 125 Ų | 125 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 134.3 | 171.6 | -21.8 | 34.2 | 0 | 0 | 0 | 109.9 | G71 | G71-P73 WeakPolarHBondContact O-CD 3.42Š|
| 74 | G | 47.6 | Very low | 45.6 | Very low | 67 Ų | 67 | 125.1 Ų | 125.1 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 151.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P72 | P72-G74 PolarHBondContact O-N 2.85Š|
| 75 | D | 38.7 | Very low | 45.2 | Very low | 172 Ų | 172 | 125 Ų | 125 | 92% | 0.92 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -64 | 143.3 | -173.5 | -74.4 | -56.3 | 0 | 0 | 0 | 113.9 | | |
| 76 | V | 53.4 | Low | 44.7 | Very low | 136 Ų | 136 | 124.6 Ų | 124.6 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 118.2 | -177.5 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 77 | G | 41.3 | Very low | 44.5 | Very low | 70 Ų | 70 | 126.4 Ų | 126.4 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 149.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 78 | L | 42.9 | Very low | 43.9 | Very low | 177 Ų | 177 | 121.6 Ų | 121.6 | 93% | 0.927 | 74% | 0.737 | S | S | * | * | | | trans | -99.8 | 110.2 | -178.7 | -81 | 169.9 | 0 | 0 | 0 | 112.8 | | |
| 79 | I | 45.5 | Very low | 43.1 | Very low | 162 Ų | 162 | 121.5 Ų | 121.5 | 83% | 0.831 | 74% | 0.735 | S | S | * | * | | | trans | -78.9 | 119.4 | 165.5 | -63.8 | 173.6 | 0 | 0 | 0 | 109 | | |
| 80 | G | 46.7 | Very low | 43 | Very low | 65 Ų | 65 | 124.9 Ų | 124.9 | 67% | 0.67 | 74% | 0.741 | S | S | * | * | | | trans | -92.5 | 152.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 81 | L | 32 | Very low | 42.9 | Very low | 164 Ų | 164 | 123.4 Ų | 123.4 | 86% | 0.859 | 73% | 0.734 | S | S | * | * | | | trans | -144.4 | 114.1 | 171.3 | -76 | 178.3 | 0 | 0 | 0 | 113.3 | | |
| 82 | R | 40 | Very low | 42.3 | Very low | 252 Ų | 252 | 125.2 Ų | 125.2 | 95% | 0.951 | 75% | 0.753 | S | S | * | * | | | | 31.9 | 131.4 | 125.4 | -162.9 | 177.8 | -168.3 | 166.9 | 4.9 | 118.4 | | |
| 83 | G | 37.7 | Very low | 42.3 | Very low | 67 Ų | 67 | 129.6 Ų | 129.6 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | | | cis | -176.9 | -167.6 | 12.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 84 | P | 48 | Very low | 42.3 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | | | trans | -119.1 | -170.6 | -144.1 | 43.9 | -37.6 | 0 | 0 | 0 | 118 | | |
| 85 | L | 38.5 | Very low | 42 | Very low | 169 Ų | 169 | 129.4 Ų | 129.4 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | | | trans | 95.2 | 130.6 | 158.2 | -154.9 | 74.5 | 0 | 0 | 0 | 117.6 | | |
| 86 | G | 37.4 | Very low | 42.2 | Very low | 60 Ų | 60 | 128.2 Ų | 128.2 | 62% | 0.619 | 77% | 0.769 | S | S | * | * | | | cis | 170.4 | 160.2 | -10.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 87 | E | 40 | Very low | 41.8 | Very low | 182 Ų | 182 | 129.9 Ų | 129.9 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | | | trans | 54.7 | 151 | 151.8 | -76 | -172.5 | -150.2 | 0 | 0 | 122.4 | | |
| 88 | K | 36.6 | Very low | 42 | Very low | 144 Ų | 144 | 128.8 Ų | 128.8 | 63% | 0.626 | 76% | 0.761 | S | S | * | * | | | cis | -158.9 | 156.6 | -4.7 | 161 | 174.6 | -179.2 | 177.2 | 0 | 110.1 | E90 | K88-E90 WeakPolarHBondContact CE-OE1 3.49Å; K88-E90 WeakPolarHBondContact CE-OE2 3.44Å; K88-E90 IonicContact NZ-OE1 2.8Å; K88-E90 PolarHBondContact NZ-OE1 3.46Å; K88-E90 IonicContact NZ-OE2 2.77Å; K88-E90 PolarHBondContact NZ-OE2 3.47Å |
| 89 | G | 34.9 | Very low | 41.9 | Very low | 65 Ų | 65 | 126.7 Ų | 126.7 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | | | trans | -163.5 | 139.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 90 | E | 38.6 | Very low | 41.8 | Very low | 159 Ų | 159 | 129.9 Ų | 129.9 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | | | trans | -107 | 170.4 | -164 | -89.9 | 164.5 | 148.8 | 0 | 0 | 116.9 | K88 | K88-E90 WeakPolarHBondContact CE-OE1 3.49Å; K88-E90 WeakPolarHBondContact CE-OE2 3.44Å; K88-E90 IonicContact NZ-OE1 2.8Å; K88-E90 PolarHBondContact NZ-OE1 3.46Å; K88-E90 IonicContact NZ-OE2 2.77Å; K88-E90 PolarHBondContact NZ-OE2 3.47Å |
| 91 | Q | 50.6 | Low | 42 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 64% | 0.64 | 76% | 0.757 | S | S | * | * | | | trans | -82.9 | 163.6 | -158.5 | -164.8 | -161.3 | 50.1 | 0 | 0 | 116.1 | | |
| 92 | G | 37.6 | Very low | 42.1 | Very low | 58 Ų | 58 | 131.1 Ų | 131.1 | 60% | 0.598 | 76% | 0.76 | S | S | * | * | | | trans | 172.1 | 151.4 | 142.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 93 | I | 44.1 | Very low | 42.4 | Very low | 161 Ų | 161 | 127.9 Ų | 127.9 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | | | cis | -148 | 141.3 | -18.8 | -54.4 | 180 | 0 | 0 | 0 | 106.6 | | |
| 94 | P | 56.7 | Low | 43 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | | | trans | -82.7 | 166.1 | -177.2 | -10.1 | 28 | 0 | 0 | 0 | 115.5 | | |
| 95 | G | 39.9 | Very low | 42.7 | Very low | 70 Ų | 70 | 129.1 Ų | 129.1 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | | | trans | -176.6 | 150.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 96 | V | 43.2 | Very low | 43.8 | Very low | 147 Ų | 147 | 126.5 Ų | 126.5 | 89% | 0.891 | 74% | 0.742 | S | S | * | * | | | cis | -138.5 | 147.8 | -2.8 | 179.4 | 0 | 0 | 0 | 0 | 108.8 | G98 | V96-G98 PolarHBondContact O-N 3.2Š|
| 97 | L | 44.8 | Very low | 44.5 | Very low | 171 Ų | 171 | 126.8 Ų | 126.8 | 90% | 0.895 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 127.1 | -174.9 | -173.5 | 64.4 | 0 | 0 | 0 | 112.9 | | |
| 98 | G | 46.7 | Very low | 44.9 | Very low | 48 Ų | 48 | 126.7 Ų | 126.7 | 50% | 0.495 | 74% | 0.744 | S | S | . | * | P | Polyproline II helix | trans | -73.2 | 170.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113 | V96 R100 | V96-G98 PolarHBondContact O-N 3.2Å; G98-R100 PolarHBondContact O-N 2.98Å |
| 99 | P | 39.9 | Very low | 45.9 | Very low | 133 Ų | 133 | 125.8 Ų | 125.8 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 139.4 | -171.9 | 24.9 | -34.1 | 0 | 0 | 0 | 112.6 | G101 | P99-G101 PolarHBondContact O-N 2.93Å; P99-G101 VanDerWaalsContact O-N 3.11Å |
| 100 | R | 43.8 | Very low | 46.6 | Very low | 228 Ų | 228 | 125.9 Ų | 125.9 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | | | trans | -58.2 | 111.8 | 175.5 | 179 | -178.4 | -174.5 | 168.8 | 4.7 | 109.6 | G98 | G98-R100 PolarHBondContact O-N 2.98Š|
| 101 | G | 50.3 | Low | 47 | Very low | 59 Ų | 59 | 128.4 Ų | 128.4 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | | | trans | -59.2 | 160.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P99 | P99-G101 PolarHBondContact O-N 2.93Å; P99-G101 VanDerWaalsContact O-N 3.11Å |
| 102 | E | 35.7 | Very low | 47.5 | Very low | 197 Ų | 197 | 127.6 Ų | 127.6 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | | | trans | -56 | 141.3 | 178.6 | -63.9 | -177.4 | 151 | 0 | 0 | 110.5 | G104 | E102-G104 PolarHBondContact O-N 2.88Š|
| 103 | K | 45.2 | Very low | 48.1 | Very low | 183 Ų | 183 | 128 Ų | 128 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | | | trans | -71.3 | 103.4 | -179.6 | -168.7 | -170.5 | -179.6 | -164.4 | 0 | 106.8 | | |
| 104 | G | 50.8 | Low | 48.3 | Very low | 57 Ų | 57 | 127.6 Ų | 127.6 | 59% | 0.588 | 77% | 0.768 | S | S | * | * | | | trans | -51.5 | 156.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E102 | E102-G104 PolarHBondContact O-N 2.88Š|
| 105 | L | 42.3 | Very low | 48 | Very low | 167 Ų | 167 | 129.8 Ų | 129.8 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | | | trans | -42.9 | 135.9 | 172.5 | -67.7 | 170.3 | 0 | 0 | 0 | 109.2 | G107 | L105-G107 PolarHBondContact O-N 2.81Å; L105-G107 VanDerWaalsContact O-N 3.11Å |
| 106 | P | 60.1 | Low | 48.6 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | | | trans | -49.6 | 126.4 | 163.8 | -20.8 | 32.2 | 0 | 0 | 0 | 107.2 | | |
| 107 | G | 52.4 | Low | 48.8 | Very low | 65 Ų | 65 | 129.9 Ų | 129.9 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | | | trans | -53.4 | 149 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | L105 | L105-G107 PolarHBondContact O-N 2.81Å; L105-G107 VanDerWaalsContact O-N 3.11Å |
| 108 | Q | 48 | Very low | 49.6 | Very low | 180 Ų | 180 | 127.8 Ų | 127.8 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | | | trans | -44.9 | 134.3 | 164.1 | -72.5 | 175 | -22.7 | 0 | 0 | 107.6 | G110 | Q108-G110 PolarHBondContact O-N 2.04Š|
| 109 | P | 58.5 | Low | 49.8 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -48 | 120.2 | 171 | -25.7 | 34.4 | 0 | 0 | 0 | 107.3 | Y111 | P109-Y111 PolarHBondContact O-N 3.32Š|
| 110 | G | 49.1 | Very low | 49.9 | Very low | 66 Ų | 66 | 129.9 Ų | 129.9 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | | | trans | -53.7 | 137 | 174 | 0 | 0 | 0 | 0 | 0 | 107.1 | Q108 | Q108-G110 PolarHBondContact O-N 2.04Š|
| 111 | Y | 47.5 | Very low | 50.7 | Low | 213 Ų | 213 | 125.1 Ų | 125.1 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | | | trans | -41.8 | 129.9 | 173.7 | -66.6 | -85.8 | 0 | 0 | 0 | 108.4 | P109 G113 | P109-Y111 PolarHBondContact O-N 3.32Å; Y111-G113 PolarHBondContact O-N 2.89Å |
| 112 | P | 60.3 | Low | 50.7 | Low | 119 Ų | 119 | 125.7 Ų | 125.7 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | trans | -47.2 | 119.9 | 170.2 | -25.8 | 34.4 | 0 | 0 | 0 | 107.1 | N114 | P112-N114 PolarHBondContact O-N 2.88Å; P112-N114 VanDerWaalsContact O-N 3.12Å |
| 113 | G | 51.9 | Low | 51.2 | Low | 66 Ų | 66 | 123 Ų | 123 | 68% | 0.68 | 76% | 0.762 | S | S | * | * | | | trans | -59 | 123.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | Y111 D115 | Y111-G113 PolarHBondContact O-N 2.89Å; G113-D115 PolarHBondContact O-N 2.97Å; G113-D115 VanDerWaalsContact O-N 3.15Å |
| 114 | N | 47.2 | Very low | 51.6 | Low | 153 Ų | 153 | 126 Ų | 126 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | -43.4 | 125.2 | -177.7 | -60.9 | 14.3 | 0 | 0 | 0 | 109 | P112 G116 | P112-N114 PolarHBondContact O-N 2.88Å; P112-N114 VanDerWaalsContact O-N 3.12Å; N114-G116 PolarHBondContact O-N 3.31Å |
| 115 | D | 50.9 | Low | 51.5 | Low | 162 Ų | 162 | 126.3 Ų | 126.3 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | | | trans | -55.6 | 115.7 | 175.9 | -78.7 | -50.8 | 0 | 0 | 0 | 107.6 | G113 D117 | G113-D115 PolarHBondContact O-N 2.97Å; G113-D115 VanDerWaalsContact O-N 3.15Å; D115-D117 PolarHBondContact O-N 3.44Å |
| 116 | G | 51.9 | Low | 51.4 | Low | 66 Ų | 66 | 127.4 Ų | 127.4 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | | | trans | -63.4 | 133 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | N114 | N114-G116 PolarHBondContact O-N 3.31Š|
| 117 | D | 47 | Very low | 50.6 | Low | 153 Ų | 153 | 132 Ų | 132 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -46 | 124.1 | -175.8 | -59.3 | -70.2 | 0 | 0 | 0 | 111.1 | D115 G119 | D115-D117 PolarHBondContact O-N 3.44Å; D117-G119 PolarHBondContact O-N 2.88Å |
| 118 | P | 62.5 | Low | 50.4 | Low | 127 Ų | 127 | 132 Ų | 132 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | -57.4 | 102.7 | -178.8 | -28.4 | 36.3 | 0 | 0 | 0 | 111.4 | H120 | P118-H120 PolarHBondContact O-N 2.88Š|
| 119 | G | 50.2 | Low | 50 | Low | 70 Ų | 70 | 132.7 Ų | 132.7 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | | | trans | -52.1 | 129.2 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | D117 | D117-G119 PolarHBondContact O-N 2.88Š|
| 120 | H | 42 | Very low | 49.2 | Very low | 156 Ų | 156 | 135.8 Ų | 135.8 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | | | trans | -47.6 | 131.4 | -171.9 | -56.2 | -73.1 | 0 | 0 | 0 | 112.3 | P118 G122 | P118-H120 PolarHBondContact O-N 2.88Å; H120-G122 PolarHBondContact O-N 3.32Å |
| 121 | P | 60.9 | Low | 49.2 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | | | trans | -58.1 | 105.3 | 174.4 | -25.6 | 35.2 | 0 | 0 | 0 | 111.1 | M123 | P121-M123 PolarHBondContact O-N 2.99Š|
| 122 | G | 49.8 | Very low | 48.6 | Very low | 71 Ų | 71 | 133.6 Ų | 133.6 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | | | trans | -53.8 | 136.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | H120 R124 | H120-G122 PolarHBondContact O-N 3.32Å; G122-R124 PolarHBondContact O-N 3.32Å |
| 123 | M | 46.2 | Very low | 48.2 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 69% | 0.69 | 78% | 0.783 | S | S | * | * | | | trans | -48.5 | 124 | -172.4 | -63.7 | -164.7 | 91.1 | 0 | 0 | 112.1 | P121 G125 | P121-M123 PolarHBondContact O-N 2.99Å; M123-G125 PolarHBondContact O-N 3Å |
| 124 | R | 53.4 | Low | 47.8 | Very low | 247 Ų | 247 | 133.1 Ų | 133.1 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | | | trans | -62.6 | 101.9 | 169.2 | 174.5 | 179.8 | -84.8 | -178.5 | -4 | 108.1 | G122 | G122-R124 PolarHBondContact O-N 3.32Š|
| 125 | G | 48.9 | Very low | 47.4 | Very low | 63 Ų | 63 | 131.5 Ų | 131.5 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | | | trans | -49.9 | 141.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114 | M123 K127 | M123-G125 PolarHBondContact O-N 3Å; G125-K127 PolarHBondContact O-N 2.9Å |
| 126 | M | 40.9 | Very low | 46.9 | Very low | 189 Ų | 189 | 131.7 Ų | 131.7 | 93% | 0.931 | 79% | 0.789 | S | S | * | * | | | trans | -50 | 124.2 | -176.4 | -60.2 | -178.3 | 82.1 | 0 | 0 | 111.2 | G128 | M126-G128 PolarHBondContact O-N 2.83Š|
| 127 | K | 43.5 | Very low | 46.3 | Very low | 212 Ų | 212 | 132.2 Ų | 132.2 | 92% | 0.922 | 79% | 0.794 | S | S | * | * | | | trans | -59.5 | 107.8 | 171.8 | 179 | -176.7 | 177.1 | -175.3 | 0 | 108.1 | G125 | G125-K127 PolarHBondContact O-N 2.9Š|
| 128 | G | 48.8 | Very low | 45.8 | Very low | 64 Ų | 64 | 134.4 Ų | 134.4 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | | | trans | -54 | 146.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | M126 K130 | M126-G128 PolarHBondContact O-N 2.83Å; G128-K130 PolarHBondContact O-N 2.83Å |
| 129 | E | 38.2 | Very low | 45.1 | Very low | 196 Ų | 196 | 133 Ų | 133 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | | | trans | -51.6 | 127.8 | -179.7 | -64 | 179.7 | 140.1 | 0 | 0 | 110.9 | G131 | E129-G131 PolarHBondContact O-N 2.97Š|
| 130 | K | 43.1 | Very low | 44.7 | Very low | 190 Ų | 190 | 131.3 Ų | 131.3 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | | | trans | -71.5 | 96.8 | 176.8 | -179.8 | -167.5 | 170.9 | -167.5 | 0 | 108.2 | G128 | G128-K130 PolarHBondContact O-N 2.83Š|
| 131 | G | 48.7 | Very low | 44.5 | Very low | 58 Ų | 58 | 128.2 Ų | 128.2 | 60% | 0.598 | 76% | 0.764 | S | S | * | * | | | trans | -53.1 | 145.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | E129 S133 | E129-G131 PolarHBondContact O-N 2.97Å; G131-S133 PolarHBondContact O-N 3.02Å |
| 132 | D | 35.4 | Very low | 43.7 | Very low | 175 Ų | 175 | 129.7 Ų | 129.7 | 94% | 0.936 | 76% | 0.764 | S | S | * | * | | | trans | -52.5 | 120.9 | -172 | -62.3 | -55 | 0 | 0 | 0 | 113.6 | | |
| 133 | S | 51.2 | Low | 43.4 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | | | trans | -131.3 | 66.2 | -174.2 | 75.2 | 0 | 0 | 0 | 0 | 114.1 | G131 | G131-S133 PolarHBondContact O-N 3.02Š|
| 134 | G | 43.3 | Very low | 43 | Very low | 77 Ų | 77 | 132.6 Ų | 132.6 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | 87.7 | 132.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 135 | C | 38.5 | Very low | 42.6 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | -84.1 | 128.2 | 177.9 | -46.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 136 | D | 40.7 | Very low | 42.7 | Very low | 166 Ų | 166 | 129.5 Ų | 129.5 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | | | trans | 66 | 122.1 | 142.5 | -45.1 | -27.8 | 0 | 0 | 0 | 122.1 | | |
| 137 | G | 38.3 | Very low | 42.9 | Very low | 76 Ų | 76 | 129.3 Ų | 129.3 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | | | trans | -158.3 | 127.4 | 155.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 138 | E | 38.5 | Very low | 43.6 | Very low | 199 Ų | 199 | 125.2 Ų | 125.2 | 93% | 0.93 | 76% | 0.762 | S | S | * | * | | | trans | -80.1 | 164.8 | -153.1 | -63.2 | 167.3 | 130 | 0 | 0 | 116.7 | | |
| 139 | S | 46.6 | Very low | 43.8 | Very low | 99 Ų | 99 | 125.5 Ų | 125.5 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | | | trans | -83.1 | 176.1 | -158.2 | -43.7 | 0 | 0 | 0 | 0 | 118.1 | | |
| 140 | G | 41.9 | Very low | 44.3 | Very low | 33 Ų | 33 | 120.5 Ų | 120.5 | 34% | 0.34 | 76% | 0.758 | S | S | . | * | | | trans | -166 | 105.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 141 | D | 38.7 | Very low | 45.1 | Very low | 92 Ų | 92 | 117.7 Ų | 117.7 | 49% | 0.492 | 76% | 0.759 | S | S | . | * | | | trans | -89 | 152.7 | -160.9 | -42 | -31.3 | 0 | 0 | 0 | 114.9 | P342 | D141-P342 WeakPolarHBondContact OD2-CG 3.04Š|
| 142 | N | 43.2 | Very low | 45.4 | Very low | 158 Ų | 158 | 118 Ų | 118 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | | | trans | -174 | 136.3 | 133.7 | -106.2 | -50.7 | 0 | 0 | 0 | 112.5 | | |
| 143 | G | 43.4 | Very low | 46 | Very low | 72 Ų | 72 | 117.9 Ų | 117.9 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | | | trans | 76.7 | 100.4 | 156.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | Q145 | G143-Q145 PolarHBondContact O-N 3.14Š|
| 144 | E | 37.7 | Very low | 46.1 | Very low | 200 Ų | 200 | 120.7 Ų | 120.7 | 94% | 0.935 | 77% | 0.765 | S | S | * | * | | | trans | -68.3 | 94 | 159.7 | -66 | 178.5 | 134.8 | 0 | 0 | 109.5 | G146 | E144-G146 VanDerWaalsContact C-N 3.31Å; E144-G146 PolarHBondContact O-N 3.32Å; E144-G146 VanDerWaalsContact O-N 3.13Å |
| 145 | Q | 45.1 | Very low | 46.5 | Very low | 190 Ų | 190 | 119.8 Ų | 119.8 | 89% | 0.888 | 76% | 0.755 | S | S | * | * | | | trans | -72.5 | 97.6 | 153.5 | -179 | 174.7 | -16.2 | 0 | 0 | 106.3 | G143 | G143-Q145 PolarHBondContact O-N 3.14Š|
| 146 | G | 51.9 | Low | 47.2 | Very low | 55 Ų | 55 | 120.3 Ų | 120.3 | 57% | 0.567 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 142.1 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | E144 | E144-G146 VanDerWaalsContact C-N 3.31Å; E144-G146 PolarHBondContact O-N 3.32Å; E144-G146 VanDerWaalsContact O-N 3.13Å |
| 147 | E | 44.3 | Very low | 48.3 | Very low | 186 Ų | 186 | 118.3 Ų | 118.3 | 87% | 0.869 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 134.9 | 167.2 | -62.4 | -164.8 | 138.4 | 0 | 0 | 108.1 | G149 | E147-G149 PolarHBondContact O-N 3.11Å; E147-G149 VanDerWaalsContact O-N 3.14Å |
| 148 | P | 57.4 | Low | 48.8 | Very low | 125 Ų | 125 | 117.9 Ų | 117.9 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 125.7 | 177.9 | -26.5 | 34.8 | 0 | 0 | 0 | 109.7 | A150 | P148-A150 PolarHBondContact O-N 3.07Š|
| 149 | G | 53.8 | Low | 49.2 | Very low | 70 Ų | 70 | 117.4 Ų | 117.4 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 139.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | E147 | E147-G149 PolarHBondContact O-N 3.11Å; E147-G149 VanDerWaalsContact O-N 3.14Å |
| 150 | A | 48 | Very low | 50.1 | Low | 92 Ų | 92 | 118.6 Ų | 118.6 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 134.8 | 178 | 0 | 0 | 0 | 0 | 0 | 109.1 | P148 G152 | P148-A150 PolarHBondContact O-N 3.07Å; A150-G152 PolarHBondContact O-N 3.02Å |
| 151 | P | 61.3 | Low | 50.6 | Low | 130 Ų | 130 | 120.5 Ų | 120.5 | 84% | 0.844 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 119.3 | 179.5 | -28 | 35.1 | 0 | 0 | 0 | 109.6 | I153 | P151-I153 PolarHBondContact O-N 2.94Š|
| 152 | G | 55 | Low | 51.4 | Low | 64 Ų | 64 | 121.4 Ų | 121.4 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 140.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109 | A150 I154 | A150-G152 PolarHBondContact O-N 3.02Å; G152-I154 PolarHBondContact O-N 2.8Å; G152-I154 VanDerWaalsContact O-N 3.12Å |
| 153 | I | 48.1 | Very low | 52.1 | Low | 173 Ų | 173 | 121.8 Ų | 121.8 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 123 | 177.7 | 46.1 | 173.1 | 0 | 0 | 0 | 109.4 | P151 G155 | P151-I153 PolarHBondContact O-N 2.94Å; I153-G155 PolarHBondContact O-N 3.16Å |
| 154 | I | 52.5 | Low | 52.8 | Low | 159 Ų | 159 | 120.5 Ų | 120.5 | 82% | 0.815 | 76% | 0.759 | S | S | * | * | | | trans | -65.8 | 106.4 | 171.9 | -67.3 | 174.3 | 0 | 0 | 0 | 105.3 | G152 | G152-I154 PolarHBondContact O-N 2.8Å; G152-I154 VanDerWaalsContact O-N 3.12Å |
| 155 | G | 51.6 | Low | 53.6 | Low | 57 Ų | 57 | 113.7 Ų | 113.7 | 59% | 0.588 | 73% | 0.732 | S | S | * | * | | | trans | -53 | 147.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | I153 | I153-G155 PolarHBondContact O-N 3.16Š|
| 156 | T | 52.6 | Low | 54 | Low | 131 Ų | 131 | 114.3 Ų | 114.3 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | | | trans | -43.7 | 129.4 | 179.9 | 44 | 0 | 0 | 0 | 0 | 110.5 | G158 | T156-G158 PolarHBondContact O-N 2.99Å; T156-G158 VanDerWaalsContact O-N 3.08Å |
| 157 | P | 64.1 | Low | 53.6 | Low | 123 Ų | 123 | 114.6 Ų | 114.6 | 80% | 0.799 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 122.2 | 178.6 | -27.4 | 34.7 | 0 | 0 | 0 | 110.1 | | |
| 158 | G | 49.4 | Very low | 53.2 | Low | 67 Ų | 67 | 114.2 Ų | 114.2 | 69% | 0.691 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 148 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | T156 | T156-G158 PolarHBondContact O-N 2.99Å; T156-G158 VanDerWaalsContact O-N 3.08Å |
| 159 | E | 45.7 | Very low | 52.5 | Low | 190 Ų | 190 | 114.6 Ų | 114.6 | 89% | 0.888 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 133.6 | -175.3 | -62.8 | -161.9 | 130.2 | 0 | 0 | 111 | G161 | E159-G161 PolarHBondContact O-N 2.99Š|
| 160 | P | 66.6 | Low | 51.9 | Low | 124 Ų | 124 | 114.7 Ų | 114.7 | 81% | 0.805 | 73% | 0.728 | S | S | * | * | | | trans | -61.5 | 112 | -175.8 | -25.7 | 35.1 | 0 | 0 | 0 | 112.3 | T162 | P160-T162 PolarHBondContact O-N 2.87Š|
| 161 | G | 52.2 | Low | 51.3 | Low | 72 Ų | 72 | 114.3 Ų | 114.3 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | | | trans | -50.4 | 135.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E159 K163 | E159-G161 PolarHBondContact O-N 2.99Å; G161-K163 PolarHBondContact O-N 3.06Å |
| 162 | T | 56.1 | Low | 50.1 | Low | 112 Ų | 112 | 113.5 Ų | 113.5 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | | | trans | -68 | 121.7 | -168.3 | 52 | 0 | 0 | 0 | 0 | 111.6 | P160 G164 | P160-T162 PolarHBondContact O-N 2.87Å; T162-G164 PolarHBondContact O-N 2.97Å |
| 163 | K | 57.5 | Low | 49.4 | Very low | 165 Ų | 165 | 121.7 Ų | 121.7 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | | | trans | -66.4 | 106.9 | -166.5 | -160 | 175.7 | -158.1 | 74.8 | 0 | 112.7 | G161 E321 | G161-K163 PolarHBondContact O-N 3.06Å; K163-E321 IonicContact NZ-OE2 2.59Å; K163-E321 PolarHBondContact NZ-OE2 3.45Å; K163-E321 VanDerWaalsContact NZ-OE2 3.12Å |
| 164 | G | 57.1 | Low | 48.7 | Very low | 45 Ų | 45 | 123.2 Ų | 123.2 | 46% | 0.464 | 75% | 0.745 | S | S | . | * | | | trans | -39.6 | 124 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | T162 K166 | T162-G164 PolarHBondContact O-N 2.97Å; G164-K166 PolarHBondContact O-N 2.99Å |
| 165 | P | 54.8 | Low | 48.2 | Very low | 57 Ų | 57 | 118.6 Ų | 118.6 | 37% | 0.37 | 74% | 0.737 | S | S | . | * | P | Polyproline II helix | trans | -69.5 | 121.9 | -168.3 | -20.2 | 31.7 | 0 | 0 | 0 | 112.9 | R601 I602 | P165-R601 HydrophobicContact CB-CG 4.08Å; P165-R601 HydrophobicContact CG-CG 4.04Å; P165-R601 PolarHBondContact O-NE 2.84Å; P165-R601 PolarHBondContact O-NH2 3.16Å; P165-I602 HydrophobicContact CG-CD1 4.16Å; P165-I602 HydrophobicContact CG-CG1 4.09Å |
| 166 | K | 53.5 | Low | 47.5 | Very low | 204 Ų | 204 | 124.6 Ų | 124.6 | 89% | 0.887 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 128.8 | -176.5 | -164.9 | 169.6 | -170.1 | 164.7 | 0 | 113.1 | G164 | G164-K166 PolarHBondContact O-N 2.99Š|
| 167 | G | 44.3 | Very low | 46.8 | Very low | 61 Ų | 61 | 127.5 Ų | 127.5 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -68 | 145.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | T169 | G167-T169 PolarHBondContact O-N 3.46Š|
| 168 | Y | 36.4 | Very low | 45.5 | Very low | 178 Ų | 178 | 124.9 Ų | 124.9 | 70% | 0.698 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 130.1 | 177.7 | -81.6 | -86.8 | 0 | 0 | 0 | 112.2 | G170 E598 K599 | Y168-G170 PolarHBondContact O-N 3.31Å; Y168-E598 PolarHBondContact OH-O 2.8Å; Y168-K599 PolarHBondContact OH-N 3.49Å; Y168-K599 PolarHBondContact OH-O 3.45Å |
| 169 | T | 42.4 | Very low | 44.9 | Very low | 133 Ų | 133 | 129.9 Ų | 129.9 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 123.1 | -178.6 | 50.8 | 0 | 0 | 0 | 0 | 112.4 | G167 G171 | G167-T169 PolarHBondContact O-N 3.46Å; T169-G171 PolarHBondContact O-N 2.99Å |
| 170 | G | 40.2 | Very low | 44.4 | Very low | 71 Ų | 71 | 130.3 Ų | 130.3 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | | | trans | -63.8 | 112.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y168 S172 | Y168-G170 PolarHBondContact O-N 3.31Å; G170-S172 PolarHBondContact O-N 3.31Å |
| 171 | G | 37 | Very low | 43.1 | Very low | 85 Ų | 85 | 127 Ų | 127 | 88% | 0.876 | 75% | 0.75 | S | S | * | * | | | trans | -68 | 80.9 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | T169 R173 | T169-G171 PolarHBondContact O-N 2.99Å; G171-R173 PolarHBondContact O-N 3.36Å |
| 172 | S | 34.8 | Very low | 42.9 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | | | trans | -79.6 | 105.7 | 174.6 | -79.2 | 0 | 0 | 0 | 0 | 112.7 | G170 | G170-S172 PolarHBondContact O-N 3.31Š|
| 173 | R | 40.1 | Very low | 42.5 | Very low | 237 Ų | 237 | 132.4 Ų | 132.4 | 89% | 0.894 | 76% | 0.764 | S | S | * | * | | | trans | -178.1 | 119.1 | 130.1 | -102.1 | 158.7 | -176.6 | 177.7 | 3 | 113.7 | G171 G175 | G171-R173 PolarHBondContact O-N 3.36Å; R173-G175 PolarHBondContact O-N 3.35Å |
| 174 | Q | 34.5 | Very low | 41.6 | Very low | 204 Ų | 204 | 128.1 Ų | 128.1 | 95% | 0.953 | 77% | 0.767 | S | S | * | * | | | trans | -80.4 | 106.1 | 147.5 | -164.6 | 172.7 | 36 | 0 | 0 | 107.6 | | |
| 175 | G | 40.8 | Very low | 41 | Very low | 63 Ų | 63 | 135.1 Ų | 135.1 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -79 | 156.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R173 | R173-G175 PolarHBondContact O-N 3.35Š|
| 176 | L | 37.5 | Very low | 40.4 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 96% | 0.958 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 119.1 | 172.8 | -67.7 | 168.2 | 0 | 0 | 0 | 110.9 | | |
| 177 | M | 38.2 | Very low | 39.8 | Very low | 191 Ų | 191 | 134.5 Ų | 134.5 | 94% | 0.941 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 145.6 | 165.8 | 176.3 | -169.1 | -66 | 0 | 0 | 110.7 | | |
| 178 | G | 37 | Very low | 40 | Very low | 68 Ų | 68 | 140.8 Ų | 140.8 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | | | cis | -171.9 | -178.6 | -2.8 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 179 | E | 35.2 | Very low | 40.5 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 81% | 0.808 | 83% | 0.827 | S | S | * | * | | | cis | -149.6 | 172.8 | 5.4 | -49.8 | 169.4 | 27.3 | 0 | 0 | 110.2 | | |
| 180 | K | 35.8 | Very low | 40.5 | Very low | 199 Ų | 199 | 135.9 Ų | 135.9 | 87% | 0.865 | 83% | 0.825 | S | S | * | * | | | trans | 65.8 | 135.5 | 137.8 | -161.2 | 170.8 | -166.2 | 159.5 | 0 | 120.4 | | |
| 181 | G | 39.8 | Very low | 40.4 | Very low | 55 Ų | 55 | 142.1 Ų | 142.1 | 57% | 0.567 | 83% | 0.831 | S | S | * | * | | | cis | -178.5 | -179.3 | -0.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 182 | D | 47.1 | Very low | 41 | Very low | 163 Ų | 163 | 144.7 Ų | 144.7 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | | | trans | -97.2 | 151.6 | -142.1 | -34.7 | -84.1 | 0 | 0 | 0 | 116.7 | | |
| 183 | P | 48.1 | Very low | 41.6 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | | | | -144.5 | 152.2 | 119.9 | 37.5 | -24.1 | 0 | 0 | 0 | 113.5 | | |
| 184 | G | 39.3 | Very low | 41.9 | Very low | 75 Ų | 75 | 138.3 Ų | 138.3 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | cis | 178.9 | 158 | -3.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 185 | E | 43.8 | Very low | 43.1 | Very low | 191 Ų | 191 | 134.4 Ų | 134.4 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | | | trans | -80.2 | 155.4 | -167.4 | -59.4 | -179.9 | 133 | 0 | 0 | 116.4 | | |
| 186 | I | 43.4 | Very low | 43.5 | Very low | 177 Ų | 177 | 134.7 Ų | 134.7 | 91% | 0.908 | 81% | 0.806 | S | S | * | * | | | trans | 154.7 | 131.6 | 141.1 | -82.8 | 157.9 | 0 | 0 | 0 | 108.7 | | |
| 187 | G | 39.2 | Very low | 44.1 | Very low | 71 Ų | 71 | 134.5 Ų | 134.5 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | | | cis | -173.4 | 173.8 | -2.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 188 | Q | 49.2 | Very low | 44.8 | Very low | 194 Ų | 194 | 133 Ų | 133 | 91% | 0.907 | 80% | 0.801 | S | S | * | * | | | trans | -73.8 | 151.7 | 177.9 | -58.6 | 171.7 | -9 | 0 | 0 | 111.1 | | |
| 189 | P | 46.7 | Very low | 45.4 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 87% | 0.87 | 80% | 0.803 | S | S | * | * | | | | -139.6 | -179.5 | 67.6 | 35.2 | -14.6 | 0 | 0 | 0 | 114 | | |
| 190 | G | 42.3 | Very low | 45.9 | Very low | 74 Ų | 74 | 134.3 Ų | 134.3 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | | | cis | -146 | -160.1 | 9.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 191 | K | 38.1 | Very low | 46.9 | Very low | 201 Ų | 201 | 132.7 Ų | 132.7 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | | | trans | -126.5 | 130.4 | -158.1 | 40.7 | 159.8 | -178.9 | 168.3 | 0 | 112.3 | | |
| 192 | D | 49.2 | Very low | 47.2 | Very low | 139 Ų | 139 | 133.5 Ų | 133.5 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | | | trans | -100.8 | -173.5 | 174.2 | -68.3 | -27.6 | 0 | 0 | 0 | 112 | P593 | D192-P593 HydrophobicContact CB-CB 4.23Å; D192-P593 HydrophobicContact CB-CG 4.06Å |
| 193 | G | 48.6 | Very low | 47.3 | Very low | 48 Ų | 48 | 133.5 Ų | 133.5 | 50% | 0.495 | 82% | 0.816 | S | S | . | * | | | trans | -74.3 | 174.1 | -156.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | P593 | G193-P593 VanDerWaalsContact CA-O 3.31Å; G193-P593 WeakPolarHBondContact CA-O 3.36Å; G193-P593 PolarHBondContact N-O 2.79Å |
| 194 | L | 45.3 | Very low | 48 | Very low | 167 Ų | 167 | 133 Ų | 133 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 146.5 | -179.5 | -66 | 168.8 | 0 | 0 | 0 | 111.7 | | |
| 195 | P | 60 | Low | 48.6 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 151.2 | 169.1 | -21.2 | 33.5 | 0 | 0 | 0 | 112.8 | | |
| 196 | G | 50.4 | Low | 48.9 | Very low | 70 Ų | 70 | 129.5 Ų | 129.5 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 159.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 197 | L | 50.1 | Low | 49.5 | Very low | 178 Ų | 178 | 132.6 Ų | 132.6 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67 | 143.7 | -176.2 | -63.9 | 170 | 0 | 0 | 0 | 111.9 | | |
| 198 | D | 53.1 | Low | 50.1 | Low | 160 Ų | 160 | 131.9 Ų | 131.9 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 140.7 | 169.9 | -58.9 | -60 | 0 | 0 | 0 | 110.2 | | |
| 199 | G | 48.3 | Very low | 49.9 | Very low | 72 Ų | 72 | 128.9 Ų | 128.9 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 147 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 200 | E | 46.4 | Very low | 50.5 | Low | 197 Ų | 197 | 131.6 Ų | 131.6 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 138.3 | -173.4 | -60.3 | -169.4 | 122.9 | 0 | 0 | 112.8 | G202 | E200-G202 PolarHBondContact O-N 3.01Å; E200-G202 VanDerWaalsContact O-N 3.15Å |
| 201 | D | 55.6 | Low | 50.7 | Low | 164 Ų | 164 | 131 Ų | 131 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 116.3 | 173.4 | -86.2 | -40.1 | 0 | 0 | 0 | 110.1 | L203 | D201-L203 PolarHBondContact O-N 3.4Š|
| 202 | G | 47.9 | Very low | 50.7 | Low | 72 Ų | 72 | 128.2 Ų | 128.2 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 126 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E200 | E200-G202 PolarHBondContact O-N 3.01Å; E200-G202 VanDerWaalsContact O-N 3.15Å |
| 203 | L | 48.3 | Very low | 50.5 | Low | 163 Ų | 163 | 124.9 Ų | 124.9 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 130.7 | -175.3 | -70.8 | 174.4 | 0 | 0 | 0 | 111.3 | D201 G205 | D201-L203 PolarHBondContact O-N 3.4Å; L203-G205 PolarHBondContact O-N 2.83Å |
| 204 | P | 62.2 | Low | 50.6 | Low | 124 Ų | 124 | 125.4 Ų | 125.4 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 116.8 | 177.9 | -27.3 | 35.1 | 0 | 0 | 0 | 111.4 | | |
| 205 | G | 51.9 | Low | 50.2 | Low | 64 Ų | 64 | 119.3 Ų | 119.3 | 66% | 0.66 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -53 | 136.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L203 R207 | L203-G205 PolarHBondContact O-N 2.83Å; G205-R207 PolarHBondContact O-N 3.1Å |
| 206 | P | 50.3 | Low | 49.5 | Very low | 129 Ų | 129 | 119.6 Ų | 119.6 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -60 | 125.9 | -176.8 | 24.6 | -33.6 | 0 | 0 | 0 | 110.1 | G208 | P206-G208 PolarHBondContact O-N 3.04Š|
| 207 | R | 57 | Low | 49.3 | Very low | 241 Ų | 241 | 118.6 Ų | 118.6 | 91% | 0.909 | 74% | 0.735 | S | S | * | * | | | trans | -58 | 111.3 | 179.9 | 177.6 | -178.8 | 175 | -178 | -2.2 | 109.8 | G205 | G205-R207 PolarHBondContact O-N 3.1Š|
| 208 | G | 50.8 | Low | 48.7 | Very low | 56 Ų | 56 | 115 Ų | 115 | 58% | 0.577 | 72% | 0.716 | S | S | * | * | | | trans | -54.8 | 144.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | P206 | P206-G208 PolarHBondContact O-N 3.04Š|
| 209 | P | 46.2 | Very low | 48.1 | Very low | 131 Ų | 131 | 114.7 Ų | 114.7 | 85% | 0.851 | 71% | 0.712 | S | S | * | * | | | trans | -63.4 | 141 | 176.2 | 27.6 | -34.1 | 0 | 0 | 0 | 110.6 | G211 | P209-G211 PolarHBondContact O-N 2.98Š|
| 210 | Q | 57.7 | Low | 48.1 | Very low | 192 Ų | 192 | 113.9 Ų | 113.9 | 90% | 0.897 | 70% | 0.704 | S | S | * | * | | | trans | -73.9 | 113.6 | 177.7 | -179.2 | 177.7 | -28.6 | 0 | 0 | 109.4 | | |
| 211 | G | 47.9 | Very low | 47.6 | Very low | 60 Ų | 60 | 110.2 Ų | 110.2 | 62% | 0.619 | 69% | 0.69 | S | S | * | * | | | trans | -74.8 | 139.9 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | P209 S213 | P209-G211 PolarHBondContact O-N 2.98Å; G211-S213 PolarHBondContact O-N 3.1Å |
| 212 | E | 37 | Very low | 47.2 | Very low | 144 Ų | 144 | 110.4 Ų | 110.4 | 67% | 0.673 | 69% | 0.69 | S | S | * | * | | | trans | -77.8 | 71.2 | 164.5 | -65 | -173.2 | 134.4 | 0 | 0 | 110.4 | L1297 | E212-L1297 WeakPolarHBondContact CB-O 3.2Š|
| 213 | S | 46.2 | Very low | 46.8 | Very low | 68 Ų | 68 | 109.9 Ų | 109.9 | 48% | 0.476 | 68% | 0.684 | S | S | . | * | | | trans | 24.2 | 128.4 | 138.9 | -72.7 | 0 | 0 | 0 | 0 | 117.6 | G211 Q1294 G1295 R1296 | G211-S213 PolarHBondContact O-N 3.1Å; S213-Q1294 VanDerWaalsContact CB-O 3.3Å; S213-Q1294 WeakPolarHBondContact CB-O 3.34Å; S213-G1295 CarbonylContact O-C 3.58Å; S213-G1295 WeakPolarHBondContact O-CA 3.34Å; S213-R1296 CarbonylContact O-C 3.46Å; S213-R1296 WeakPolarHBondContact O-CA 3.33Å |
| 214 | G | 50.3 | Low | 46.4 | Very low | 59 Ų | 59 | 108.8 Ų | 108.8 | 61% | 0.608 | 69% | 0.687 | S | S | * | * | | | trans | -104.3 | 126.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 215 | A | 37 | Very low | 45.5 | Very low | 39 Ų | 39 | 113 Ų | 113 | 32% | 0.322 | 69% | 0.692 | S | S | . | * | | | trans | -101.1 | 119.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G1295 R1296 | A215-G1295 WeakPolarHBondContact CB-O 3.46Å; A215-R1296 HydrophobicContact CB-CB 4.2Å; A215-R1296 VanDerWaalsContact N-CG 3.35Å; A215-R1296 WeakPolarHBondContact O-CD 3.24Å; A215-R1296 PolarHBondContact O-NH1 3.4Å |
| 216 | V | 44.3 | Very low | 44.6 | Very low | 128 Ų | 128 | 113 Ų | 113 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | | | trans | -63.5 | 148.6 | 152.4 | -169.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 217 | G | 47.4 | Very low | 43.8 | Very low | 49 Ų | 49 | 115.7 Ų | 115.7 | 51% | 0.505 | 69% | 0.694 | S | S | . | * | | | cis | 114.1 | 152.7 | 14.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 218 | L | 36 | Very low | 42.6 | Very low | 102 Ų | 102 | 110 Ų | 110 | 53% | 0.534 | 69% | 0.691 | S | S | . | * | | | trans | -147.5 | 159.1 | 165.6 | -95.5 | -171.1 | 0 | 0 | 0 | 110.4 | Y1264 | L218-Y1264 HydrophobicContact CD1-CD2 3.67Å; L218-Y1264 HydrophobicContact CD1-CE2 3.98Å; L218-Y1264 HydrophobicContact CD1-CG 4.31Å; L218-Y1264 HydrophobicContact CD2-CD1 3.99Å; L218-Y1264 HydrophobicContact CD2-CD2 3.8Å; L218-Y1264 HydrophobicContact CD2-CE1 4.07Å; L218-Y1264 HydrophobicContact CD2-CE2 3.86Å; L218-Y1264 HydrophobicContact CD2-CG 3.84Å; L218-Y1264 HydrophobicContact CG-CD2 4.06Å; L218-Y1264 HydrophobicContact CG-CE2 3.97Å |
| 219 | M | 41.7 | Very low | 41.8 | Very low | 154 Ų | 154 | 110.7 Ų | 110.7 | 76% | 0.759 | 70% | 0.699 | S | S | * | * | | | trans | -100.5 | 154.1 | -170 | -164.3 | 163.4 | 67.5 | 0 | 0 | 110.5 | | |
| 220 | G | 48.8 | Very low | 41.2 | Very low | 56 Ų | 56 | 111.4 Ų | 111.4 | 58% | 0.577 | 70% | 0.7 | S | S | * | * | | | trans | -108.9 | 179.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 221 | D | 34.8 | Very low | 39.8 | Very low | 120 Ų | 120 | 112.6 Ų | 112.6 | 64% | 0.642 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 157.6 | 179.7 | -81.7 | 44.7 | 0 | 0 | 0 | 112.1 | M1260 | D221-M1260 HydrophobicContact CB-CE 4.15Å; D221-M1260 VanDerWaalsContact OD1-CE 3.23Å; D221-M1260 WeakPolarHBondContact OD1-CE 3.27Å; D221-M1260 VanDerWaalsContact OD2-CE 3.31Å; D221-M1260 WeakPolarHBondContact OD2-CE 3.32Å |
| 222 | I | 47.7 | Very low | 39.1 | Very low | 168 Ų | 168 | 115.3 Ų | 115.3 | 86% | 0.862 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 138.4 | -161.7 | -64 | 165.5 | 0 | 0 | 0 | 112.2 | | |
| 223 | G | 39.4 | Very low | 38.9 | Very low | 60 Ų | 60 | 115.9 Ų | 115.9 | 62% | 0.619 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 143.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 224 | P | 40.8 | Very low | 38.3 | Very low | 140 Ų | 140 | 116 Ų | 116 | 91% | 0.909 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 159.9 | 175.3 | 30.2 | -34.7 | 0 | 0 | 0 | 112.9 | | |
| 225 | K | 41.5 | Very low | 37.5 | Very low | 213 Ų | 213 | 117.8 Ų | 117.8 | 93% | 0.926 | 69% | 0.689 | S | S | * | * | | | trans | -114.1 | 145.3 | -160.1 | 175.7 | -176.4 | 177 | -178.2 | 0 | 114.1 | | |
| 226 | G | 33.6 | Very low | 37.2 | Very low | 65 Ų | 65 | 118.9 Ų | 118.9 | 67% | 0.67 | 69% | 0.689 | S | S | * | * | | | trans | 123.9 | 147 | 155.3 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 227 | E | 33.1 | Very low | 36.9 | Very low | 184 Ų | 184 | 117.3 Ų | 117.3 | 86% | 0.86 | 68% | 0.675 | S | S | * | * | | | cis | -152.4 | 145 | -3.6 | -68.9 | -167.3 | 100.5 | 0 | 0 | 113.2 | | |
| 228 | S | 33.3 | Very low | 36.5 | Very low | 121 Ų | 121 | 120.3 Ų | 120.3 | 85% | 0.846 | 69% | 0.686 | S | S | * | * | | | trans | 45 | 131.1 | 138.9 | -53.3 | 0 | 0 | 0 | 0 | 123.4 | | |
| 229 | G | 32.3 | Very low | 36.6 | Very low | 72 Ų | 72 | 116.8 Ų | 116.8 | 74% | 0.742 | 67% | 0.674 | S | S | * | * | | | trans | -150.3 | -8.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 230 | V | 34.3 | Very low | 36.5 | Very low | 146 Ų | 146 | 117.6 Ų | 117.6 | 89% | 0.885 | 68% | 0.681 | S | S | * | * | | | trans | 67.4 | 144.5 | 171.4 | -171.7 | 0 | 0 | 0 | 0 | 117.9 | | |
| 231 | Y | 29.3 | Very low | 36.1 | Very low | 217 Ų | 217 | 125.8 Ų | 125.8 | 85% | 0.851 | 70% | 0.695 | S | S | * | * | | | trans | -123.9 | 163.3 | -173.9 | -92.4 | -79.1 | 0 | 0 | 0 | 115.3 | | |
| 232 | N | 32.1 | Very low | 36.3 | Very low | 117 Ų | 117 | 123.3 Ų | 123.3 | 63% | 0.626 | 70% | 0.698 | S | S | * | * | | | trans | 142.3 | 151.3 | 151.7 | -75 | -10.2 | 0 | 0 | 0 | 111 | | |
| 233 | Y | 32.9 | Very low | 35.7 | Very low | 156 Ų | 156 | 124.2 Ų | 124.2 | 61% | 0.612 | 70% | 0.698 | S | S | * | * | | | cis | -168.5 | 169.2 | -9 | -98.6 | -29.4 | 0 | 0 | 0 | 107.9 | Q1638 | Y233-Q1638 VanDerWaalsContact CE2-NE2 3.31Å; Y233-Q1638 PolarHBondContact OH-NE2 3.31Å |
| 234 | T | 32.7 | Very low | 35.6 | Very low | 70 Ų | 70 | 126.8 Ų | 126.8 | 43% | 0.429 | 70% | 0.704 | S | S | . | * | | | cis | -150.4 | 156.7 | -1.5 | 3.8 | 0 | 0 | 0 | 0 | 109.9 | E1637 | T234-E1637 WeakPolarHBondContact CB-OE2 3.26Å; T234-E1637 PolarHBondContact OG1-OE2 3.07Å; T234-E1637 VanDerWaalsContact OG1-OE2 3.14Å |
| 235 | N | 33.5 | Very low | 35.4 | Very low | 96 Ų | 96 | 123 Ų | 123 | 51% | 0.513 | 69% | 0.69 | S | S | . | * | | | trans | 60.7 | 144.5 | 147.5 | -68 | -31.7 | 0 | 0 | 0 | 121.6 | E1637 | N235-E1637 PolarHBondContact ND2-OE2 3.2Š|
| 236 | I | 31.6 | Very low | 35.2 | Very low | 62 Ų | 62 | 119.1 Ų | 119.1 | 32% | 0.318 | 69% | 0.687 | S | S | . | * | | | | 175.7 | 152.6 | 114.2 | -97.4 | 118.2 | 0 | 0 | 0 | 114.2 | V620 R622 | I236-V620 WeakPolarHBondContact CB-O 3.29Å; I236-V620 HydrophobicContact CD1-CG1 4.25Å; I236-V620 VanDerWaalsContact CG1-C 3.49Å; I236-V620 HydrophobicContact CG1-CB 4.15Å; I236-V620 HydrophobicContact CG1-CG1 3.88Å; I236-V620 WeakPolarHBondContact CG1-O 3.28Å; I236-V620 WeakPolarHBondContact CG2-O 3.49Å; I236-R622 HydrophobicContact CD1-CB 3.6Å; I236-R622 HydrophobicContact CD1-CG 4.07Å; I236-R622 VanDerWaalsContact CD1-N 3.33Å; I236-R622 HydrophobicContact CG1-CB 4.48Å; I236-R622 VanDerWaalsContact CG1-N 3.25Å; I236-R622 VanDerWaalsContact CG2-O 3.26Å; I236-R622 WeakPolarHBondContact CG2-O 3.49Å |
| 237 | I | 39.1 | Very low | 35.4 | Very low | 95 Ų | 95 | 127.8 Ų | 127.8 | 49% | 0.487 | 70% | 0.699 | S | S | . | * | | | trans | -118.6 | 136.7 | 173.2 | -60.8 | 178.7 | 0 | 0 | 0 | 111.2 | V620 S621 | I237-V620 PolarHBondContact N-O 3.39Å; I237-S621 PolarHBondContact O-OG 2.64Å |
| 238 | P | 37.8 | Very low | 35.5 | Very low | 113 Ų | 113 | 121.5 Ų | 121.5 | 73% | 0.734 | 68% | 0.684 | S | S | * | * | | | trans | -93.6 | 152.4 | 178.6 | 2.7 | 17.9 | 0 | 0 | 0 | 114 | | |
| 239 | G | 39.4 | Very low | 35.3 | Very low | 27 Ų | 27 | 124.7 Ų | 124.7 | 28% | 0.278 | 69% | 0.685 | S | S | . | * | | | trans | -109.6 | 112.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | K1756 | G239-K1756 WeakPolarHBondContact O-CE 3.48Å; G239-K1756 PolarHBondContact O-NZ 2.87Å |
| 240 | D | 38.9 | Very low | 35.3 | Very low | 172 Ų | 172 | 128.8 Ų | 128.8 | 92% | 0.92 | 69% | 0.69 | S | S | * | * | | | trans | 52.4 | 149.8 | 156.4 | -66.6 | -26.4 | 0 | 0 | 0 | 122.8 | | |
| 241 | R | 40.9 | Very low | 35.2 | Very low | 228 Ų | 228 | 125 Ų | 125 | 86% | 0.86 | 68% | 0.681 | S | S | * | * | | | trans | -113.1 | 115.4 | -157.4 | -172.7 | -176.6 | -160.8 | 163.5 | 8.4 | 112.7 | | |
| 242 | G | 38.6 | Very low | 35.5 | Very low | 68 Ų | 68 | 123.9 Ų | 123.9 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 148.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 243 | E | 33.9 | Very low | 35.9 | Very low | 187 Ų | 187 | 123.5 Ų | 123.5 | 87% | 0.874 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 155.2 | -172.4 | -70.9 | -164.9 | 129.5 | 0 | 0 | 114.4 | G245 | E243-G245 PolarHBondContact O-N 2.83Š|
| 244 | P | 38.5 | Very low | 35.8 | Very low | 113 Ų | 113 | 121.2 Ų | 121.2 | 73% | 0.734 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 122.7 | -164.7 | -20.3 | 34 | 0 | 0 | 0 | 114.7 | | |
| 245 | G | 37 | Very low | 35.7 | Very low | 61 Ų | 61 | 126.8 Ų | 126.8 | 63% | 0.629 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 154 | 150.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | E243 R247 | E243-G245 PolarHBondContact O-N 2.83Å; G245-R247 PolarHBondContact O-N 2.7Å |
| 246 | P | 37.2 | Very low | 35.8 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 86% | 0.857 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 127.1 | -167.6 | 25.1 | -34.4 | 0 | 0 | 0 | 113.6 | | |
| 247 | R | 37.2 | Very low | 35.7 | Very low | 247 Ų | 247 | 133.4 Ų | 133.4 | 93% | 0.932 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 136.4 | 159.6 | -178 | -174.8 | -171.9 | 175.5 | 4 | 109.6 | G245 | G245-R247 PolarHBondContact O-N 2.7Š|
| 248 | G | 34 | Very low | 35.3 | Very low | 52 Ų | 52 | 135.2 Ų | 135.2 | 54% | 0.536 | 76% | 0.758 | S | S | . | * | | | cis | 145.2 | 116.6 | -7.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 249 | Q | 30.6 | Very low | 34.9 | Very low | 187 Ų | 187 | 139 Ų | 139 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | | | trans | 62.6 | 166.1 | 178.5 | -58.6 | 164.3 | -36.5 | 0 | 0 | 112.9 | | |
| 250 | D | 30.9 | Very low | 34.5 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | | | cis | -122.1 | 168.5 | 2.3 | -56.4 | -77.5 | 0 | 0 | 0 | 110.3 | | |
| 251 | G | 32.3 | Very low | 33.9 | Very low | 68 Ų | 68 | 143.6 Ų | 143.6 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | | | cis | -175.6 | -159.5 | 4.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 252 | Q | 36.3 | Very low | 33.4 | Very low | 193 Ų | 193 | 138 Ų | 138 | 90% | 0.902 | 75% | 0.751 | S | S | * | * | | | trans | -77.1 | -177.4 | -178.6 | -52 | 167.9 | -42.6 | 0 | 0 | 112.2 | | |
| 253 | P | 40.8 | Very low | 32.8 | Very low | 108 Ų | 108 | 142.9 Ų | 142.9 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | cis | -140.5 | -179.9 | 2.3 | 35.2 | -12 | 0 | 0 | 0 | 118.2 | | |
| 254 | C | 30 | Very low | 32.5 | Very low | 109 Ų | 109 | 142.3 Ų | 142.3 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | | | trans | 68.3 | 129.1 | 144.9 | 66.9 | 0 | 0 | 0 | 0 | 125.1 | | |
| 255 | E | 31.6 | Very low | 32.1 | Very low | 187 Ų | 187 | 145.2 Ų | 145.2 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | | | trans | 70 | 112 | 147.8 | -67.8 | -178 | -171.5 | 0 | 0 | 122.7 | | |
| 256 | D | 34.6 | Very low | 31.7 | Very low | 139 Ų | 139 | 148.7 Ų | 148.7 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | | | trans | 50.8 | 116.5 | 146.2 | -84.1 | 13.7 | 0 | 0 | 0 | 124.6 | | |
| 257 | M | 29.3 | Very low | 31.2 | Very low | 158 Ų | 158 | 149.1 Ų | 149.1 | 78% | 0.778 | 75% | 0.754 | S | S | * | * | | | trans | 74.5 | 135.8 | 140 | -75 | -173.1 | -86.1 | 0 | 0 | 122.6 | | |
| 258 | D | 31.2 | Very low | 30.8 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | trans | 70.2 | 92 | 152.7 | -82.5 | -25.3 | 0 | 0 | 0 | 122 | | |
| 259 | R | 30.6 | Very low | 30.4 | Very low | 194 Ų | 194 | 148.4 Ų | 148.4 | 73% | 0.732 | 76% | 0.756 | S | S | * | * | | | | 72.1 | 115 | 111.7 | -75 | 179.6 | 74.4 | 158.6 | 8.4 | 122.3 | | |
| 260 | E | 29.1 | Very low | 30.4 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 53% | 0.533 | 75% | 0.746 | S | S | . | * | | | | 81.2 | 138.8 | 118.5 | -137.9 | -179.7 | 158.1 | 0 | 0 | 119.7 | | |
| 261 | Y | 28.2 | Very low | 30.3 | Very low | 181 Ų | 181 | 144.6 Ų | 144.6 | 71% | 0.71 | 73% | 0.734 | S | S | * | * | | | trans | 84.2 | 99.1 | 167.2 | -64.3 | -69.6 | 0 | 0 | 0 | 122.9 | | |
| 262 | T | 28.8 | Very low | 30.4 | Very low | 109 Ų | 109 | 143.4 Ų | 143.4 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | | | | 57.9 | 129 | 123.7 | 58.2 | 0 | 0 | 0 | 0 | 123.9 | | |
| 263 | E | 27.7 | Very low | 30.1 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 80% | 0.799 | 71% | 0.705 | S | S | * | * | | | trans | 57.1 | 111.2 | 134.3 | -62.8 | -176.2 | 140.3 | 0 | 0 | 121.6 | | |
| 264 | E | 27.6 | Very low | 29.5 | Very low | 176 Ų | 176 | 138.1 Ų | 138.1 | 82% | 0.822 | 70% | 0.7 | S | S | * | * | | | trans | 66.8 | 115.6 | 137.3 | -60.5 | -162.6 | 144.8 | 0 | 0 | 122.9 | | |
| 265 | E | 29.8 | Very low | 29.7 | Very low | 173 Ų | 173 | 135 Ų | 135 | 81% | 0.808 | 69% | 0.687 | S | S | * | * | | | trans | 82.7 | 149 | 138.6 | -75.1 | -147.2 | 125.3 | 0 | 0 | 123.7 | | |
| 266 | L | 27.2 | Very low | 29.7 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 70% | 0.702 | 68% | 0.676 | S | S | * | * | | | trans | 88.7 | 108.7 | 155.8 | -103.4 | 71.4 | 0 | 0 | 0 | 121.8 | | |
| 267 | I | 28.1 | Very low | 29.8 | Very low | 141 Ų | 141 | 131 Ų | 131 | 72% | 0.723 | 67% | 0.671 | S | S | * | * | | | trans | 99.7 | 128 | 141.9 | -54.8 | 158 | 0 | 0 | 0 | 118.8 | | |
| 268 | S | 27.6 | Very low | 30.7 | Very low | 103 Ų | 103 | 124.2 Ų | 124.2 | 72% | 0.72 | 64% | 0.641 | S | S | * | * | | | trans | 67.4 | 150.1 | 160.4 | 57.8 | 0 | 0 | 0 | 0 | 118.6 | | |
| 269 | F | 25.2 | Very low | 31.1 | Very low | 182 Ų | 182 | 122.5 Ų | 122.5 | 80% | 0.798 | 64% | 0.637 | S | S | * | * | | | cis | 155.8 | 155.7 | -18.9 | -126.1 | -81 | 0 | 0 | 0 | 104.3 | | |
| 270 | T | 31.2 | Very low | 31.7 | Very low | 108 Ų | 108 | 118 Ų | 118 | 66% | 0.663 | 63% | 0.633 | S | S | * | * | | | trans | 70 | 133.8 | 165.4 | 48 | 0 | 0 | 0 | 0 | 118.5 | | |
| 271 | R | 28 | Very low | 32.7 | Very low | 156 Ų | 156 | 115.6 Ų | 115.6 | 59% | 0.589 | 64% | 0.639 | S | S | * | * | | | cis | 92.2 | 99.8 | 37.5 | 162.2 | 165.7 | -126.5 | 148.5 | 14.2 | 111.7 | T1233 P1234 G1235 | R271-T1233 WeakPolarHBondContact CA-O 3.46Å; R271-T1233 VanDerWaalsContact CB-O 3.3Å; R271-T1233 WeakPolarHBondContact CB-O 3.12Å; R271-T1233 PolarHBondContact N-O 3.19Å; R271-T1233 VanDerWaalsContact N-O 3.11Å; R271-P1234 VanDerWaalsContact CG-C 3.41Å; R271-P1234 WeakPolarHBondContact CG-O 3.26Å; R271-P1234 PolarHBondContact NE-O 2.97Å; R271-P1234 PolarHBondContact NH2-O 2.89Å; R271-G1235 CarbonylContact C-O 3.53Å; R271-G1235 VanDerWaalsContact O-O 3.13Å |
| 272 | G | 34.4 | Very low | 33.3 | Very low | 44 Ų | 44 | 112.8 Ų | 112.8 | 45% | 0.454 | 64% | 0.643 | S | S | . | * | | | cis | 156.5 | -164.4 | -4.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1235 L1236 | G272-G1235 VanDerWaalsContact C-C 3.47Å; G272-G1235 PolarHBondContact N-O 2.86Å; G272-G1235 CarbonylContact O-C 3.45Å; G272-L1236 PolarHBondContact O-N 2.97Å |
| 273 | Q | 30.5 | Very low | 33.7 | Very low | 115 Ų | 115 | 115.3 Ų | 115.3 | 54% | 0.537 | 64% | 0.644 | S | S | . | * | | | trans | 51.7 | 169.5 | 152.4 | -80.2 | -173.6 | -88.7 | 0 | 0 | 121.8 | P1234 L1236 | Q273-P1234 HydrophobicContact CG-CB 4.09Å; Q273-P1234 PolarHBondContact OE1-O 3.23Å; Q273-L1236 CarbonylContact C-O 3.59Å; Q273-L1236 VanDerWaalsContact CB-O 3.31Å; Q273-L1236 WeakPolarHBondContact CB-O 3.3Å |
| 274 | A | 28.7 | Very low | 34.1 | Very low | 74 Ų | 74 | 110.1 Ų | 110.1 | 61% | 0.612 | 64% | 0.637 | S | S | * | * | | | cis | -159.1 | -91.9 | -17.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | L1236 | A274-L1236 WeakPolarHBondContact CB-O 3.2Å; A274-L1236 PolarHBondContact N-O 3.32Å |
| 275 | G | 33.8 | Very low | 34.5 | Very low | 45 Ų | 45 | 107.5 Ų | 107.5 | 46% | 0.464 | 63% | 0.628 | S | S | . | * | | | trans | -127.8 | -155.2 | -155.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 276 | D | 31.6 | Very low | 34.9 | Very low | 119 Ų | 119 | 104.9 Ų | 104.9 | 64% | 0.636 | 63% | 0.63 | S | S | * | * | | | trans | 139.9 | 110.5 | -167.8 | 61.7 | -94.1 | 0 | 0 | 0 | 113.5 | G1238 D1239 | D276-G1238 WeakPolarHBondContact OD1-CA 3.5Å; D276-D1239 HydrophobicContact CB-CB 4.29Å; D276-D1239 WeakPolarHBondContact CB-OD2 3.49Å; D276-D1239 PolarHBondContact N-O 2.71Å; D276-D1239 PolarHBondContact OD1-N 2.78Å |
| 277 | I | 37.4 | Very low | 35.1 | Very low | 123 Ų | 123 | 101.7 Ų | 101.7 | 63% | 0.631 | 63% | 0.629 | S | S | * | * | | | cis | -160.8 | 146.5 | -5.7 | 170.2 | 160.3 | 0 | 0 | 0 | 109.6 | D1239 G1241 | I277-D1239 WeakPolarHBondContact CA-OD2 3.34Å; I277-D1239 WeakPolarHBondContact CB-OD2 3.47Å; I277-D1239 WeakPolarHBondContact CD1-OD2 3.48Å; I277-D1239 WeakPolarHBondContact CG1-OD2 3.29Å; I277-G1241 CarbonylContact C-O 3.39Å; I277-G1241 VanDerWaalsContact O-O 3.1Å |
| 278 | G | 47.3 | Very low | 35.4 | Very low | 15 Ų | 15 | 104.2 Ų | 104.2 | 16% | 0.155 | 64% | 0.638 | C | S | . | * | | | trans | -169 | 154.5 | 173 | 0 | 0 | 0 | 0 | 0 | 124 | I1240 P1242 | G278-I1240 VanDerWaalsContact O-O 3.1Å; G278-P1242 VanDerWaalsContact CA-CD 3.5Å; G278-P1242 VanDerWaalsContact CA-CG 3.43Å |
| 279 | P | 41 | Very low | 36 | Very low | 95 Ų | 95 | 105.1 Ų | 105.1 | 62% | 0.617 | 64% | 0.641 | S | S | * | * | | | trans | -151.2 | -174.1 | 150.8 | 44.9 | -28.4 | 0 | 0 | 0 | 114.6 | P1242 | P279-P1242 VanDerWaalsContact C-CB 3.46Å; P279-P1242 VanDerWaalsContact N-CB 3.33Å; P279-P1242 WeakPolarHBondContact O-CB 3.47Å; P279-P1242 VanDerWaalsContact O-CG 3.31Å; P279-P1242 WeakPolarHBondContact O-CG 3.31Å |
| 280 | P | 42.3 | Very low | 36.4 | Very low | 99 Ų | 99 | 100.1 Ų | 100.1 | 64% | 0.643 | 64% | 0.641 | S | S | * | * | | | | -138.6 | 159.6 | -65.6 | 41.8 | -24.8 | 0 | 0 | 0 | 115.3 | | |
| 281 | G | 50.2 | Low | 37.1 | Very low | 65 Ų | 65 | 103.1 Ų | 103.1 | 67% | 0.67 | 65% | 0.653 | S | S | * | * | | | trans | -83.3 | 142.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 282 | P | 41.5 | Very low | 37.4 | Very low | 121 Ų | 121 | 105.3 Ų | 105.3 | 79% | 0.786 | 67% | 0.67 | S | S | * | * | | | trans | -144 | 167.4 | 144.4 | 40.2 | -26.4 | 0 | 0 | 0 | 112.3 | | |
| 283 | K | 35.6 | Very low | 37.9 | Very low | 162 Ų | 162 | 106.5 Ų | 106.5 | 70% | 0.704 | 68% | 0.682 | S | S | * | * | | | cis | -158.1 | 166.1 | 3.7 | -134.3 | -174.6 | 174.6 | -86.5 | 0 | 106 | D285 | K283-D285 IonicContact NZ-OD1 2.64Å; K283-D285 PolarHBondContact NZ-OD1 2.79Å; K283-D285 IonicContact NZ-OD2 2.64Å; K283-D285 PolarHBondContact NZ-OD2 2.79Å |
| 284 | G | 37.6 | Very low | 38.4 | Very low | 62 Ų | 62 | 108.3 Ų | 108.3 | 64% | 0.639 | 70% | 0.695 | S | S | * | * | | | | 69.2 | 142.1 | 53.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 285 | D | 36.4 | Very low | 38.8 | Very low | 121 Ų | 121 | 112.9 Ų | 112.9 | 65% | 0.647 | 71% | 0.706 | S | S | * | * | | | cis | -160.5 | 162.6 | 0.8 | -13.6 | -85.2 | 0 | 0 | 0 | 108 | K283 | K283-D285 IonicContact NZ-OD1 2.64Å; K283-D285 PolarHBondContact NZ-OD1 2.79Å; K283-D285 IonicContact NZ-OD2 2.64Å; K283-D285 PolarHBondContact NZ-OD2 2.79Å |
| 286 | S | 36.8 | Very low | 38.8 | Very low | 119 Ų | 119 | 114.1 Ų | 114.1 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | | | cis | 179 | 137.9 | -19.1 | 51.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 287 | G | 32.1 | Very low | 39.1 | Very low | 67 Ų | 67 | 116.8 Ų | 116.8 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | | | trans | 139.6 | 139.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 288 | E | 35 | Very low | 39.1 | Very low | 193 Ų | 193 | 120 Ų | 120 | 90% | 0.902 | 75% | 0.745 | S | S | * | * | | | cis | 82.3 | 155.5 | 48.7 | -79.2 | -172.8 | 177 | 0 | 0 | 114.4 | | |
| 289 | P | 40.5 | Very low | 38.5 | Very low | 122 Ų | 122 | 122.4 Ų | 122.4 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | | | cis | -138.5 | 177.1 | -13.1 | 35.9 | -16.9 | 0 | 0 | 0 | 116.1 | | |
| 290 | G | 32.7 | Very low | 38.4 | Very low | 77 Ų | 77 | 127.5 Ų | 127.5 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | | | | 114.6 | 120.5 | 129.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 291 | D | 46.3 | Very low | 38.3 | Very low | 171 Ų | 171 | 132 Ų | 132 | 91% | 0.914 | 80% | 0.798 | S | S | * | * | | | trans | -85.5 | 136.7 | 162.1 | -56.4 | -81.5 | 0 | 0 | 0 | 111.9 | | |
| 292 | E | 34.8 | Very low | 37.6 | Very low | 203 Ų | 203 | 132.2 Ų | 132.2 | 95% | 0.949 | 80% | 0.8 | S | S | * | * | | | | -161.7 | 169.3 | 125.1 | -149.1 | 161.1 | -159.6 | 0 | 0 | 109.1 | | |
| 293 | G | 44.4 | Very low | 37.5 | Very low | 69 Ų | 69 | 131.8 Ų | 131.8 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | | | trans | -138.4 | 142.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 294 | D | 40.3 | Very low | 38.1 | Very low | 152 Ų | 152 | 129.2 Ų | 129.2 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | | | trans | -143.2 | 165.8 | 178.4 | -142.6 | -18.8 | 0 | 0 | 0 | 111.6 | | |
| 295 | M | 37.8 | Very low | 38.4 | Very low | 170 Ų | 170 | 127.9 Ų | 127.9 | 84% | 0.837 | 78% | 0.778 | S | S | * | * | | | trans | -87.3 | 127.5 | -159.8 | -71.2 | 161.8 | -76.7 | 0 | 0 | 116 | | |
| 296 | G | 34 | Very low | 38.4 | Very low | 71 Ų | 71 | 127.3 Ų | 127.3 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | | | | 52.7 | 124.8 | 118.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 297 | L | 37.9 | Very low | 38.5 | Very low | 176 Ų | 176 | 127.9 Ų | 127.9 | 92% | 0.921 | 76% | 0.759 | S | S | * | * | | | trans | -126.3 | 109.8 | 148.1 | -79.7 | 178.5 | 0 | 0 | 0 | 111.1 | | |
| 298 | Q | 36.2 | Very low | 39.2 | Very low | 190 Ų | 190 | 127.8 Ų | 127.8 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | | | trans | -59 | 140.4 | 144.1 | 178 | -175.2 | 21.7 | 0 | 0 | 107.8 | | |
| 299 | G | 35.9 | Very low | 39.4 | Very low | 66 Ų | 66 | 127.1 Ų | 127.1 | 68% | 0.68 | 76% | 0.755 | S | S | * | * | | | cis | 141 | 152.8 | 5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 300 | E | 37.9 | Very low | 39.5 | Very low | 201 Ų | 201 | 126.8 Ų | 126.8 | 94% | 0.939 | 76% | 0.756 | S | S | * | * | | | trans | -129.2 | 136.1 | 161.6 | -78.5 | -159.9 | 145.6 | 0 | 0 | 110.3 | | |
| 301 | E | 40.5 | Very low | 40 | Very low | 194 Ų | 194 | 126.2 Ų | 126.2 | 91% | 0.907 | 75% | 0.75 | S | S | * | * | | | trans | -72.3 | 156 | 170.1 | -62.5 | 154.6 | 94.8 | 0 | 0 | 109.6 | | |
| 302 | G | 36.4 | Very low | 39.3 | Very low | 70 Ų | 70 | 127.2 Ų | 127.2 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | | | cis | 128.4 | 145.3 | 5.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 303 | S | 39.4 | Very low | 40 | Very low | 111 Ų | 111 | 123.6 Ų | 123.6 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | | | trans | -154.6 | 75.4 | 166.6 | 60.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 304 | I | 47 | Very low | 39.9 | Very low | 109 Ų | 109 | 123.5 Ų | 123.5 | 56% | 0.559 | 74% | 0.742 | S | S | * | * | | | | 36.6 | 119.8 | 125.5 | -41.1 | 149.4 | 0 | 0 | 0 | 115 | R1276 | I304-R1276 HydrophobicContact CG2-CG 4.34Å; I304-R1276 VanDerWaalsContact CG2-CZ 3.48Å; I304-R1276 VanDerWaalsContact CG2-NH2 3.26Å; I304-R1276 PolarHBondContact O-NH1 3.38Å |
| 305 | G | 45.2 | Very low | 39.6 | Very low | 33 Ų | 33 | 125 Ų | 125 | 34% | 0.34 | 75% | 0.749 | S | S | . | * | | | cis | 177.3 | 175 | 2.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | R1276 | G305-R1276 WeakPolarHBondContact O-CA 3.42Å; G305-R1276 WeakPolarHBondContact O-CB 3.41Å; G305-R1276 PolarHBondContact O-N 3.28Å |
| 306 | E | 35 | Very low | 39.9 | Very low | 110 Ų | 110 | 125 Ų | 125 | 51% | 0.514 | 75% | 0.753 | S | S | . | * | | | trans | -108.2 | 139.4 | -164.8 | -78.3 | 146.4 | -137.5 | 0 | 0 | 114.8 | K1270 G1274 R1276 G1277 | E306-K1270 VanDerWaalsContact OE1-CE 3.3Å; E306-K1270 WeakPolarHBondContact OE1-CE 3.4Å; E306-K1270 IonicContact OE1-NZ 2.66Å; E306-K1270 PolarHBondContact OE1-NZ 3.46Å; E306-K1270 WeakPolarHBondContact OE2-CE 3.18Å; E306-K1270 IonicContact OE2-NZ 2.72Å; E306-K1270 PolarHBondContact OE2-NZ 3.15Å; E306-G1274 VanDerWaalsContact CA-O 3.27Å; E306-G1274 WeakPolarHBondContact CA-O 3.35Å; E306-R1276 VanDerWaalsContact C-N 3.33Å; E306-G1277 PolarHBondContact O-N 2.95Å |
| 307 | K | 38.8 | Very low | 40.3 | Very low | 130 Ų | 130 | 124.6 Ų | 124.6 | 57% | 0.565 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 130.7 | 173.8 | -160.9 | 178.5 | 179.5 | -163.9 | 0 | 107.8 | G1274 L1275 | K307-G1274 PolarHBondContact N-O 3.46Å; K307-L1275 VanDerWaalsContact CB-C 3.48Å; K307-L1275 VanDerWaalsContact CB-N 3.33Å; K307-L1275 WeakPolarHBondContact CB-O 3.48Å |
| 308 | G | 48.4 | Very low | 40.2 | Very low | 65 Ų | 65 | 122.7 Ų | 122.7 | 67% | 0.67 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 122.3 | 155.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 309 | E | 37.5 | Very low | 40.9 | Very low | 179 Ų | 179 | 119.9 Ų | 119.9 | 84% | 0.836 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 151.7 | 155.1 | -65.6 | -173.4 | 132.5 | 0 | 0 | 108.6 | G311 | E309-G311 PolarHBondContact O-N 3.42Š|
| 310 | S | 42.9 | Very low | 41.1 | Very low | 116 Ų | 116 | 120.1 Ų | 120.1 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 129.7 | -164.2 | 40.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 311 | G | 42.9 | Very low | 41.3 | Very low | 64 Ų | 64 | 117.8 Ų | 117.8 | 66% | 0.66 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 151.7 | 155.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | E309 | E309-G311 PolarHBondContact O-N 3.42Š|
| 312 | E | 31.5 | Very low | 41 | Very low | 193 Ų | 193 | 116.8 Ų | 116.8 | 90% | 0.902 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 129.3 | 178.9 | -62.7 | 164.6 | 116.5 | 0 | 0 | 111.3 | G314 | E312-G314 PolarHBondContact O-N 2.81Š|
| 313 | P | 50.3 | Low | 41.2 | Very low | 127 Ų | 127 | 117.3 Ų | 117.3 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 119.7 | 172.6 | -23.2 | 34.6 | 0 | 0 | 0 | 111.3 | | |
| 314 | G | 43 | Very low | 41 | Very low | 67 Ų | 67 | 120.2 Ų | 120.2 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 143.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | E312 D316 | E312-G314 PolarHBondContact O-N 2.81Å; G314-D316 PolarHBondContact O-N 3.32Å; G314-D316 VanDerWaalsContact O-N 3.13Å |
| 315 | L | 34 | Very low | 40.7 | Very low | 183 Ų | 183 | 122.1 Ų | 122.1 | 96% | 0.958 | 76% | 0.758 | S | S | * | * | | | trans | -54.4 | 112.5 | -176.2 | -61.1 | 168.9 | 0 | 0 | 0 | 112.5 | | |
| 316 | D | 44.3 | Very low | 40.3 | Very low | 171 Ų | 171 | 123.6 Ų | 123.6 | 91% | 0.914 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 137.6 | 168 | -98.2 | -33.5 | 0 | 0 | 0 | 110.3 | G314 | G314-D316 PolarHBondContact O-N 3.32Å; G314-D316 VanDerWaalsContact O-N 3.13Å |
| 317 | G | 41.6 | Very low | 40.6 | Very low | 61 Ų | 61 | 124 Ų | 124 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 155.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | P319 | G317-P319 WeakPolarHBondContact O-CD 3.36Š|
| 318 | D | 35.6 | Very low | 40.7 | Very low | 136 Ų | 136 | 125.5 Ų | 125.5 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 120.2 | -164.6 | -44.5 | -79.6 | 0 | 0 | 0 | 116 | G320 | D318-G320 PolarHBondContact O-N 2.89Š|
| 319 | P | 50.2 | Low | 40.3 | Very low | 131 Ų | 131 | 125.7 Ų | 125.7 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | | | trans | -77.1 | 105.2 | 159.9 | -11.5 | 29.5 | 0 | 0 | 0 | 109.6 | G317 | G317-P319 WeakPolarHBondContact O-CD 3.36Š|
| 320 | G | 41.7 | Very low | 40.3 | Very low | 72 Ų | 72 | 126.1 Ų | 126.1 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | | | trans | -74.1 | 161.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | D318 | D318-G320 PolarHBondContact O-N 2.89Š|
| 321 | E | 41.9 | Very low | 39.9 | Very low | 152 Ų | 152 | 125.6 Ų | 125.6 | 71% | 0.71 | 81% | 0.805 | S | S | * | * | | | trans | -61.6 | 140.2 | 173.5 | -48.9 | 164.5 | 112 | 0 | 0 | 113.5 | K163 | K163-E321 IonicContact NZ-OE2 2.59Å; K163-E321 PolarHBondContact NZ-OE2 3.45Å; K163-E321 VanDerWaalsContact NZ-OE2 3.12Å |
| 322 | D | 34.4 | Very low | 39.7 | Very low | 173 Ų | 173 | 125.2 Ų | 125.2 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | | | trans | 170.9 | 132.9 | 135.3 | -95.9 | -25.3 | 0 | 0 | 0 | 110.1 | | |
| 323 | G | 40.4 | Very low | 40 | Very low | 81 Ų | 81 | 123.8 Ų | 123.8 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | | | trans | 154.5 | 86.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 324 | D | 34.5 | Very low | 39.5 | Very low | 172 Ų | 172 | 125.4 Ų | 125.4 | 92% | 0.92 | 80% | 0.801 | S | S | * | * | | | trans | -69.9 | 164.7 | 171.2 | -101.6 | -51.2 | 0 | 0 | 0 | 114.9 | | |
| 325 | V | 41 | Very low | 39.5 | Very low | 148 Ų | 148 | 125 Ų | 125 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | | | trans | -79.4 | 140 | -156.7 | 177.1 | 0 | 0 | 0 | 0 | 117.3 | | |
| 326 | G | 35.5 | Very low | 39.7 | Very low | 64 Ų | 64 | 120.8 Ų | 120.8 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | | | trans | 132.5 | 174.1 | 138.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 327 | P | 43.3 | Very low | 39.2 | Very low | 119 Ų | 119 | 120.6 Ų | 120.6 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | cis | -136.8 | 142.3 | -3.8 | 39 | -21.2 | 0 | 0 | 0 | 117.4 | | |
| 328 | I | 39 | Very low | 39 | Very low | 162 Ų | 162 | 120.8 Ų | 120.8 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | | | trans | 44.3 | 126 | 132.2 | -54.7 | 173.2 | 0 | 0 | 0 | 121.7 | | |
| 329 | G | 41.2 | Very low | 39.9 | Very low | 69 Ų | 69 | 118.5 Ų | 118.5 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | | 133.8 | 148.9 | 127.2 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 330 | Q | 36.9 | Very low | 39.5 | Very low | 188 Ų | 188 | 117.9 Ų | 117.9 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | | | cis | -159.5 | 166.7 | -8 | -116.1 | 179.7 | 12.4 | 0 | 0 | 110.8 | | |
| 331 | A | 34.8 | Very low | 39.5 | Very low | 105 Ų | 105 | 116.8 Ų | 116.8 | 87% | 0.868 | 76% | 0.76 | S | S | * | * | | | trans | -87.6 | -173.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 332 | G | 39.2 | Very low | 40.2 | Very low | 56 Ų | 56 | 113.6 Ų | 113.6 | 58% | 0.577 | 75% | 0.752 | S | S | * | * | | | cis | 169.5 | -139.9 | 11.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 333 | N | 37.3 | Very low | 40.5 | Very low | 162 Ų | 162 | 113.9 Ų | 113.9 | 87% | 0.866 | 75% | 0.748 | S | S | * | * | | | trans | 82.1 | 136.5 | 174.4 | -48.8 | -56.5 | 0 | 0 | 0 | 115.7 | | |
| 334 | L | 39.8 | Very low | 40.4 | Very low | 162 Ų | 162 | 113.4 Ų | 113.4 | 85% | 0.848 | 74% | 0.744 | S | S | * | * | | | cis | -163.5 | 156.8 | 0.9 | -168.7 | 67.6 | 0 | 0 | 0 | 108.4 | | |
| 335 | G | 42.7 | Very low | 40.6 | Very low | 57 Ų | 57 | 108.8 Ų | 108.8 | 59% | 0.588 | 73% | 0.729 | S | S | * | * | | | cis | 154.7 | 165 | -7.7 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 336 | S | 37.6 | Very low | 40.4 | Very low | 95 Ų | 95 | 110.1 Ų | 110.1 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | | | trans | 56.7 | 104.3 | 165.9 | 63.7 | 0 | 0 | 0 | 0 | 121.9 | | |
| 337 | D | 34.8 | Very low | 40.5 | Very low | 167 Ų | 167 | 110.8 Ų | 110.8 | 89% | 0.893 | 74% | 0.736 | S | S | * | * | | | | 63.7 | 143.8 | 126.9 | -37.6 | -32.1 | 0 | 0 | 0 | 122 | | |
| 338 | G | 38.4 | Very low | 40.4 | Very low | 65 Ų | 65 | 109.1 Ų | 109.1 | 67% | 0.67 | 74% | 0.74 | S | S | * | * | | | cis | -171.3 | -179 | 0.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 339 | P | 53.3 | Low | 40.7 | Very low | 89 Ų | 89 | 112 Ų | 112 | 58% | 0.578 | 75% | 0.747 | S | S | * | * | | | trans | -100.7 | 145.7 | -165.3 | 37.6 | -35.1 | 0 | 0 | 0 | 116.6 | | |
| 340 | P | 41.3 | Very low | 40.6 | Very low | 117 Ų | 117 | 111.6 Ų | 111.6 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | | | trans | -147.2 | 165 | 131.8 | 37.7 | -23 | 0 | 0 | 0 | 113.1 | | |
| 341 | G | 42.2 | Very low | 40.8 | Very low | 49 Ų | 49 | 111 Ų | 111 | 51% | 0.505 | 75% | 0.746 | S | S | . | * | | | cis | 174.8 | 167.2 | -4.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 342 | P | 56.4 | Low | 40.8 | Very low | 85 Ų | 85 | 117.9 Ų | 117.9 | 55% | 0.552 | 75% | 0.749 | S | S | * | * | | | trans | -73.9 | 178.5 | -178.2 | -18 | 33.8 | 0 | 0 | 0 | 114.8 | D141 | D141-P342 WeakPolarHBondContact OD2-CG 3.04Š|
| 343 | E | 40.3 | Very low | 40.7 | Very low | 179 Ų | 179 | 118.7 Ų | 118.7 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | | | cis | -150.8 | -178.3 | 7.2 | -154.3 | -143.1 | 157.6 | 0 | 0 | 110.3 | | |
| 344 | G | 38.6 | Very low | 40.8 | Very low | 72 Ų | 72 | 116.4 Ų | 116.4 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | | | trans | 177 | 122.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 345 | A | 38.3 | Very low | 40.4 | Very low | 74 Ų | 74 | 117.9 Ų | 117.9 | 61% | 0.612 | 75% | 0.754 | S | S | * | * | | | trans | -124.7 | 145.8 | -163.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 346 | I | 37.8 | Very low | 39.8 | Very low | 177 Ų | 177 | 118.5 Ų | 118.5 | 91% | 0.908 | 76% | 0.76 | S | S | * | * | | | trans | 73.6 | 130.4 | 150.6 | -64.6 | 160.4 | 0 | 0 | 0 | 121.2 | | |
| 347 | G | 37.8 | Very low | 39.8 | Very low | 77 Ų | 77 | 124.9 Ų | 124.9 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | | | trans | 144.1 | 118.5 | 153.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 348 | G | 41.9 | Very low | 40.1 | Very low | 84 Ų | 84 | 123.9 Ų | 123.9 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | | | cis | -158.2 | -161 | 4.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 349 | K | 43.3 | Very low | 39.9 | Very low | 223 Ų | 223 | 124 Ų | 124 | 97% | 0.97 | 77% | 0.766 | S | S | * | * | | | trans | -123.2 | 145.7 | -156.3 | -179.6 | 176.8 | -178.4 | 172.1 | 0 | 115.8 | | |
| 350 | G | 39.9 | Very low | 39 | Very low | 60 Ų | 60 | 128.5 Ų | 128.5 | 62% | 0.619 | 78% | 0.784 | S | S | * | * | | | trans | 159.9 | 140.8 | 167 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 351 | D | 40.6 | Very low | 38.7 | Very low | 177 Ų | 177 | 131.5 Ų | 131.5 | 95% | 0.947 | 79% | 0.788 | S | S | * | * | | | cis | -132.8 | -161.7 | 1.3 | -78.7 | -42.7 | 0 | 0 | 0 | 111.8 | | |
| 352 | R | 35.2 | Very low | 38.6 | Very low | 249 Ų | 249 | 131.9 Ų | 131.9 | 94% | 0.94 | 79% | 0.792 | S | S | * | * | | | trans | -138.1 | 120.5 | -147 | -173.1 | -169.7 | -162.1 | 179.9 | 5.3 | 117 | | |
| 353 | G | 36.8 | Very low | 37.4 | Very low | 73 Ų | 73 | 134 Ų | 134 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | trans | 72 | -173.8 | 150.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 354 | P | 39.2 | Very low | 37.7 | Very low | 114 Ų | 114 | 131 Ų | 131 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | | | cis | -125.9 | 170.2 | 1.5 | 39.1 | -23.6 | 0 | 0 | 0 | 116.5 | | |
| 355 | H | 31.2 | Very low | 38 | Very low | 192 Ų | 192 | 130.4 Ų | 130.4 | 89% | 0.889 | 79% | 0.789 | S | S | * | * | | | trans | -3.9 | 138.7 | 153.8 | -41 | 80 | 0 | 0 | 0 | 117.1 | | |
| 356 | G | 31.6 | Very low | 37.7 | Very low | 70 Ų | 70 | 130.9 Ų | 130.9 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | | | cis | 147.9 | 166.6 | 47.7 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 357 | R | 37.6 | Very low | 37.9 | Very low | 229 Ų | 229 | 127 Ų | 127 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | cis | -123 | 143.2 | 24.3 | -58.6 | 166.5 | 175.4 | 167.5 | -5.8 | 111.2 | | |
| 358 | D | 40.7 | Very low | 37.7 | Very low | 146 Ų | 146 | 127 Ų | 127 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | | | | 21.5 | 129.5 | 107.4 | -16.6 | -52.7 | 0 | 0 | 0 | 115.4 | | |
| 359 | G | 33.6 | Very low | 37.9 | Very low | 69 Ų | 69 | 130.6 Ų | 130.6 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | cis | 116.8 | 95.3 | 20 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q361 | G359-Q361 VanDerWaalsContact C-N 3.35Å; G359-Q361 PolarHBondContact O-N 2.85Å |
| 360 | L | 34.7 | Very low | 37.4 | Very low | 183 Ų | 183 | 126.2 Ų | 126.2 | 96% | 0.958 | 77% | 0.772 | S | S | * | * | | | trans | -75.4 | 90.2 | -178.1 | -70.8 | 176.5 | 0 | 0 | 0 | 110.5 | G362 | L360-G362 PolarHBondContact O-N 2.68Š|
| 361 | Q | 35.5 | Very low | 37 | Very low | 179 Ų | 179 | 126.6 Ų | 126.6 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | | | trans | -6.6 | 116.4 | 146.3 | -176.8 | 173.3 | -0.1 | 0 | 0 | 114.3 | G359 | G359-Q361 VanDerWaalsContact C-N 3.35Å; G359-Q361 PolarHBondContact O-N 2.85Å |
| 362 | G | 40.2 | Very low | 36.5 | Very low | 57 Ų | 57 | 128.1 Ų | 128.1 | 59% | 0.588 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 164.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L360 P364 | L360-G362 PolarHBondContact O-N 2.68Å; G362-P364 VanDerWaalsContact O-CD 3.28Å; G362-P364 WeakPolarHBondContact O-CD 3.49Å |
| 363 | D | 31.1 | Very low | 36.3 | Very low | 130 Ų | 130 | 120.6 Ų | 120.6 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 119 | 173.6 | -54 | -21.8 | 0 | 0 | 0 | 110.6 | K394 | D363-K394 IonicContact OD2-NZ 2.63Å; D363-K394 PolarHBondContact OD2-NZ 2.96Å |
| 364 | P | 46.3 | Very low | 36.2 | Very low | 116 Ų | 116 | 123.1 Ų | 123.1 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -76 | 137.4 | 169.1 | -11.4 | 29.2 | 0 | 0 | 0 | 110.1 | G362 | G362-P364 VanDerWaalsContact O-CD 3.28Å; G362-P364 WeakPolarHBondContact O-CD 3.49Å |
| 365 | G | 44.8 | Very low | 35.6 | Very low | 60 Ų | 60 | 123.5 Ų | 123.5 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 148.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 366 | P | 32.7 | Very low | 36 | Very low | 83 Ų | 83 | 119.6 Ų | 119.6 | 54% | 0.539 | 76% | 0.761 | S | S | . | * | P | Polyproline II helix | trans | -65 | 138.7 | 177.1 | 27.3 | -34 | 0 | 0 | 0 | 110.9 | D679 D680 | P366-D679 HydrophobicContact CB-CB 4.18Å; P366-D680 WeakPolarHBondContact CG-OD2 3.04Å |
| 367 | A | 41.6 | Very low | 35.9 | Very low | 96 Ų | 96 | 122.2 Ų | 122.2 | 79% | 0.793 | 76% | 0.763 | S | S | * | * | | | trans | -136.5 | 128.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 368 | G | 34 | Very low | 35.7 | Very low | 77 Ų | 77 | 119.3 Ų | 119.3 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | | | trans | -64.3 | 151.5 | -173 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 369 | I | 45.8 | Very low | 35.6 | Very low | 160 Ų | 160 | 118.9 Ų | 118.9 | 82% | 0.821 | 75% | 0.751 | S | S | * | * | | | trans | -76.9 | 144.8 | -173.1 | -42.7 | 168.6 | 0 | 0 | 0 | 111.6 | | |
| 370 | P | 31.5 | Very low | 35.8 | Very low | 131 Ų | 131 | 120.8 Ų | 120.8 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | | | trans | -145.6 | 92.5 | 130.5 | 33.7 | -16.1 | 0 | 0 | 0 | 116.9 | | |
| 371 | G | 32.1 | Very low | 36.6 | Very low | 67 Ų | 67 | 114.2 Ų | 114.2 | 69% | 0.691 | 71% | 0.708 | S | S | * | * | | | trans | 81.1 | 173.4 | 152 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 372 | K | 29.8 | Very low | 36.7 | Very low | 210 Ų | 210 | 111 Ų | 111 | 91% | 0.913 | 69% | 0.691 | S | S | * | * | | | cis | -169.9 | 113.6 | 4.5 | -155.2 | 175.4 | -167 | 167.3 | 0 | 112.6 | | |
| 373 | A | 32.5 | Very low | 36.6 | Very low | 91 Ų | 91 | 111.2 Ų | 111.2 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | | | trans | -179.6 | 103.7 | 154.8 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 374 | T | 33 | Very low | 36.8 | Very low | 125 Ų | 125 | 112.4 Ų | 112.4 | 77% | 0.767 | 70% | 0.695 | S | S | * | * | | | trans | 35.7 | 109.5 | 135.1 | 55.3 | 0 | 0 | 0 | 0 | 123.4 | | |
| 375 | C | 27.9 | Very low | 36.5 | Very low | 122 Ų | 122 | 116 Ų | 116 | 82% | 0.824 | 70% | 0.699 | S | S | * | * | | | | 48.3 | 154.8 | 109.1 | -58.4 | 0 | 0 | 0 | 0 | 122.9 | | |
| 376 | P | 38.7 | Very low | 36.2 | Very low | 110 Ų | 110 | 116.4 Ų | 116.4 | 71% | 0.714 | 70% | 0.703 | S | S | * | * | | | cis | -145.2 | 171.8 | -18.8 | 36 | -14.1 | 0 | 0 | 0 | 118.7 | | |
| 377 | V | 30.7 | Very low | 36.3 | Very low | 126 Ų | 126 | 120.7 Ų | 120.7 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | | | trans | 67.9 | 116.4 | 153.9 | -70.3 | 0 | 0 | 0 | 0 | 125.1 | | |
| 378 | E | 33.2 | Very low | 36.6 | Very low | 168 Ų | 168 | 121.4 Ų | 121.4 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | | | trans | 87.1 | 109.1 | 133.4 | -70.2 | -173.5 | 168.9 | 0 | 0 | 124.8 | | |
| 379 | F | 37.6 | Very low | 36.6 | Very low | 137 Ų | 137 | 120.7 Ų | 120.7 | 60% | 0.601 | 71% | 0.71 | S | S | * | * | | | trans | 90.8 | 107.5 | 136.7 | -80 | -129.2 | 0 | 0 | 0 | 124 | | |
| 380 | F | 38.3 | Very low | 36.1 | Very low | 109 Ų | 109 | 121.8 Ų | 121.8 | 48% | 0.478 | 71% | 0.711 | S | S | . | * | | | | 102.7 | 146.8 | 123.2 | -74.2 | 16 | 0 | 0 | 0 | 122.3 | G1519 E1520 | F380-G1519 VanDerWaalsContact CE2-CA 3.48Å; F380-G1519 VanDerWaalsContact CZ-CA 3.44Å; F380-E1520 HydrophobicContact CD1-CB 4.02Å; F380-E1520 HydrophobicContact CD1-CG 4.16Å; F380-E1520 VanDerWaalsContact CD1-N 3.3Å; F380-E1520 HydrophobicContact CE1-CB 4.17Å; F380-E1520 VanDerWaalsContact CE1-N 3.26Å; F380-E1520 VanDerWaalsContact CE1-O 3.3Å; F380-E1520 WeakPolarHBondContact CE1-O 3.45Å; F380-E1520 PolarHBondContact N-OE2 2.87Å |
| 381 | P | 51.7 | Low | 37.2 | Very low | 45 Ų | 45 | 121.7 Ų | 121.7 | 29% | 0.292 | 71% | 0.71 | S | S | . | * | | | | -146.4 | -133.2 | -122.8 | 49.9 | -31.3 | 0 | 0 | 0 | 120.6 | D1517 T1518 E1520 | P381-D1517 HydrophobicContact CG-CB 4.49Å; P381-D1517 WeakPolarHBondContact O-CB 3.34Å; P381-T1518 WeakPolarHBondContact CG-O 3.44Å; P381-E1520 HydrophobicContact CB-CG 3.52Å; P381-E1520 HydrophobicContact CG-CG 3.79Å |
| 382 | K | 36.8 | Very low | 37.4 | Very low | 110 Ų | 110 | 121.3 Ų | 121.3 | 48% | 0.478 | 71% | 0.706 | S | S | . | * | | | trans | 75.5 | 147.8 | -170.4 | -84.6 | -152.9 | -135.1 | 111.2 | 0 | 118.3 | R1515 D1517 | K382-R1515 PolarHBondContact NZ-O 3.35Å; K382-D1517 HydrophobicContact CB-CB 3.69Å; K382-D1517 VanDerWaalsContact CB-OD1 3.24Å; K382-D1517 WeakPolarHBondContact CB-OD1 3.34Å; K382-D1517 HydrophobicContact CD-CB 4.33Å; K382-D1517 WeakPolarHBondContact CD-OD1 3.36Å; K382-D1517 VanDerWaalsContact CE-OD1 3.3Å; K382-D1517 WeakPolarHBondContact CE-OD1 3.21Å; K382-D1517 HydrophobicContact CG-CB 3.69Å; K382-D1517 WeakPolarHBondContact CG-OD1 3.47Å; K382-D1517 IonicContact NZ-OD1 3.94Å; K382-D1517 PolarHBondContact NZ-OD1 3.34Å |
| 383 | G | 39.1 | Very low | 37.8 | Very low | 63 Ų | 63 | 119.6 Ų | 119.6 | 65% | 0.649 | 71% | 0.707 | S | S | * | * | | | cis | 156.6 | 152.2 | -13.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 384 | E | 34.9 | Very low | 38.2 | Very low | 155 Ų | 155 | 123.1 Ų | 123.1 | 72% | 0.724 | 71% | 0.706 | S | S | * | * | | | trans | 57.5 | 145.9 | 160.6 | -62 | -170.8 | -131.4 | 0 | 0 | 120 | | |
| 385 | K | 40.7 | Very low | 38.9 | Very low | 190 Ų | 190 | 120.9 Ų | 120.9 | 83% | 0.826 | 71% | 0.707 | S | S | * | * | | | cis | -165.7 | 155.3 | 7.3 | -132.6 | -177.8 | -176.8 | 108.2 | 0 | 111.5 | | |
| 386 | G | 38.4 | Very low | 39.4 | Very low | 69 Ų | 69 | 122 Ų | 122 | 71% | 0.711 | 71% | 0.711 | S | S | * | * | | | trans | 162.8 | 138.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 387 | L | 34.1 | Very low | 39.9 | Very low | 174 Ų | 174 | 126 Ų | 126 | 91% | 0.911 | 72% | 0.72 | S | S | * | * | | | trans | -158.1 | 174.5 | -174.2 | -69.6 | 172.8 | 0 | 0 | 0 | 110.2 | | |
| 388 | P | 47.5 | Very low | 40.6 | Very low | 111 Ų | 111 | 123.1 Ų | 123.1 | 72% | 0.721 | 72% | 0.715 | S | S | * | * | | | | -140.7 | -178.2 | -56.6 | 42.9 | -26.4 | 0 | 0 | 0 | 114.9 | | |
| 389 | G | 34.1 | Very low | 40.7 | Very low | 61 Ų | 61 | 124.3 Ų | 124.3 | 63% | 0.629 | 72% | 0.721 | S | S | * | * | | | trans | 94.8 | 152.4 | 151.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 390 | H | 35.3 | Very low | 41.5 | Very low | 184 Ų | 184 | 124 Ų | 124 | 85% | 0.852 | 73% | 0.732 | S | S | * | * | | | cis | -151.9 | 161.9 | -13.6 | -85.8 | -72 | 0 | 0 | 0 | 110.3 | | |
| 391 | P | 54.1 | Low | 41.6 | Very low | 128 Ų | 128 | 122.2 Ų | 122.2 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | | | trans | -119 | -178.5 | -162.8 | 43.7 | -33.3 | 0 | 0 | 0 | 116.4 | | |
| 392 | G | 37.3 | Very low | 41.1 | Very low | 59 Ų | 59 | 128.4 Ų | 128.4 | 61% | 0.608 | 78% | 0.775 | S | S | * | * | | | trans | 159.9 | 147.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 393 | D | 38 | Very low | 42.1 | Very low | 174 Ų | 174 | 129 Ų | 129 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | | | cis | -150.8 | 166 | -13.2 | -84.8 | -47.4 | 0 | 0 | 0 | 109.6 | | |
| 394 | K | 40.2 | Very low | 42.4 | Very low | 166 Ų | 166 | 129.5 Ų | 129.5 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | | | trans | -116.9 | 126.3 | -174.4 | -154.5 | 167.9 | -171.1 | 171.4 | 0 | 111.5 | D363 | D363-K394 IonicContact OD2-NZ 2.63Å; D363-K394 PolarHBondContact OD2-NZ 2.96Å |
| 395 | G | 47.6 | Very low | 42.7 | Very low | 77 Ų | 77 | 129.1 Ų | 129.1 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | -66.6 | 150.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 396 | T | 39.7 | Very low | 43.4 | Very low | 147 Ų | 147 | 129 Ų | 129 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | | | trans | -77.1 | 150.1 | -169 | 49.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 397 | Q | 47.8 | Very low | 43.7 | Very low | 194 Ų | 194 | 128.5 Ų | 128.5 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | | | trans | -116.1 | 141.4 | 162.5 | -177.5 | 174.9 | -33.3 | 0 | 0 | 109.2 | | |
| 398 | G | 45.2 | Very low | 43.8 | Very low | 65 Ų | 65 | 129.2 Ų | 129.2 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -73 | 168.4 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 399 | E | 35.4 | Very low | 44 | Very low | 193 Ų | 193 | 134 Ų | 134 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 131.3 | -169.8 | -58.4 | -175.3 | 137.7 | 0 | 0 | 114.5 | | |
| 400 | P | 54.5 | Low | 44.5 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 132.9 | 166.2 | -14.3 | 30.7 | 0 | 0 | 0 | 112.1 | | |
| 401 | G | 41 | Very low | 44.7 | Very low | 73 Ų | 73 | 132 Ų | 132 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 154.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 402 | L | 42.2 | Very low | 44.7 | Very low | 175 Ų | 175 | 131.7 Ų | 131.7 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 130 | -175.2 | -64.7 | 170.7 | 0 | 0 | 0 | 113.8 | | |
| 403 | P | 57.6 | Low | 45 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 149 | 162.1 | -11.9 | 28.9 | 0 | 0 | 0 | 111.4 | | |
| 404 | G | 44.1 | Very low | 45.1 | Very low | 74 Ų | 74 | 132 Ų | 132 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | | | trans | -109.9 | 165.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 405 | D | 41 | Very low | 45.3 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | | | trans | -84.6 | 159.7 | -158.3 | -57.9 | -89 | 0 | 0 | 0 | 116.7 | | |
| 406 | Q | 55.5 | Low | 44.9 | Very low | 188 Ų | 188 | 133.7 Ų | 133.7 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | | | trans | -140.1 | 123.6 | 172.5 | -170.3 | -178.3 | -36.3 | 0 | 0 | 110.9 | | |
| 407 | G | 45.1 | Very low | 44.7 | Very low | 57 Ų | 57 | 134.3 Ų | 134.3 | 59% | 0.588 | 81% | 0.814 | S | S | * | * | | | trans | -74.4 | 176.4 | -161.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 408 | E | 37.4 | Very low | 44.4 | Very low | 189 Ų | 189 | 133.4 Ų | 133.4 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | | | trans | -67.6 | 161.9 | -167.2 | -63.7 | -155.5 | 125.7 | 0 | 0 | 116.5 | | |
| 409 | K | 51.4 | Low | 43.8 | Very low | 211 Ų | 211 | 134.2 Ų | 134.2 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | | | trans | -139.3 | 111.4 | 169.6 | -151.1 | 166 | -168.5 | 165.5 | 0 | 110.9 | | |
| 410 | G | 43.4 | Very low | 44 | Very low | 67 Ų | 67 | 131 Ų | 131 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 163.3 | -158.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 411 | V | 40.1 | Very low | 43.4 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 124.9 | -165.6 | -166.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 412 | P | 53.5 | Low | 42.9 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 123.2 | 161.1 | -10.9 | 28.9 | 0 | 0 | 0 | 110.4 | | |
| 413 | G | 44.7 | Very low | 42.6 | Very low | 72 Ų | 72 | 131.5 Ų | 131.5 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 169 | -163.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 414 | D | 39.5 | Very low | 41.5 | Very low | 167 Ų | 167 | 135 Ų | 135 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 118.7 | -170.1 | -67.3 | -68.7 | 0 | 0 | 0 | 116.5 | | |
| 415 | E | 44.7 | Very low | 41.8 | Very low | 204 Ų | 204 | 134.7 Ų | 134.7 | 95% | 0.953 | 80% | 0.8 | S | S | * | * | | | trans | -144 | 132.5 | 145.5 | -76.1 | -162.6 | 142.2 | 0 | 0 | 108.5 | | |
| 416 | G | 38.9 | Very low | 42 | Very low | 75 Ų | 75 | 134.8 Ų | 134.8 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | cis | -175.2 | 164.5 | -4.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 417 | L | 36.1 | Very low | 41.3 | Very low | 160 Ų | 160 | 133.9 Ų | 133.9 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | trans | -76.9 | 128.7 | -166.8 | -85.2 | 171.1 | 0 | 0 | 0 | 116.1 | | |
| 418 | K | 41.4 | Very low | 40.5 | Very low | 175 Ų | 175 | 136 Ų | 136 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | | | trans | 69.6 | 111 | 151.2 | -68 | 172.9 | 178.9 | 168.5 | 0 | 119.4 | | |
| 419 | G | 33.1 | Very low | 40.4 | Very low | 82 Ų | 82 | 134.9 Ų | 134.9 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | trans | -123 | 113 | 144.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 420 | V | 38.1 | Very low | 40 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | | | trans | -103.9 | 114.7 | -170.5 | 178.7 | 0 | 0 | 0 | 0 | 113 | | |
| 421 | R | 41.8 | Very low | 39.4 | Very low | 223 Ų | 223 | 130.2 Ų | 130.2 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | | | trans | 73.2 | 131.6 | 151.5 | -163.7 | 179.8 | -160.7 | 153.6 | 9.4 | 120.2 | | |
| 422 | G | 30.5 | Very low | 39.1 | Very low | 77 Ų | 77 | 129.5 Ų | 129.5 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | | | trans | -146.3 | 146.8 | 149.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 423 | S | 36.2 | Very low | 38 | Very low | 87 Ų | 87 | 132.9 Ų | 132.9 | 61% | 0.608 | 79% | 0.785 | S | S | * | * | | | trans | -149.2 | 132.6 | -169.2 | 55.1 | 0 | 0 | 0 | 0 | 116 | | |
| 424 | Q | 35.2 | Very low | 37.7 | Very low | 193 Ų | 193 | 132.8 Ų | 132.8 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | | | trans | 58.7 | 121.3 | 153.8 | -69 | -177.8 | -21.9 | 0 | 0 | 122.4 | | |
| 425 | G | 49.9 | Very low | 37.4 | Very low | 69 Ų | 69 | 130.5 Ų | 130.5 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | | | | 87.1 | 158.8 | 119.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 426 | K | 46.2 | Very low | 37.4 | Very low | 150 Ų | 150 | 128.1 Ų | 128.1 | 65% | 0.652 | 78% | 0.778 | S | S | * | * | | | trans | 174.6 | 122.5 | 138.8 | -99.1 | 162.8 | -165.3 | -154.5 | 0 | 116.8 | E429 | K426-E429 WeakPolarHBondContact CD-O 3.43Å; K426-E429 VanDerWaalsContact CE-O 3.28Å; K426-E429 WeakPolarHBondContact CE-O 3.29Å; K426-E429 PolarHBondContact NZ-O 2.86Å |
| 427 | I | 39.6 | Very low | 36.9 | Very low | 168 Ų | 168 | 127.6 Ų | 127.6 | 86% | 0.862 | 77% | 0.773 | S | S | * | * | S | Bend | | -137.5 | 131.9 | 112.5 | -69.1 | -170.4 | 0 | 0 | 0 | 104.1 | | |
| 428 | C | 28.7 | Very low | 36.6 | Very low | 101 Ų | 101 | 126.5 Ų | 126.5 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | S | Bend | cis | -109 | 174.9 | 12.7 | -80.2 | 0 | 0 | 0 | 0 | 115.4 | | |
| 429 | E | 36.6 | Very low | 36.8 | Very low | 166 Ų | 166 | 128.7 Ų | 128.7 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | 66 | 116.9 | 162.5 | -60.4 | -108.6 | 118.8 | 0 | 0 | 118.3 | K426 | K426-E429 WeakPolarHBondContact CD-O 3.43Å; K426-E429 VanDerWaalsContact CE-O 3.28Å; K426-E429 WeakPolarHBondContact CE-O 3.29Å; K426-E429 PolarHBondContact NZ-O 2.86Å |
| 430 | P | 42 | Very low | 36.7 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | | | trans | -121.3 | 160.4 | -155.7 | 23.4 | 0.9 | 0 | 0 | 0 | 116.5 | | |
| 431 | G | 31.4 | Very low | 36.2 | Very low | 61 Ų | 61 | 133.6 Ų | 133.6 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | | | trans | -128.3 | 147.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 432 | P | 32.3 | Very low | 36 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | | | trans | -102 | 147.7 | -157.1 | 37.3 | -35.6 | 0 | 0 | 0 | 116.8 | | |
| 433 | Q | 32 | Very low | 36.3 | Very low | 192 Ų | 192 | 132.5 Ų | 132.5 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | | | trans | 67.8 | 119.8 | 135.9 | -172.8 | 175.4 | 10.9 | 0 | 0 | 120.5 | | |
| 434 | G | 37.9 | Very low | 36 | Very low | 71 Ų | 71 | 135.9 Ų | 135.9 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | | | trans | 165.5 | 65.7 | 156.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 435 | P | 32.5 | Very low | 36.3 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | trans | -82.4 | 130.7 | 172.1 | 32.9 | -32.7 | 0 | 0 | 0 | 113.4 | | |
| 436 | V | 44.7 | Very low | 35.5 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 93% | 0.933 | 79% | 0.788 | S | S | * | * | | | trans | 39.6 | 117.9 | 157.1 | -171.5 | 0 | 0 | 0 | 0 | 120 | | |
| 437 | G | 29.4 | Very low | 35.2 | Very low | 64 Ų | 64 | 132.4 Ų | 132.4 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | | | trans | 178.5 | 141.4 | 148.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 438 | V | 28.8 | Very low | 34.9 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | | | cis | -156.3 | 168.7 | -6.5 | -85.8 | 0 | 0 | 0 | 0 | 108.6 | G440 | V438-G440 PolarHBondContact O-N 3.15Š|
| 439 | K | 46.3 | Very low | 35.1 | Very low | 220 Ų | 220 | 131.9 Ų | 131.9 | 96% | 0.957 | 79% | 0.793 | S | S | * | * | | | trans | -67 | 112.8 | 169.3 | -174.9 | 173.2 | -175.1 | 170.3 | 0 | 110.9 | | |
| 440 | G | 30.5 | Very low | 34.9 | Very low | 58 Ų | 58 | 133.2 Ų | 133.2 | 60% | 0.598 | 80% | 0.799 | S | S | * | * | | | trans | 158.3 | 146 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V438 | V438-G440 PolarHBondContact O-N 3.15Š|
| 441 | W | 27.2 | Very low | 34.7 | Very low | 255 Ų | 255 | 132.5 Ų | 132.5 | 97% | 0.966 | 80% | 0.795 | S | S | * | * | | | cis | -161.2 | 179.5 | -1.9 | -126.4 | -4.1 | 0 | 0 | 0 | 110.6 | G443 | W441-G443 PolarHBondContact O-N 2.53Š|
| 442 | Y | 39.4 | Very low | 35.6 | Very low | 196 Ų | 196 | 133.4 Ų | 133.4 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | | | trans | -50.4 | 122.7 | 169.2 | -91.1 | -85.1 | 0 | 0 | 0 | 112.9 | K444 | Y442-K444 HydrophobicContact CD1-CD 4.22Å; Y442-K444 VanDerWaalsContact CD1-CE 3.44Å; Y442-K444 HydrophobicContact CD1-CG 3.69Å; Y442-K444 HydrophobicContact CE1-CG 4.42Å; Y442-K444 HydrophobicContact CG-CG 4.45Å |
| 443 | G | 35.7 | Very low | 35.9 | Very low | 81 Ų | 81 | 133.3 Ų | 133.3 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | | | trans | -115 | 96.8 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | W441 | W441-G443 PolarHBondContact O-N 2.53Š|
| 444 | K | 30 | Very low | 36 | Very low | 157 Ų | 157 | 131 Ų | 131 | 68% | 0.683 | 79% | 0.794 | S | S | * | * | | | trans | -84.5 | 143.5 | -168.8 | -67.9 | -174.7 | 177.5 | -172.8 | 0 | 113.9 | Y442 | Y442-K444 HydrophobicContact CD1-CD 4.22Å; Y442-K444 VanDerWaalsContact CD1-CE 3.44Å; Y442-K444 HydrophobicContact CD1-CG 3.69Å; Y442-K444 HydrophobicContact CE1-CG 4.42Å; Y442-K444 HydrophobicContact CG-CG 4.45Å |
| 445 | N | 40.4 | Very low | 36.2 | Very low | 166 Ų | 166 | 131.6 Ų | 131.6 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | | | trans | 20 | 126.2 | 146.1 | -53.7 | 25.3 | 0 | 0 | 0 | 119.6 | | |
| 446 | G | 34.2 | Very low | 36.5 | Very low | 83 Ų | 83 | 133.1 Ų | 133.1 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | | | trans | 167.3 | 131.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 447 | A | 38.8 | Very low | 36.1 | Very low | 90 Ų | 90 | 131.4 Ų | 131.4 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | | | cis | -112.9 | 150.2 | 4.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 448 | Q | 34.2 | Very low | 36.2 | Very low | 196 Ų | 196 | 131.7 Ų | 131.7 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | | | | 61.2 | 113.3 | 53.2 | -177.6 | -172.3 | -2.8 | 0 | 0 | 112.2 | | |
| 449 | G | 33.6 | Very low | 37 | Very low | 63 Ų | 63 | 134.2 Ų | 134.2 | 65% | 0.649 | 80% | 0.8 | S | S | * | * | | | cis | 159.3 | -161.4 | -2.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 450 | Q | 32.3 | Very low | 36.4 | Very low | 193 Ų | 193 | 129.8 Ų | 129.8 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | | | trans | 80.8 | 151.5 | -174.4 | -56.1 | -172.8 | -11.1 | 0 | 0 | 115.4 | | |
| 451 | P | 37.3 | Very low | 36.5 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 69% | 0.688 | 80% | 0.8 | S | S | * | * | | | cis | -129.7 | 167.1 | -39.7 | 36.8 | -23.3 | 0 | 0 | 0 | 112.1 | | |
| 452 | G | 49.6 | Very low | 37.2 | Very low | 79 Ų | 79 | 127.9 Ų | 127.9 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | | | trans | -75.7 | 143.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 453 | V | 39.6 | Very low | 36.9 | Very low | 119 Ų | 119 | 130 Ų | 130 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | | | trans | -136.1 | 121.5 | 166.7 | -106.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 454 | D | 33.3 | Very low | 37 | Very low | 144 Ų | 144 | 129 Ų | 129 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | | | trans | 30.3 | 128.6 | 142.8 | -48.8 | -25.2 | 0 | 0 | 0 | 119.3 | D456 | D454-D456 PolarHBondContact O-N 3.22Š|
| 455 | G | 43.5 | Very low | 37.3 | Very low | 84 Ų | 84 | 129.7 Ų | 129.7 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | | | trans | -79.1 | 114.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 456 | D | 38.5 | Very low | 37.3 | Very low | 151 Ų | 151 | 127.9 Ų | 127.9 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 160.8 | 178.9 | -89.9 | -39.1 | 0 | 0 | 0 | 113.3 | D454 | D454-D456 PolarHBondContact O-N 3.22Š|
| 457 | P | 36.4 | Very low | 37.3 | Very low | 118 Ų | 118 | 127 Ų | 127 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 172.4 | -148.1 | -15.2 | 33.2 | 0 | 0 | 0 | 116.8 | | |
| 458 | G | 31.4 | Very low | 37.5 | Very low | 70 Ų | 70 | 131 Ų | 131 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 162.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 459 | Q | 44.5 | Very low | 37.5 | Very low | 190 Ų | 190 | 129.5 Ų | 129.5 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -57 | 135.9 | -170.3 | -62.7 | 174.8 | -8 | 0 | 0 | 115.2 | | |
| 460 | P | 34.1 | Very low | 37.4 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 139.8 | 141.7 | -10.2 | 28.5 | 0 | 0 | 0 | 110 | | |
| 461 | G | 32.5 | Very low | 37.4 | Very low | 70 Ų | 70 | 129.9 Ų | 129.9 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | | | trans | -78.9 | -173 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 462 | Q | 41.9 | Very low | 37.2 | Very low | 203 Ų | 203 | 128.2 Ų | 128.2 | 95% | 0.949 | 80% | 0.801 | S | S | * | * | | | trans | -51.2 | 144.7 | -178.8 | -63.3 | 173.1 | -5.9 | 0 | 0 | 113.6 | | |
| 463 | R | 33.7 | Very low | 36.5 | Very low | 242 Ų | 242 | 131.8 Ų | 131.8 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | | | trans | -115.7 | 122 | 151.6 | -174 | 177.3 | -63 | -153.2 | -0.4 | 107.2 | | |
| 464 | G | 37.6 | Very low | 36.2 | Very low | 58 Ų | 58 | 132.8 Ų | 132.8 | 60% | 0.598 | 80% | 0.797 | S | S | * | * | | | trans | -68.5 | 176.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 465 | L | 35.4 | Very low | 36.4 | Very low | 173 Ų | 173 | 129 Ų | 129 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -53.8 | 135.9 | 163.9 | -69.1 | 168.4 | 0 | 0 | 0 | 109 | G467 | L465-G467 PolarHBondContact O-N 3.46Š|
| 466 | P | 40.5 | Very low | 36 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 134.1 | 176.9 | -24.5 | 34.5 | 0 | 0 | 0 | 111.4 | | |
| 467 | G | 35.7 | Very low | 36 | Very low | 66 Ų | 66 | 133.9 Ų | 133.9 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 160.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112 | L465 D469 | L465-G467 PolarHBondContact O-N 3.46Å; G467-D469 PolarHBondContact O-N 2.85Å |
| 468 | D | 43 | Very low | 36 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | | | trans | -73.1 | 105.8 | 171.9 | -79.1 | -55.9 | 0 | 0 | 0 | 111.5 | | |
| 469 | D | 32.6 | Very low | 36.1 | Very low | 165 Ų | 165 | 136.9 Ų | 136.9 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | | | trans | -138.9 | 148.7 | 160.6 | -80.9 | -53.9 | 0 | 0 | 0 | 107.1 | G467 | G467-D469 PolarHBondContact O-N 2.85Š|
| 470 | G | 33 | Very low | 35.5 | Very low | 64 Ų | 64 | 134.1 Ų | 134.1 | 66% | 0.66 | 79% | 0.79 | S | S | * | * | | | cis | 167.2 | 111.8 | 0.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 471 | F | 30.9 | Very low | 35.7 | Very low | 200 Ų | 200 | 131.6 Ų | 131.6 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | | | trans | 19.6 | 116 | 162.7 | -70.3 | -92.3 | 0 | 0 | 0 | 122.3 | | |
| 472 | G | 33 | Very low | 35.9 | Very low | 70 Ų | 70 | 135 Ų | 135 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | | | | 82.8 | 178.7 | 122.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 473 | H | 34.4 | Very low | 35.5 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | | | cis | -167.4 | 149.7 | -17.5 | -116.3 | -64.9 | 0 | 0 | 0 | 111.5 | | |
| 474 | I | 34.7 | Very low | 35.7 | Very low | 141 Ų | 141 | 125.9 Ų | 125.9 | 72% | 0.723 | 78% | 0.779 | S | S | * | * | | | trans | 70.9 | 147.1 | 152.9 | -62.9 | 163.2 | 0 | 0 | 0 | 116.8 | | |
| 475 | G | 36.2 | Very low | 35.8 | Very low | 64 Ų | 64 | 131.5 Ų | 131.5 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | | | cis | 170.4 | -151.8 | -7.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 476 | E | 35.5 | Very low | 36.1 | Very low | 181 Ų | 181 | 134 Ų | 134 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | | | trans | 74.7 | 140.8 | -179.3 | -56.5 | -145.9 | 125.2 | 0 | 0 | 119.9 | | |
| 477 | I | 38.9 | Very low | 36 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | | | cis | -166.8 | 144 | -41.3 | -114.4 | 161.9 | 0 | 0 | 0 | 111.5 | | |
| 478 | G | 36.6 | Very low | 36.5 | Very low | 71 Ų | 71 | 135.3 Ų | 135.3 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | | | trans | 70 | 163.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 479 | E | 33.1 | Very low | 36.5 | Very low | 181 Ų | 181 | 135.2 Ų | 135.2 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | | | cis | -171.5 | 158.7 | -9.7 | -107.2 | -148.3 | -74.6 | 0 | 0 | 107.3 | | |
| 480 | V | 33.1 | Very low | 37.1 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | | | cis | -168.3 | 154.5 | -27.3 | 109.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 481 | G | 37.8 | Very low | 37.3 | Very low | 73 Ų | 73 | 136.8 Ų | 136.8 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | trans | 177.5 | 132.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 482 | V | 37.2 | Very low | 38.2 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | | | trans | -83.1 | 168.4 | -177.8 | -60.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 483 | E | 33.4 | Very low | 38.9 | Very low | 186 Ų | 186 | 131.4 Ų | 131.4 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | | | cis | -160.2 | 146.1 | 17 | -158 | 170.6 | -145.8 | 0 | 0 | 112.9 | | |
| 484 | G | 36.2 | Very low | 39.2 | Very low | 67 Ų | 67 | 133.7 Ų | 133.7 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | | | trans | 75 | 161.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 485 | L | 40.1 | Very low | 39.7 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | | | cis | -161 | 159.3 | -12.7 | -79.2 | -177.9 | 0 | 0 | 0 | 105.9 | | |
| 486 | R | 41.8 | Very low | 40.1 | Very low | 227 Ų | 227 | 135.7 Ų | 135.7 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | | | cis | -156.9 | 152.6 | -11.2 | 159.9 | -176.9 | 168.4 | -143.8 | -7.3 | 106.5 | | |
| 487 | G | 38.3 | Very low | 40.6 | Very low | 61 Ų | 61 | 135 Ų | 135 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | | | trans | -90.1 | 158.9 | -179 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 488 | I | 47 | Very low | 41.4 | Very low | 159 Ų | 159 | 132.8 Ų | 132.8 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | | | trans | -124.2 | 115.2 | 157.4 | 52.3 | -179.9 | 0 | 0 | 0 | 105.2 | | |
| 489 | K | 42.9 | Very low | 41.6 | Very low | 170 Ų | 170 | 132.7 Ų | 132.7 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | | | | 55.5 | 110.7 | 80.9 | -153.4 | -144.9 | 168.3 | -164.9 | 0 | 112.4 | S492 | K489-S492 WeakPolarHBondContact CE-OG 3.38Å; K489-S492 PolarHBondContact NZ-OG 2.84Å |
| 490 | G | 44.4 | Very low | 41.9 | Very low | 58 Ų | 58 | 133.6 Ų | 133.6 | 60% | 0.598 | 79% | 0.788 | S | S | * | * | | | trans | -71.3 | 159.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 491 | E | 38.8 | Very low | 42.2 | Very low | 205 Ų | 205 | 136.3 Ų | 136.3 | 96% | 0.958 | 79% | 0.789 | S | S | * | * | | | trans | -68.9 | 154.3 | 176.6 | -68.4 | 177.5 | 145.4 | 0 | 0 | 110.3 | | |
| 492 | S | 48.3 | Very low | 42 | Very low | 80 Ų | 80 | 136.4 Ų | 136.4 | 56% | 0.559 | 79% | 0.791 | S | S | * | * | | | trans | -113.7 | 149.2 | -169.8 | -54.7 | 0 | 0 | 0 | 0 | 108.4 | K489 | K489-S492 WeakPolarHBondContact CE-OG 3.38Å; K489-S492 PolarHBondContact NZ-OG 2.84Å |
| 493 | G | 47.5 | Very low | 42.2 | Very low | 76 Ų | 76 | 139.2 Ų | 139.2 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 153.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 494 | E | 41.7 | Very low | 42.3 | Very low | 203 Ų | 203 | 134.2 Ų | 134.2 | 95% | 0.949 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 140 | -172.4 | -62.8 | -174.9 | 135.7 | 0 | 0 | 111.9 | | |
| 495 | E | 45.4 | Very low | 42.3 | Very low | 180 Ų | 180 | 134.4 Ų | 134.4 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 117.5 | -176.2 | -172.6 | 170.5 | 174 | 0 | 0 | 108.7 | | |
| 496 | G | 44.8 | Very low | 42.3 | Very low | 67 Ų | 67 | 134 Ų | 134 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -63 | 142.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 497 | D | 45.2 | Very low | 42.1 | Very low | 165 Ų | 165 | 127.7 Ų | 127.7 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -53 | 125.8 | -170 | -79.1 | -57 | 0 | 0 | 0 | 113.8 | G499 | D497-G499 PolarHBondContact O-N 3.32Š|
| 498 | P | 56.8 | Low | 42.4 | Very low | 110 Ų | 110 | 132 Ų | 132 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | | | trans | -66.4 | 115.9 | 179.8 | -23.6 | 34.4 | 0 | 0 | 0 | 113.2 | E500 | P498-E500 PolarHBondContact O-N 3.09Š|
| 499 | G | 40.9 | Very low | 42 | Very low | 70 Ų | 70 | 131.7 Ų | 131.7 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | | | trans | -58.9 | 123.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D497 | D497-G499 PolarHBondContact O-N 3.32Š|
| 500 | E | 39 | Very low | 41.9 | Very low | 199 Ų | 199 | 126.8 Ų | 126.8 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | | | trans | -65.6 | 144.7 | -178.6 | -70.7 | -152.4 | 126.7 | 0 | 0 | 113.2 | P498 | P498-E500 PolarHBondContact O-N 3.09Š|
| 501 | K | 39.1 | Very low | 41.8 | Very low | 189 Ų | 189 | 130.5 Ų | 130.5 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | | | trans | -106.3 | 109.8 | -179.5 | -70.5 | 172.8 | -178.2 | 165.7 | 0 | 110.6 | | |
| 502 | G | 33.5 | Very low | 42.3 | Very low | 76 Ų | 76 | 128 Ų | 128 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | | | trans | -67.3 | 144.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 503 | F | 40.5 | Very low | 41.8 | Very low | 201 Ų | 201 | 127.2 Ų | 127.2 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | | | trans | -143.7 | 122.2 | 163.7 | -87 | -82 | 0 | 0 | 0 | 109.7 | | |
| 504 | G | 37 | Very low | 41.5 | Very low | 81 Ų | 81 | 128.8 Ų | 128.8 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | | | trans | -86.6 | 175.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 505 | G | 35.5 | Very low | 41.7 | Very low | 71 Ų | 71 | 130 Ų | 130 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | | | cis | -179.4 | -153.8 | 3.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 506 | D | 39.9 | Very low | 41.7 | Very low | 165 Ų | 165 | 124.4 Ų | 124.4 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | | | trans | 67.5 | 137.4 | -174.6 | -71.5 | -30.6 | 0 | 0 | 0 | 116.1 | | |
| 507 | S | 38.5 | Very low | 41.7 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 67% | 0.671 | 80% | 0.799 | S | S | * | * | | | cis | -142.9 | 153.7 | 27.2 | -49.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 508 | N | 42.8 | Very low | 42.1 | Very low | 150 Ų | 150 | 127.2 Ų | 127.2 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | | | trans | 86.7 | 90.3 | 160.9 | -50.4 | -43.1 | 0 | 0 | 0 | 119.7 | | |
| 509 | V | 40.3 | Very low | 41.8 | Very low | 154 Ų | 154 | 125.2 Ų | 125.2 | 93% | 0.933 | 79% | 0.792 | S | S | * | * | | | | 13.9 | 135.2 | 127.8 | -169.3 | 0 | 0 | 0 | 0 | 117.3 | | |
| 510 | G | 39.7 | Very low | 42.1 | Very low | 66 Ų | 66 | 129.7 Ų | 129.7 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | | | cis | 161.7 | 168.5 | 8.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 511 | P | 43.2 | Very low | 42.6 | Very low | 136 Ų | 136 | 128.3 Ų | 128.3 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | cis | -130.8 | -157 | 40.3 | 42.1 | -25.1 | 0 | 0 | 0 | 114.1 | | |
| 512 | V | 49.7 | Very low | 43.1 | Very low | 153 Ų | 153 | 122.8 Ų | 122.8 | 93% | 0.927 | 80% | 0.795 | S | S | * | * | | | trans | -130.7 | 141.2 | -168.7 | 173.4 | 0 | 0 | 0 | 0 | 113 | | |
| 513 | G | 36.7 | Very low | 43.6 | Very low | 63 Ų | 63 | 124.8 Ų | 124.8 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | | | trans | 156.4 | 160.1 | 159.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 514 | P | 40.9 | Very low | 44 | Very low | 110 Ų | 110 | 123.4 Ų | 123.4 | 71% | 0.714 | 80% | 0.799 | S | S | * | * | | | cis | -100.3 | -164.8 | -7.5 | 39.6 | -32.3 | 0 | 0 | 0 | 112.7 | | |
| 515 | R | 46.8 | Very low | 44.5 | Very low | 228 Ų | 228 | 122.9 Ų | 122.9 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 133.4 | 179.6 | 165.1 | 180 | 176.3 | -173.6 | 0.3 | 110.1 | | |
| 516 | G | 45.9 | Very low | 44.8 | Very low | 63 Ų | 63 | 127.5 Ų | 127.5 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 158.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 517 | E | 43.2 | Very low | 45.5 | Very low | 178 Ų | 178 | 125.8 Ų | 125.8 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 155.1 | -177 | -62.1 | -179 | 131.8 | 0 | 0 | 111.9 | | |
| 518 | P | 54.8 | Low | 46 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 136.6 | 166.3 | -15.7 | 30.7 | 0 | 0 | 0 | 109.5 | | |
| 519 | G | 49.5 | Very low | 46 | Very low | 68 Ų | 68 | 127.3 Ų | 127.3 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 156.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 520 | D | 48.6 | Very low | 46.2 | Very low | 164 Ų | 164 | 129 Ų | 129 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 149.8 | 179.2 | -52.1 | -77.2 | 0 | 0 | 0 | 112.6 | G522 | D520-G522 PolarHBondContact O-N 2.95Š|
| 521 | D | 48.3 | Very low | 46.4 | Very low | 169 Ų | 169 | 129.1 Ų | 129.1 | 90% | 0.904 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 118.3 | 175.1 | -77.3 | -45.1 | 0 | 0 | 0 | 109.9 | | |
| 522 | G | 49 | Very low | 46.1 | Very low | 74 Ų | 74 | 132 Ų | 132 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 141.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | D520 | D520-G522 PolarHBondContact O-N 2.95Š|
| 523 | S | 45 | Very low | 46.3 | Very low | 117 Ų | 117 | 131 Ų | 131 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 145 | 179.5 | 44.8 | 0 | 0 | 0 | 0 | 113.2 | G525 | S523-G525 PolarHBondContact O-N 2.82Š|
| 524 | D | 48.6 | Very low | 46.9 | Very low | 172 Ų | 172 | 131 Ų | 131 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 118.9 | 173.3 | -82.3 | -42.7 | 0 | 0 | 0 | 110.5 | | |
| 525 | G | 46.9 | Very low | 47.3 | Very low | 70 Ų | 70 | 131.7 Ų | 131.7 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 143.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S523 | S523-G525 PolarHBondContact O-N 2.82Š|
| 526 | E | 41.9 | Very low | 47.5 | Very low | 169 Ų | 169 | 127.3 Ų | 127.3 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 137.1 | 178.7 | -68 | -160.4 | 134.3 | 0 | 0 | 113.2 | G528 | E526-G528 PolarHBondContact O-N 3.13Š|
| 527 | P | 55.8 | Low | 47.6 | Very low | 129 Ų | 129 | 127.3 Ų | 127.3 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | | | trans | -63.8 | 114.9 | 176.7 | -25.1 | 35.6 | 0 | 0 | 0 | 113.9 | | |
| 528 | G | 48.5 | Very low | 47.5 | Very low | 64 Ų | 64 | 125.5 Ų | 125.5 | 66% | 0.66 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -62 | 135.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | E526 | E526-G528 PolarHBondContact O-N 3.13Š|
| 529 | K | 43.4 | Very low | 46.6 | Very low | 213 Ų | 213 | 130.2 Ų | 130.2 | 93% | 0.926 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 134.7 | 177.4 | -64.9 | 174.6 | -177.4 | 170.8 | 0 | 111.2 | | |
| 530 | H | 42.8 | Very low | 46 | Very low | 190 Ų | 190 | 130.4 Ų | 130.4 | 88% | 0.88 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 130.5 | -177.8 | -67.6 | 1.9 | 0 | 0 | 0 | 112.4 | | |
| 531 | G | 44.5 | Very low | 45.4 | Very low | 69 Ų | 69 | 131.7 Ų | 131.7 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 156.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 532 | E | 37.9 | Very low | 45.2 | Very low | 195 Ų | 195 | 128.6 Ų | 128.6 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 135.9 | -179.4 | -63.7 | -166.1 | 129.8 | 0 | 0 | 112.9 | G534 | E532-G534 PolarHBondContact O-N 3.37Š|
| 533 | P | 53.3 | Low | 44.6 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | | | trans | -66.8 | 112.2 | 177.9 | -23.5 | 34.9 | 0 | 0 | 0 | 113.8 | | |
| 534 | G | 50.2 | Low | 44.3 | Very low | 64 Ų | 64 | 132.2 Ų | 132.2 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 147.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E532 | E532-G534 PolarHBondContact O-N 3.37Š|
| 535 | P | 47.6 | Very low | 44.1 | Very low | 125 Ų | 125 | 130.5 Ų | 130.5 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 134.3 | -174.9 | 26.5 | -34.4 | 0 | 0 | 0 | 113.1 | G537 | P535-G537 PolarHBondContact O-N 3.2Š|
| 536 | P | 52.8 | Low | 43.5 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 132 | -178.4 | -26.7 | 35.5 | 0 | 0 | 0 | 115.1 | | |
| 537 | G | 47.1 | Very low | 43.7 | Very low | 63 Ų | 63 | 129.2 Ų | 129.2 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -88 | 171.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | P535 | P535-G537 PolarHBondContact O-N 3.2Š|
| 538 | P | 40.6 | Very low | 43 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 90% | 0.903 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 151.6 | 178.4 | 32.1 | -35.1 | 0 | 0 | 0 | 113.6 | | |
| 539 | K | 35.7 | Very low | 42.5 | Very low | 213 Ų | 213 | 131.8 Ų | 131.8 | 93% | 0.926 | 79% | 0.79 | S | S | * | * | | | trans | -106.5 | 153.1 | -174.8 | -87.1 | -176.9 | 171.8 | 177.8 | 0 | 114.7 | | |
| 540 | G | 38.2 | Very low | 42.4 | Very low | 71 Ų | 71 | 130.6 Ų | 130.6 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | | | trans | 107.4 | 149 | 154 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 541 | E | 36 | Very low | 42.3 | Very low | 191 Ų | 191 | 128.2 Ų | 128.2 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | | | cis | -153.3 | 172.6 | -4 | -102.7 | -156.9 | 165.6 | 0 | 0 | 110.7 | | |
| 542 | P | 42.9 | Very low | 41.9 | Very low | 104 Ų | 104 | 128.2 Ų | 128.2 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | | | trans | -111.2 | -138.9 | -148.8 | 44.5 | -38.6 | 0 | 0 | 0 | 115.5 | | |
| 543 | L | 37.3 | Very low | 41.9 | Very low | 153 Ų | 153 | 127.2 Ų | 127.2 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | | | trans | 93.7 | 141 | 176 | -50.2 | 174.8 | 0 | 0 | 0 | 114.8 | | |
| 544 | T | 39.2 | Very low | 41.1 | Very low | 114 Ų | 114 | 125.9 Ų | 125.9 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | | | cis | -166.8 | 139.4 | -0.8 | 18.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 545 | V | 43.7 | Very low | 40.3 | Very low | 137 Ų | 137 | 126.1 Ų | 126.1 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | | | trans | 79.1 | 136.1 | 132.9 | 171.3 | 0 | 0 | 0 | 0 | 122.8 | | |
| 546 | C | 34.3 | Very low | 39.8 | Very low | 104 Ų | 104 | 128 Ų | 128 | 70% | 0.703 | 78% | 0.784 | S | S | * | * | | | trans | -107.1 | 160.5 | 171.8 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 547 | P | 46.3 | Very low | 38.9 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | | | | -152.1 | 128.3 | 129 | 33.8 | -14.4 | 0 | 0 | 0 | 119.2 | | |
| 548 | L | 41.8 | Very low | 38.3 | Very low | 151 Ų | 151 | 131.8 Ų | 131.8 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | | | | 52.2 | 146 | 119.6 | -49.8 | 173.8 | 0 | 0 | 0 | 121 | | |
| 549 | C | 36.2 | Very low | 38.1 | Very low | 97 Ų | 97 | 131.9 Ų | 131.9 | 66% | 0.655 | 77% | 0.771 | S | S | * | * | | | cis | -173.4 | 159.5 | -9.1 | -115.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 550 | K | 42.3 | Very low | 38.2 | Very low | 188 Ų | 188 | 130.2 Ų | 130.2 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | | | trans | 178.2 | 109.8 | 133.5 | -100.7 | 164.6 | 179.2 | -168.4 | 0 | 111.1 | | |
| 551 | D | 39.8 | Very low | 38.2 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | | | | 83.6 | 120.7 | 78 | -64.7 | -0.5 | 0 | 0 | 0 | 111 | | |
| 552 | G | 37 | Very low | 38.8 | Very low | 68 Ų | 68 | 128.7 Ų | 128.7 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | cis | -145.9 | -169.1 | -1.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 553 | D | 36.6 | Very low | 38.8 | Very low | 175 Ų | 175 | 129.9 Ų | 129.9 | 94% | 0.936 | 77% | 0.774 | S | S | * | * | | | cis | -141.8 | 175.8 | 18.8 | -79.2 | -42.3 | 0 | 0 | 0 | 113.7 | | |
| 554 | A | 36.6 | Very low | 38.8 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | | | trans | -101.6 | -178.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 555 | G | 33.8 | Very low | 39 | Very low | 69 Ų | 69 | 129.5 Ų | 129.5 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | cis | -176.8 | -175.2 | 4.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 556 | L | 38 | Very low | 38.6 | Very low | 165 Ų | 165 | 131.2 Ų | 131.2 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | | | cis | -147.5 | 163.9 | 11 | -65.1 | 171.7 | 0 | 0 | 0 | 106.7 | | |
| 557 | R | 32.8 | Very low | 38.9 | Very low | 210 Ų | 210 | 129.5 Ų | 129.5 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | | | cis | 84.9 | 105.5 | 30.6 | -166.8 | 178.2 | -179.1 | 147.8 | 11.3 | 117.8 | E559 | R557-E559 IonicContact CZ-OE1 3.59Å; R557-E559 VanDerWaalsContact CZ-OE1 3.31Å; R557-E559 IonicContact NE-OE1 2.79Å; R557-E559 PolarHBondContact NE-OE1 3.04Å; R557-E559 IonicContact NH2-OE1 2.94Å; R557-E559 PolarHBondContact NH2-OE1 3.07Å |
| 558 | G | 35.7 | Very low | 38.2 | Very low | 69 Ų | 69 | 132.3 Ų | 132.3 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | 86.5 | 169.6 | 140.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 559 | E | 36.7 | Very low | 37.8 | Very low | 140 Ų | 140 | 133.7 Ų | 133.7 | 65% | 0.654 | 79% | 0.788 | S | S | * | * | | | cis | -169.7 | 160.9 | -8.5 | -107 | 156.8 | -141.1 | 0 | 0 | 108.2 | R557 | R557-E559 IonicContact CZ-OE1 3.59Å; R557-E559 VanDerWaalsContact CZ-OE1 3.31Å; R557-E559 IonicContact NE-OE1 2.79Å; R557-E559 PolarHBondContact NE-OE1 3.04Å; R557-E559 IonicContact NH2-OE1 2.94Å; R557-E559 PolarHBondContact NH2-OE1 3.07Å |
| 560 | I | 37.3 | Very low | 38.1 | Very low | 179 Ų | 179 | 132.7 Ų | 132.7 | 92% | 0.918 | 79% | 0.794 | S | S | * | * | | | trans | 92 | 127.7 | 178.1 | -52.8 | 161.9 | 0 | 0 | 0 | 116.5 | | |
| 561 | G | 37.2 | Very low | 37.9 | Very low | 60 Ų | 60 | 126.7 Ų | 126.7 | 62% | 0.619 | 79% | 0.786 | S | S | * | * | | | cis | 155.7 | 128.6 | -9.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 562 | D | 48.6 | Very low | 37.6 | Very low | 170 Ų | 170 | 128.4 Ų | 128.4 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | | | trans | -91.1 | 148.4 | -166.5 | -54.5 | -69 | 0 | 0 | 0 | 117.7 | | |
| 563 | P | 43.3 | Very low | 37.6 | Very low | 129 Ų | 129 | 129 Ų | 129 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | | | trans | -140.3 | 141.9 | 146.6 | 36.4 | -21.6 | 0 | 0 | 0 | 113.2 | | |
| 564 | G | 37.7 | Very low | 37.5 | Very low | 75 Ų | 75 | 129.3 Ų | 129.3 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | cis | 177.2 | 166.7 | -1.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 565 | E | 44.2 | Very low | 38 | Very low | 184 Ų | 184 | 129.8 Ų | 129.8 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -72.2 | 156.1 | -167.8 | -57.6 | 169.5 | 111.6 | 0 | 0 | 115.9 | | |
| 566 | N | 35.2 | Very low | 38.1 | Very low | 172 Ų | 172 | 130 Ų | 130 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | | | trans | 159.7 | 139.2 | 136 | -89.4 | -72.7 | 0 | 0 | 0 | 109.7 | | |
| 567 | G | 39.2 | Very low | 38.1 | Very low | 69 Ų | 69 | 129.5 Ų | 129.5 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | | | cis | -171.7 | -171.3 | 1.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 568 | E | 32.4 | Very low | 38.1 | Very low | 166 Ų | 166 | 130 Ų | 130 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | | | trans | -65.1 | 156.7 | -168.6 | -43.2 | 172 | 112.5 | 0 | 0 | 116.2 | | |
| 569 | K | 32.9 | Very low | 38.2 | Very low | 179 Ų | 179 | 129 Ų | 129 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | | | | 149.7 | 137.8 | 89.7 | -149.3 | 175.5 | -155.7 | 85.5 | 0 | 113.8 | | |
| 570 | G | 42.1 | Very low | 38.3 | Very low | 76 Ų | 76 | 128 Ų | 128 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | | | trans | 159.9 | 68.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 571 | G | 38.8 | Very low | 38.4 | Very low | 63 Ų | 63 | 122.9 Ų | 122.9 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | | | trans | -84 | -178.2 | 157.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 572 | D | 33.7 | Very low | 38.5 | Very low | 175 Ų | 175 | 122.9 Ų | 122.9 | 94% | 0.936 | 76% | 0.762 | S | S | * | * | | | cis | -151.6 | 166.5 | 2.2 | -68.1 | -63.5 | 0 | 0 | 0 | 108.6 | | |
| 573 | G | 36.9 | Very low | 38.1 | Very low | 81 Ų | 81 | 126.9 Ų | 126.9 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | | | trans | -175.2 | 42.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 574 | M | 34.7 | Very low | 37.8 | Very low | 181 Ų | 181 | 127.8 Ų | 127.8 | 89% | 0.892 | 76% | 0.762 | S | S | * | * | | | trans | -83.9 | 168.3 | 164.6 | -65.1 | 179.2 | 79.1 | 0 | 0 | 111.2 | | |
| 575 | P | 46.1 | Very low | 37.9 | Very low | 114 Ų | 114 | 127 Ų | 127 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | | | cis | -128.8 | -162.7 | -40 | 37.7 | -21.1 | 0 | 0 | 0 | 110.5 | | |
| 576 | G | 37.8 | Very low | 37.5 | Very low | 74 Ų | 74 | 127.9 Ų | 127.9 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | | | trans | -173.7 | 100.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 577 | D | 36.6 | Very low | 37.6 | Very low | 153 Ų | 153 | 126.8 Ų | 126.8 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | | | trans | -80.1 | 156.2 | -178.2 | -58.2 | -59.3 | 0 | 0 | 0 | 113.9 | | |
| 578 | R | 32.5 | Very low | 37.3 | Very low | 221 Ų | 221 | 126.2 Ų | 126.2 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | | | trans | 84.9 | 126.9 | 151.8 | -159.1 | -179 | -160.3 | 142.9 | 12.6 | 119.6 | D580 | R578-D580 IonicContact CZ-OD2 3.31Å; R578-D580 IonicContact NE-OD2 3.92Å; R578-D580 PolarHBondContact NE-OD2 2.03Å; R578-D580 IonicContact NH2-OD2 2.91Å |
| 579 | G | 39 | Very low | 37.7 | Very low | 48 Ų | 48 | 127.2 Ų | 127.2 | 50% | 0.495 | 76% | 0.756 | S | S | . | * | | | trans | -168.8 | 97.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | T581 | G579-T581 PolarHBondContact O-N 2.87Š|
| 580 | D | 38.5 | Very low | 37.8 | Very low | 119 Ų | 119 | 126.8 Ų | 126.8 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | trans | -79.3 | 95.2 | -177.3 | -55 | -66.1 | 0 | 0 | 0 | 110.6 | R578 | R578-D580 IonicContact CZ-OD2 3.31Å; R578-D580 IonicContact NE-OD2 3.92Å; R578-D580 PolarHBondContact NE-OD2 2.03Å; R578-D580 IonicContact NH2-OD2 2.91Å |
| 581 | T | 38.8 | Very low | 37.4 | Very low | 71 Ų | 71 | 126.1 Ų | 126.1 | 44% | 0.436 | 75% | 0.753 | S | S | . | * | | | trans | -87.4 | 146.3 | 179.6 | -62.9 | 0 | 0 | 0 | 0 | 113.2 | G579 P1355 E1356 | G579-T581 PolarHBondContact O-N 2.87Å; T581-P1355 VanDerWaalsContact O-CB 3.29Å; T581-P1355 WeakPolarHBondContact O-CB 3.45Å; T581-P1355 WeakPolarHBondContact O-CG 3.34Å; T581-E1356 WeakPolarHBondContact CB-O 3.33Å; T581-E1356 WeakPolarHBondContact CG2-O 3.3Å; T581-E1356 PolarHBondContact OG1-O 2.63Å |
| 582 | G | 40.5 | Very low | 37.7 | Very low | 61 Ų | 61 | 131.6 Ų | 131.6 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | | | trans | -76.1 | 174.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | L584 | G582-L584 PolarHBondContact O-N 2.89Š|
| 583 | R | 38.6 | Very low | 37.8 | Very low | 254 Ų | 254 | 126.5 Ų | 126.5 | 96% | 0.958 | 74% | 0.743 | S | S | * | * | | | trans | -49.9 | 122.2 | 174.3 | -67.4 | 175.7 | 172.1 | -172 | -8.1 | 112.7 | | |
| 584 | L | 37.9 | Very low | 37.6 | Very low | 148 Ų | 148 | 124.7 Ų | 124.7 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | | | trans | -81.5 | 156.9 | 132.8 | -77 | 72.5 | 0 | 0 | 0 | 107 | G582 | G582-L584 PolarHBondContact O-N 2.89Š|
| 585 | G | 39.9 | Very low | 37.7 | Very low | 59 Ų | 59 | 123 Ų | 123 | 61% | 0.608 | 73% | 0.725 | S | S | * | * | | | cis | 150.4 | 118.5 | -1.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | D587 | G585-D587 PolarHBondContact O-N 2.62Š|
| 586 | E | 36.5 | Very low | 36.9 | Very low | 202 Ų | 202 | 124.8 Ų | 124.8 | 94% | 0.944 | 72% | 0.721 | S | S | * | * | | | trans | -77.8 | 77.9 | 172.5 | -71.1 | -179.8 | 127.4 | 0 | 0 | 109.6 | | |
| 587 | D | 36.1 | Very low | 36.7 | Very low | 148 Ų | 148 | 124.7 Ų | 124.7 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | | | trans | -78.4 | 122.9 | 163.3 | -69.6 | -29.3 | 0 | 0 | 0 | 107.9 | G585 | G585-D587 PolarHBondContact O-N 2.62Š|
| 588 | G | 34.3 | Very low | 36.5 | Very low | 58 Ų | 58 | 123.9 Ų | 123.9 | 60% | 0.598 | 71% | 0.712 | S | S | * | * | | | cis | 130.2 | 109.6 | 7.1 | 0 | 0 | 0 | 0 | 0 | 109 | I590 | G588-I590 PolarHBondContact O-N 2.99Š|
| 589 | L | 40.4 | Very low | 36.6 | Very low | 187 Ų | 187 | 122 Ų | 122 | 98% | 0.979 | 71% | 0.71 | S | S | * | * | | | trans | -59.9 | 107.8 | -170.8 | -77.9 | 164.7 | 0 | 0 | 0 | 113.2 | | |
| 590 | I | 34.4 | Very low | 36.3 | Very low | 169 Ų | 169 | 123 Ų | 123 | 87% | 0.867 | 72% | 0.72 | S | S | * | * | | | trans | -135.7 | 128.9 | 162.3 | -53.3 | 178.5 | 0 | 0 | 0 | 107.1 | G588 | G588-I590 PolarHBondContact O-N 2.99Š|
| 591 | G | 33.5 | Very low | 36.4 | Very low | 62 Ų | 62 | 125.3 Ų | 125.3 | 64% | 0.639 | 72% | 0.72 | S | S | * | * | | | cis | 160.4 | 101 | -2.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 592 | L | 45.3 | Very low | 36 | Very low | 179 Ų | 179 | 128.3 Ų | 128.3 | 94% | 0.937 | 73% | 0.731 | S | S | * | * | | | trans | -61.2 | 136.4 | 178.2 | -64.5 | 168.5 | 0 | 0 | 0 | 111.2 | | |
| 593 | P | 35.9 | Very low | 35.8 | Very low | 67 Ų | 67 | 128.1 Ų | 128.1 | 44% | 0.435 | 73% | 0.73 | S | S | . | * | | | | -151.3 | 151.8 | 109.2 | 36.2 | -19.8 | 0 | 0 | 0 | 115.7 | D192 G193 | D192-P593 HydrophobicContact CB-CB 4.23Å; D192-P593 HydrophobicContact CB-CG 4.06Å; G193-P593 VanDerWaalsContact CA-O 3.31Å; G193-P593 WeakPolarHBondContact CA-O 3.36Å; G193-P593 PolarHBondContact N-O 2.79Å |
| 594 | G | 32.5 | Very low | 35.8 | Very low | 43 Ų | 43 | 123.5 Ų | 123.5 | 44% | 0.443 | 72% | 0.719 | S | S | . | * | | | cis | 150.3 | 130.3 | -12.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 595 | T | 35.7 | Very low | 35.5 | Very low | 146 Ų | 146 | 124.2 Ų | 124.2 | 90% | 0.896 | 72% | 0.724 | S | S | * | * | | | trans | 71.7 | 154 | 156.6 | 82.9 | 0 | 0 | 0 | 0 | 117.8 | | |
| 596 | K | 29.3 | Very low | 35.2 | Very low | 151 Ų | 151 | 124.6 Ų | 124.6 | 66% | 0.657 | 73% | 0.727 | S | S | * | * | | | cis | -155.4 | 132.6 | -5.6 | -142.1 | -167.6 | 179.6 | -159.6 | 0 | 112.7 | E598 | K596-E598 HydrophobicContact CD-CG 4.27Å; K596-E598 VanDerWaalsContact CE-CD 3.41Å; K596-E598 WeakPolarHBondContact CE-OE1 3.44Å; K596-E598 WeakPolarHBondContact CE-OE2 3.19Å; K596-E598 HydrophobicContact CG-CG 4.43Å; K596-E598 IonicContact NZ-OE1 3.49Å; K596-E598 PolarHBondContact NZ-OE1 3.49Å; K596-E598 IonicContact NZ-OE2 3.67Å; K596-E598 PolarHBondContact NZ-OE2 3.36Å |
| 597 | G | 33.6 | Very low | 35.4 | Very low | 73 Ų | 73 | 125.9 Ų | 125.9 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | | | | 74.4 | 171.3 | 113.1 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 598 | E | 34.4 | Very low | 35.4 | Very low | 136 Ų | 136 | 124.2 Ų | 124.2 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | | | cis | -159.2 | 165.4 | -8 | -54.8 | -174.2 | -103.3 | 0 | 0 | 107 | Y168 K596 | Y168-E598 PolarHBondContact OH-O 2.8Å; K596-E598 HydrophobicContact CD-CG 4.27Å; K596-E598 VanDerWaalsContact CE-CD 3.41Å; K596-E598 WeakPolarHBondContact CE-OE1 3.44Å; K596-E598 WeakPolarHBondContact CE-OE2 3.19Å; K596-E598 HydrophobicContact CG-CG 4.43Å; K596-E598 IonicContact NZ-OE1 3.49Å; K596-E598 PolarHBondContact NZ-OE1 3.49Å; K596-E598 IonicContact NZ-OE2 3.67Å; K596-E598 PolarHBondContact NZ-OE2 3.36Å |
| 599 | K | 32.7 | Very low | 35.6 | Very low | 182 Ų | 182 | 124.9 Ų | 124.9 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | | | cis | -170.6 | 145.3 | -36.1 | 175.2 | 175.3 | 178 | 179.1 | 0 | 107.4 | Y168 | Y168-K599 PolarHBondContact OH-N 3.49Å; Y168-K599 PolarHBondContact OH-O 3.45Å |
| 600 | G | 34.4 | Very low | 35.6 | Very low | 69 Ų | 69 | 123.6 Ų | 123.6 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | | | trans | 161.6 | 151.4 | 163 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 601 | R | 39.9 | Very low | 36.1 | Very low | 167 Ų | 167 | 121.5 Ų | 121.5 | 63% | 0.63 | 73% | 0.728 | S | S | * | * | | | cis | -167.6 | 119.9 | -3.1 | -172.8 | 179.3 | -167.1 | -105.1 | 3.6 | 112.5 | P165 | P165-R601 HydrophobicContact CB-CG 4.08Å; P165-R601 HydrophobicContact CG-CG 4.04Å; P165-R601 PolarHBondContact O-NE 2.84Å; P165-R601 PolarHBondContact O-NH2 3.16Å |
| 602 | I | 31.2 | Very low | 36.4 | Very low | 133 Ų | 133 | 121.9 Ų | 121.9 | 68% | 0.682 | 73% | 0.733 | S | S | * | * | | | trans | 70.8 | 143.5 | 164.7 | -62.1 | 166.8 | 0 | 0 | 0 | 115.7 | P165 | P165-I602 HydrophobicContact CG-CD1 4.16Å; P165-I602 HydrophobicContact CG-CG1 4.09Å |
| 603 | G | 35.3 | Very low | 36.1 | Very low | 58 Ų | 58 | 120.7 Ų | 120.7 | 60% | 0.598 | 73% | 0.727 | S | S | * | * | | | cis | -169.9 | -175.8 | 0.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 604 | E | 38.6 | Very low | 36.3 | Very low | 157 Ų | 157 | 123.4 Ų | 123.4 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | | | trans | -68.4 | 171.2 | 174.3 | -64 | 92 | 173.4 | 0 | 0 | 113.1 | | |
| 605 | D | 32.2 | Very low | 36.5 | Very low | 163 Ų | 163 | 124.7 Ų | 124.7 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | | | cis | -117.1 | -170.8 | 11.5 | -49.1 | -64.9 | 0 | 0 | 0 | 112.4 | | |
| 606 | G | 33.9 | Very low | 36.3 | Very low | 66 Ų | 66 | 122.8 Ų | 122.8 | 68% | 0.68 | 74% | 0.739 | S | S | * | * | | | cis | -174.7 | 178.4 | 4.4 | 0 | 0 | 0 | 0 | 0 | 111 | S608 | G606-S608 PolarHBondContact O-N 2.71Š|
| 607 | F | 38.9 | Very low | 36.6 | Very low | 230 Ų | 230 | 120.5 Ų | 120.5 | 100% | 1.009 | 74% | 0.742 | S | S | * | * | | | trans | -69.8 | 117.3 | -174.6 | -80.9 | -95.3 | 0 | 0 | 0 | 113.7 | | |
| 608 | S | 37.8 | Very low | 36.4 | Very low | 112 Ų | 112 | 119.1 Ų | 119.1 | 78% | 0.783 | 72% | 0.723 | S | S | * | * | | | trans | -104.2 | 123.9 | 161.5 | 57.7 | 0 | 0 | 0 | 0 | 109.6 | G606 | G606-S608 PolarHBondContact O-N 2.71Š|
| 609 | G | 37.1 | Very low | 36.2 | Very low | 72 Ų | 72 | 117.5 Ų | 117.5 | 74% | 0.742 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 166.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 610 | D | 42 | Very low | 36.1 | Very low | 160 Ų | 160 | 110.4 Ų | 110.4 | 86% | 0.856 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 142.6 | 176 | -64.5 | -70.4 | 0 | 0 | 0 | 111.7 | G612 | D610-G612 PolarHBondContact O-N 2.97Š|
| 611 | P | 44.7 | Very low | 36.2 | Very low | 125 Ų | 125 | 110.6 Ų | 110.6 | 81% | 0.812 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 121 | 177.9 | -22.1 | 33.4 | 0 | 0 | 0 | 111.3 | | |
| 612 | G | 38.7 | Very low | 35.7 | Very low | 71 Ų | 71 | 112.2 Ų | 112.2 | 73% | 0.732 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 139.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D610 | D610-G612 PolarHBondContact O-N 2.97Š|
| 613 | D | 39.9 | Very low | 35.8 | Very low | 153 Ų | 153 | 111.8 Ų | 111.8 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 140.2 | -178.4 | -71.5 | -63.1 | 0 | 0 | 0 | 112.4 | G615 | D613-G615 PolarHBondContact O-N 3.13Š|
| 614 | P | 39.1 | Very low | 35.6 | Very low | 125 Ų | 125 | 114.9 Ų | 114.9 | 81% | 0.812 | 70% | 0.701 | S | S | * | * | | | trans | -58.8 | 111.3 | 175.8 | -24.5 | 34.7 | 0 | 0 | 0 | 111.8 | E616 | P614-E616 PolarHBondContact O-N 3.06Š|
| 615 | G | 37.3 | Very low | 35.3 | Very low | 69 Ų | 69 | 114.5 Ų | 114.5 | 71% | 0.711 | 70% | 0.699 | S | S | * | * | | | trans | -56.1 | 128.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D613 S617 | D613-G615 PolarHBondContact O-N 3.13Å; G615-S617 PolarHBondContact O-N 2.89Å |
| 616 | E | 32.2 | Very low | 35.4 | Very low | 107 Ų | 107 | 113.2 Ų | 113.2 | 50% | 0.5 | 69% | 0.693 | S | S | . | * | | | trans | -78.7 | 92.9 | -175.2 | -163.7 | 172.9 | -148.6 | 0 | 0 | 111.8 | P614 A618 S1730 D1731 K1733 | P614-E616 PolarHBondContact O-N 3.06Å; E616-A618 PolarHBondContact O-N 2.94Å; E616-S1730 PolarHBondContact O-OG 2.83Å; E616-D1731 WeakPolarHBondContact OE2-CA 3.34Å; E616-D1731 WeakPolarHBondContact OE2-CB 3.21Å; E616-K1733 IonicContact OE1-NZ 2.97Å; E616-K1733 PolarHBondContact OE1-NZ 3.38Å; E616-K1733 IonicContact OE2-NZ 2.7Å; E616-K1733 PolarHBondContact OE2-NZ 2.87Å |
| 617 | S | 33.8 | Very low | 35.6 | Very low | 102 Ų | 102 | 114.9 Ų | 114.9 | 71% | 0.713 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 120.1 | -171.4 | -64.7 | 0 | 0 | 0 | 0 | 115.2 | G615 V619 | G615-S617 PolarHBondContact O-N 2.89Å; S617-V619 PolarHBondContact O-N 3.18Å |
| 618 | A | 29.8 | Very low | 35.4 | Very low | 44 Ų | 44 | 110.5 Ų | 110.5 | 36% | 0.364 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -63.6 | 117.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | E616 | E616-A618 PolarHBondContact O-N 2.94Š|
| 619 | V | 31.8 | Very low | 35.4 | Very low | 102 Ų | 102 | 109.9 Ų | 109.9 | 62% | 0.618 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 118.8 | 165.8 | -175.2 | 0 | 0 | 0 | 0 | 109.7 | S617 | S617-V619 PolarHBondContact O-N 3.18Š|
| 620 | V | 30.5 | Very low | 35.3 | Very low | 33 Ų | 33 | 109.3 Ų | 109.3 | 20% | 0.2 | 67% | 0.665 | C | S | . | * | | | trans | -130.5 | 129.7 | 170.5 | -173.1 | 0 | 0 | 0 | 0 | 106.6 | I236 I237 | I236-V620 WeakPolarHBondContact CB-O 3.29Å; I236-V620 HydrophobicContact CD1-CG1 4.25Å; I236-V620 VanDerWaalsContact CG1-C 3.49Å; I236-V620 HydrophobicContact CG1-CB 4.15Å; I236-V620 HydrophobicContact CG1-CG1 3.88Å; I236-V620 WeakPolarHBondContact CG1-O 3.28Å; I236-V620 WeakPolarHBondContact CG2-O 3.49Å; I237-V620 PolarHBondContact N-O 3.39Å |
| 621 | S | 34.9 | Very low | 35.1 | Very low | 74 Ų | 74 | 109 Ų | 109 | 52% | 0.517 | 66% | 0.663 | S | S | . | * | | | trans | -131.3 | 114 | -175.5 | -51.2 | 0 | 0 | 0 | 0 | 114.6 | I237 | I237-S621 PolarHBondContact O-OG 2.64Š|
| 622 | R | 29.9 | Very low | 34.7 | Very low | 200 Ų | 200 | 112.2 Ų | 112.2 | 76% | 0.755 | 67% | 0.667 | S | S | * | * | | | trans | -141.1 | 132.3 | 154.5 | -64.9 | 173.6 | 158.7 | 176.9 | -6.5 | 108.5 | I236 | I236-R622 HydrophobicContact CD1-CB 3.6Å; I236-R622 HydrophobicContact CD1-CG 4.07Å; I236-R622 VanDerWaalsContact CD1-N 3.33Å; I236-R622 HydrophobicContact CG1-CB 4.48Å; I236-R622 VanDerWaalsContact CG1-N 3.25Å; I236-R622 VanDerWaalsContact CG2-O 3.26Å; I236-R622 WeakPolarHBondContact CG2-O 3.49Å |
| 623 | V | 33 | Very low | 34.6 | Very low | 125 Ų | 125 | 111.8 Ų | 111.8 | 76% | 0.758 | 66% | 0.663 | S | S | * | * | | | trans | -103 | 131.9 | 152.6 | -148.6 | 0 | 0 | 0 | 0 | 102.3 | | |
| 624 | V | 30.7 | Very low | 34.3 | Very low | 123 Ų | 123 | 112 Ų | 112 | 75% | 0.745 | 66% | 0.664 | S | S | * | * | | | | 46.3 | 129.4 | 66 | -143.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 625 | E | 33.5 | Very low | 34 | Very low | 148 Ų | 148 | 115.2 Ų | 115.2 | 69% | 0.692 | 67% | 0.668 | S | S | * | * | | | cis | -138.1 | -176.9 | 41.7 | -79.5 | 168.1 | 149 | 0 | 0 | 109.2 | V627 | E625-V627 HydrophobicContact CB-CG2 3.88Å; E625-V627 HydrophobicContact CG-CG2 3.84Å |
| 626 | D | 34.4 | Very low | 33.8 | Very low | 136 Ų | 136 | 115.2 Ų | 115.2 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | | | cis | -113.8 | 140.8 | 24.1 | -60.4 | -60.1 | 0 | 0 | 0 | 112.7 | | |
| 627 | V | 38 | Very low | 33.8 | Very low | 101 Ų | 101 | 118.2 Ų | 118.2 | 61% | 0.612 | 68% | 0.682 | S | S | * | * | | | | 71.4 | 133 | 52.6 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | E625 | E625-V627 HydrophobicContact CB-CG2 3.88Å; E625-V627 HydrophobicContact CG-CG2 3.84Å |
| 628 | I | 35.4 | Very low | 33.9 | Very low | 139 Ų | 139 | 121.9 Ų | 121.9 | 71% | 0.713 | 69% | 0.688 | S | S | * | * | | | cis | -120.3 | 153.8 | 31 | -63.6 | 164.5 | 0 | 0 | 0 | 110.3 | | |
| 629 | S | 36.7 | Very low | 34.1 | Very low | 99 Ų | 99 | 122.8 Ų | 122.8 | 69% | 0.692 | 70% | 0.702 | S | S | * | * | | | cis | -139.8 | -162.2 | -2.2 | -130.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 630 | G | 36 | Very low | 34.1 | Very low | 60 Ų | 60 | 123.7 Ų | 123.7 | 62% | 0.619 | 71% | 0.713 | S | S | * | * | | | cis | 99.9 | 132.9 | 10.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 631 | D | 36.2 | Very low | 34.3 | Very low | 152 Ų | 152 | 130.3 Ų | 130.3 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | | | cis | -156.6 | 161 | 8.3 | -32.3 | -63.8 | 0 | 0 | 0 | 107.7 | | |
| 632 | E | 36.9 | Very low | 34.5 | Very low | 193 Ų | 193 | 129.8 Ų | 129.8 | 90% | 0.902 | 75% | 0.751 | S | S | * | * | | | cis | -169.8 | 144.6 | -21.3 | 175.3 | 169.2 | -112.7 | 0 | 0 | 109.1 | | |
| 633 | G | 36.8 | Very low | 34.8 | Very low | 62 Ų | 62 | 127.9 Ų | 127.9 | 64% | 0.639 | 76% | 0.756 | S | S | * | * | | | trans | 80.4 | 155.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 634 | D | 33.3 | Very low | 35 | Very low | 158 Ų | 158 | 129.7 Ų | 129.7 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | | | cis | -157.8 | 155 | -3.9 | -85.2 | -35.5 | 0 | 0 | 0 | 113.8 | | |
| 635 | E | 32.4 | Very low | 35.1 | Very low | 192 Ų | 192 | 127.3 Ų | 127.3 | 90% | 0.897 | 76% | 0.761 | S | S | * | * | | | trans | 32.1 | 139.3 | 153 | -57.4 | -168.9 | 148.1 | 0 | 0 | 126.1 | | |
| 636 | G | 33.5 | Very low | 35.3 | Very low | 70 Ų | 70 | 127.5 Ų | 127.5 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | | | trans | 98.7 | 146.1 | 153.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 637 | H | 33.1 | Very low | 35.4 | Very low | 170 Ų | 170 | 132 Ų | 132 | 79% | 0.787 | 77% | 0.773 | S | S | * | * | | | cis | -153.3 | 145.1 | 9.9 | -119 | -104.2 | 0 | 0 | 0 | 112.3 | | |
| 638 | E | 35.5 | Very low | 35.4 | Very low | 178 Ų | 178 | 130.1 Ų | 130.1 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | | | trans | 62.6 | 162.6 | 134.4 | -148.6 | 149.3 | -160.9 | 0 | 0 | 121.9 | | |
| 639 | G | 33.8 | Very low | 35.5 | Very low | 64 Ų | 64 | 131.6 Ų | 131.6 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | | | trans | -130.5 | 167.5 | -171 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 640 | S | 32 | Very low | 35.4 | Very low | 120 Ų | 120 | 136.5 Ų | 136.5 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | | | trans | -24.7 | 137.5 | 178.7 | 56.2 | 0 | 0 | 0 | 0 | 120 | | |
| 641 | I | 35 | Very low | 35.4 | Very low | 172 Ų | 172 | 137.1 Ų | 137.1 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | | | trans | -121.6 | 148.8 | 141.7 | -67.3 | 178.6 | 0 | 0 | 0 | 106.9 | | |
| 642 | G | 38.4 | Very low | 35.7 | Very low | 63 Ų | 63 | 139 Ų | 139 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | | | trans | -107.5 | 174.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 643 | D | 36.1 | Very low | 35.7 | Very low | 161 Ų | 161 | 136 Ų | 136 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | | | trans | -71.3 | -178.9 | -179.5 | -50 | -78.2 | 0 | 0 | 0 | 113 | | |
| 644 | I | 36.5 | Very low | 35.9 | Very low | 162 Ų | 162 | 136.3 Ų | 136.3 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | | | cis | -146.6 | 155.6 | 24.7 | -61.7 | 170.6 | 0 | 0 | 0 | 107.3 | | |
| 645 | G | 34.3 | Very low | 36.4 | Very low | 74 Ų | 74 | 134.5 Ų | 134.5 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | | | cis | -176.7 | -139.3 | 7.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 646 | D | 37.5 | Very low | 36.5 | Very low | 151 Ų | 151 | 133.7 Ų | 133.7 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | | | cis | -152.2 | -119.4 | -8.2 | -176.5 | -120.5 | 0 | 0 | 0 | 111 | | |
| 647 | R | 35.9 | Very low | 36.8 | Very low | 232 Ų | 232 | 133.9 Ų | 133.9 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | | | trans | -147.5 | 149.3 | -149.1 | -165.8 | 175.6 | -175.9 | 168.2 | 1.3 | 118 | | |
| 648 | G | 37.8 | Very low | 37.3 | Very low | 61 Ų | 61 | 133.6 Ų | 133.6 | 63% | 0.629 | 81% | 0.81 | S | S | * | * | | | trans | 121.1 | 136.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 649 | D | 37.2 | Very low | 37.4 | Very low | 170 Ų | 170 | 134.7 Ų | 134.7 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | | | cis | -143.5 | 178.2 | 6.5 | -83.2 | -26.6 | 0 | 0 | 0 | 112.6 | | |
| 650 | E | 35.6 | Very low | 37.7 | Very low | 201 Ų | 201 | 134.8 Ų | 134.8 | 94% | 0.939 | 82% | 0.815 | S | S | * | * | | | trans | -83.3 | 167 | -157.7 | -51.3 | 176.7 | 129.4 | 0 | 0 | 117.7 | | |
| 651 | G | 35.6 | Very low | 37.8 | Very low | 73 Ų | 73 | 137 Ų | 137 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | | | trans | 173.3 | 69.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 652 | E | 42.7 | Very low | 37.9 | Very low | 193 Ų | 193 | 139 Ų | 139 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | | | trans | -63 | 150.6 | 164.7 | -58.8 | -162.9 | 137.6 | 0 | 0 | 111.5 | | |
| 653 | P | 37.5 | Very low | 37.9 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | | | | -154.8 | 148.7 | 92.1 | 37.3 | -18.3 | 0 | 0 | 0 | 117.7 | | |
| 654 | G | 41 | Very low | 37.8 | Very low | 70 Ų | 70 | 140.2 Ų | 140.2 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | | | trans | 112.3 | 88.7 | 135.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 655 | P | 43.6 | Very low | 37.8 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | | | trans | -83.3 | 159.9 | 165 | 35.1 | -35.2 | 0 | 0 | 0 | 113.1 | | |
| 656 | I | 34.9 | Very low | 37.8 | Very low | 175 Ų | 175 | 139.2 Ų | 139.2 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | | | trans | 149.3 | 129.7 | 145.1 | -80.1 | 158.4 | 0 | 0 | 0 | 110.3 | | |
| 657 | G | 39.7 | Very low | 37.6 | Very low | 75 Ų | 75 | 137.3 Ų | 137.3 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | -176 | 25 | 179.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 658 | D | 43 | Very low | 37.7 | Very low | 164 Ų | 164 | 133.6 Ų | 133.6 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | | | trans | -71.8 | 129.4 | -179.3 | -68.6 | -62.3 | 0 | 0 | 0 | 114.2 | | |
| 659 | E | 38.6 | Very low | 37.7 | Very low | 201 Ų | 201 | 134.4 Ų | 134.4 | 94% | 0.939 | 81% | 0.808 | S | S | * | * | | | trans | -158.3 | 144.8 | 151.1 | -113.1 | -170.3 | -171.8 | 0 | 0 | 110.7 | | |
| 660 | G | 39.9 | Very low | 37.4 | Very low | 65 Ų | 65 | 135.2 Ų | 135.2 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | | | cis | -177.7 | 120.2 | -2.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 661 | L | 32.9 | Very low | 37.3 | Very low | 168 Ų | 168 | 134.7 Ų | 134.7 | 88% | 0.88 | 80% | 0.804 | S | S | * | * | | | trans | 26.2 | 124.6 | 141.2 | -62.8 | 171.1 | 0 | 0 | 0 | 121.9 | | |
| 662 | K | 37.7 | Very low | 37.4 | Very low | 212 Ų | 212 | 134.6 Ų | 134.6 | 92% | 0.922 | 80% | 0.803 | S | S | * | * | | | | -143.2 | 127.9 | 125.3 | -66.5 | -175.2 | -178.4 | 153.8 | 0 | 108.4 | | |
| 663 | G | 38.7 | Very low | 37.6 | Very low | 67 Ų | 67 | 131.3 Ų | 131.3 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | | | cis | 92 | 137.2 | 10.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 664 | Q | 33.1 | Very low | 37.6 | Very low | 184 Ų | 184 | 133.9 Ų | 133.9 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | | | cis | -139.2 | -171.6 | -1.2 | -64 | 179.3 | -15.6 | 0 | 0 | 107.5 | | |
| 665 | Q | 37.7 | Very low | 37.5 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | | | cis | -157.6 | 160.8 | 18.2 | -153.7 | -179 | -32.2 | 0 | 0 | 106.3 | | |
| 666 | G | 34.2 | Very low | 37.3 | Very low | 56 Ų | 56 | 137.3 Ų | 137.3 | 58% | 0.577 | 81% | 0.808 | S | S | * | * | | | | 56.4 | 132.1 | 61.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 667 | T | 33.5 | Very low | 37.1 | Very low | 110 Ų | 110 | 136.2 Ų | 136.2 | 68% | 0.675 | 81% | 0.809 | S | S | * | * | | | cis | -168.4 | 157.7 | 24.8 | 46.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 668 | D | 36.6 | Very low | 36.9 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | | | cis | -168.2 | 165.1 | -12.8 | -79.1 | -26.8 | 0 | 0 | 0 | 107.7 | | |
| 669 | G | 37.9 | Very low | 36.6 | Very low | 78 Ų | 78 | 134 Ų | 134 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | 168.8 | 147 | 169.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 670 | E | 31 | Very low | 36.4 | Very low | 187 Ų | 187 | 131.1 Ų | 131.1 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | | | trans | -65.7 | 166.8 | -178.9 | -55.6 | 164.2 | 153.9 | 0 | 0 | 113 | | |
| 671 | Q | 32.7 | Very low | 36.2 | Very low | 189 Ų | 189 | 131.5 Ų | 131.5 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | cis | -172.6 | 152.8 | 37.5 | -167.1 | 175.1 | 39.4 | 0 | 0 | 112.5 | | |
| 672 | G | 37.8 | Very low | 36.2 | Very low | 72 Ų | 72 | 131.6 Ų | 131.6 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | trans | 110.9 | 119.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 673 | P | 47 | Very low | 36.2 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | | | trans | -124.2 | 156.9 | 175.2 | 40.7 | -29.2 | 0 | 0 | 0 | 116.1 | | |
| 674 | I | 37.6 | Very low | 35.9 | Very low | 182 Ų | 182 | 130.2 Ų | 130.2 | 93% | 0.933 | 80% | 0.796 | S | S | * | * | | | trans | 176.6 | 145.9 | 158.2 | -93.1 | 149.3 | 0 | 0 | 0 | 105.1 | | |
| 675 | G | 39 | Very low | 35.8 | Very low | 68 Ų | 68 | 130.2 Ų | 130.2 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | cis | 163.2 | 136.9 | -2.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 676 | E | 39.8 | Very low | 35.6 | Very low | 193 Ų | 193 | 128.7 Ų | 128.7 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | | | trans | -98.2 | -163 | -164.7 | -60.3 | 167.5 | 143.3 | 0 | 0 | 113.9 | | |
| 677 | V | 31.3 | Very low | 35.5 | Very low | 151 Ų | 151 | 130 Ų | 130 | 92% | 0.915 | 81% | 0.811 | S | S | * | * | | | trans | 98.2 | 130.3 | -176.5 | -178.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 678 | G | 35.1 | Very low | 35.3 | Very low | 64 Ų | 64 | 132.7 Ų | 132.7 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | | | cis | 174.4 | 178.9 | -3.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 679 | D | 35.7 | Very low | 34.9 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 68% | 0.684 | 81% | 0.809 | S | S | * | * | | | trans | -89.5 | 166.9 | -168.8 | -49.1 | -71 | 0 | 0 | 0 | 115.9 | P366 | P366-D679 HydrophobicContact CB-CB 4.18Š|
| 680 | D | 36.4 | Very low | 34.6 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | | | trans | 67 | 140.8 | 158.7 | -55.8 | -29.3 | 0 | 0 | 0 | 122.1 | P366 | P366-D680 WeakPolarHBondContact CG-OD2 3.04Š|
| 681 | G | 35.6 | Very low | 34.7 | Very low | 72 Ų | 72 | 126.1 Ų | 126.1 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | trans | 164 | 122.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 682 | D | 32.9 | Very low | 34.7 | Very low | 171 Ų | 171 | 120.2 Ų | 120.2 | 91% | 0.914 | 76% | 0.757 | S | S | * | * | | | trans | -72.6 | 179.5 | -175.7 | -56.9 | -81.5 | 0 | 0 | 0 | 115.6 | | |
| 683 | D | 37.2 | Very low | 34.6 | Very low | 173 Ų | 173 | 121.7 Ų | 121.7 | 93% | 0.925 | 75% | 0.751 | S | S | * | * | | | trans | -51.4 | 147.8 | -173.9 | -74.4 | -56.2 | 0 | 0 | 0 | 116.7 | | |
| 684 | G | 32.9 | Very low | 34.1 | Very low | 76 Ų | 76 | 121.6 Ų | 121.6 | 78% | 0.784 | 74% | 0.738 | S | S | * | * | | | trans | -146.5 | 109.7 | 171 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 685 | E | 31.1 | Very low | 34.2 | Very low | 185 Ų | 185 | 115.8 Ų | 115.8 | 86% | 0.864 | 72% | 0.723 | S | S | * | * | | | trans | -68 | 142.3 | -173.4 | -63.1 | -175.2 | 113.6 | 0 | 0 | 114.8 | | |
| 686 | T | 31.6 | Very low | 33.9 | Very low | 127 Ų | 127 | 116.8 Ų | 116.8 | 78% | 0.779 | 71% | 0.71 | S | S | * | * | | | trans | 31.2 | 121.4 | 150.9 | 58.6 | 0 | 0 | 0 | 0 | 121 | | |
| 687 | G | 32 | Very low | 33.8 | Very low | 83 Ų | 83 | 112.1 Ų | 112.1 | 86% | 0.856 | 70% | 0.695 | S | S | * | * | | | trans | -132.4 | 70.6 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 688 | E | 29.2 | Very low | 33.9 | Very low | 166 Ų | 166 | 107.3 Ų | 107.3 | 78% | 0.776 | 68% | 0.676 | S | S | * | * | | | trans | -70.2 | 131.6 | 176.7 | -60.3 | -172.9 | 133.6 | 0 | 0 | 113 | | |
| 689 | N | 28.8 | Very low | 33.8 | Very low | 130 Ų | 130 | 112.5 Ų | 112.5 | 70% | 0.695 | 68% | 0.683 | S | S | * | * | | | | 167.7 | 135.2 | 105.6 | -96.4 | -78.2 | 0 | 0 | 0 | 113.6 | | |
| 690 | G | 31.6 | Very low | 34.1 | Very low | 62 Ų | 62 | 113 Ų | 113 | 64% | 0.639 | 69% | 0.685 | S | S | * | * | | | trans | -177.2 | 64 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 691 | I | 34.4 | Very low | 34.1 | Very low | 90 Ų | 90 | 108.9 Ų | 108.9 | 46% | 0.462 | 68% | 0.676 | S | S | . | * | | | trans | -73.6 | -176.7 | -158.2 | 5.5 | 173.1 | 0 | 0 | 0 | 116.6 | C51 V52 G53 | C51-I691 CarbonylContact C-O 3.44Å; V52-I691 CarbonylContact C-O 3.57Å; V52-I691 WeakPolarHBondContact CA-O 3Å; V52-I691 PolarHBondContact N-O 3.33Å; G53-I691 WeakPolarHBondContact CA-O 3.49Å; G53-I691 PolarHBondContact N-O 3.24Å |
| 692 | D | 31.6 | Very low | 34.1 | Very low | 66 Ų | 66 | 112.6 Ų | 112.6 | 35% | 0.353 | 67% | 0.674 | S | S | . | * | | | trans | -66.5 | 151.4 | -171.3 | -37.2 | -130.4 | 0 | 0 | 0 | 120.5 | V52 G53 P54 K694 | V52-D692 CarbonylContact C-O 3.5Å; V52-D692 VanDerWaalsContact C-O 3.3Å; V52-D692 CarbonylContact O-C 3.39Å; G53-D692 CarbonylContact C-O 3.13Å; G53-D692 WeakPolarHBondContact CA-O 3.47Å; P54-D692 WeakPolarHBondContact CD-O 3.44Å; P54-D692 HydrophobicContact CG-CB 4.49Å; P54-D692 VanDerWaalsContact N-O 3.12Å; D692-K694 IonicContact OD1-NZ 3.31Å; D692-K694 PolarHBondContact OD1-NZ 2.83Å |
| 693 | V | 35.3 | Very low | 34.5 | Very low | 102 Ų | 102 | 113.1 Ų | 113.1 | 62% | 0.618 | 66% | 0.663 | S | S | * | * | | | | -139.9 | 146.9 | 114.8 | -131.6 | 0 | 0 | 0 | 0 | 112.9 | V52 | V52-V693 WeakPolarHBondContact O-CG2 3.41Š|
| 694 | K | 36.3 | Very low | 34.5 | Very low | 122 Ų | 122 | 108 Ų | 108 | 53% | 0.53 | 65% | 0.651 | S | S | . | * | | | trans | -100.7 | 160.5 | 172.5 | -59.8 | 161 | 174.4 | 148.8 | 0 | 108.3 | C44 D692 | C44-K694 VanDerWaalsContact SG-CD 3.57Å; C44-K694 WeakPolarHBondContact SG-CG 3.46Å; D692-K694 IonicContact OD1-NZ 3.31Å; D692-K694 PolarHBondContact OD1-NZ 2.83Å |
| 695 | G | 39.8 | Very low | 34.6 | Very low | 60 Ų | 60 | 111.2 Ų | 111.2 | 62% | 0.619 | 65% | 0.65 | S | S | * | * | | | cis | 159.4 | 176.4 | -0.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 696 | M | 34 | Very low | 34.7 | Very low | 90 Ų | 90 | 112.2 Ų | 112.2 | 44% | 0.443 | 66% | 0.655 | S | S | . | * | | | trans | 114.8 | 105 | 152.9 | -68.4 | -121.1 | 100.4 | 0 | 0 | 123.5 | V43 C44 A45 | V43-M696 HydrophobicContact CB-CE 4.02Å; V43-M696 HydrophobicContact CB-CG 4.32Å; V43-M696 HydrophobicContact CB-SD 3.5Å; V43-M696 VanDerWaalsContact CB-SD 3.5Å; V43-M696 HydrophobicContact CG1-CE 3.74Å; V43-M696 HydrophobicContact CG1-SD 3.5Å; V43-M696 WeakPolarHBondContact CG1-SD 3.47Å; V43-M696 WeakPolarHBondContact O-CG 3.38Å; C44-M696 VanDerWaalsContact C-CE 3.45Å; C44-M696 WeakPolarHBondContact O-CE 3.37Å; A45-M696 HydrophobicContact CB-CE 3.78Å; A45-M696 VanDerWaalsContact O-CA 3.29Å; A45-M696 WeakPolarHBondContact O-CA 3.43Å; A45-M696 PolarHBondContact O-N 3.04Å |
| 697 | V | 36.5 | Very low | 34.8 | Very low | 94 Ų | 94 | 109.6 Ų | 109.6 | 57% | 0.57 | 65% | 0.653 | S | S | * | * | | | trans | 87.9 | 107.9 | 132.2 | -172.5 | 0 | 0 | 0 | 0 | 122.1 | A45 P46 | A45-V697 HydrophobicContact CB-CB 4.2Å; A45-V697 HydrophobicContact CB-CG2 3.55Å; A45-V697 PolarHBondContact O-N 3.46Å; P46-V697 PolarHBondContact O-N 3.46Å |
| 698 | G | 33.5 | Very low | 35 | Very low | 50 Ų | 50 | 114 Ų | 114 | 52% | 0.515 | 66% | 0.657 | S | S | . | * | | | | 89.5 | 154.9 | 129.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 699 | E | 33.3 | Very low | 35.4 | Very low | 174 Ų | 174 | 113 Ų | 113 | 81% | 0.813 | 66% | 0.661 | S | S | * | * | | | cis | -170.2 | 156.3 | -13.6 | -144.5 | -177.9 | -140.6 | 0 | 0 | 111.6 | | |
| 700 | L | 42 | Very low | 35.7 | Very low | 138 Ų | 138 | 110 Ų | 110 | 72% | 0.723 | 66% | 0.661 | S | S | * | * | | | trans | 73.8 | 130 | 156.6 | -110.9 | 73.3 | 0 | 0 | 0 | 125.2 | K846 | L700-K846 PolarHBondContact O-NZ 3.01Š|
| 701 | G | 35.9 | Very low | 35.9 | Very low | 56 Ų | 56 | 116.5 Ų | 116.5 | 58% | 0.577 | 68% | 0.675 | S | S | * | * | | | trans | 93.7 | 143.4 | 131.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | K846 | G701-K846 PolarHBondContact O-NZ 3.17Š|
| 702 | E | 36.5 | Very low | 35.8 | Very low | 149 Ų | 149 | 122 Ų | 122 | 70% | 0.696 | 70% | 0.695 | S | S | * | * | | | cis | -173.4 | 152.6 | -6.3 | -141.3 | -169 | -176.8 | 0 | 0 | 114 | | |
| 703 | R | 39.7 | Very low | 35.9 | Very low | 182 Ų | 182 | 122.1 Ų | 122.1 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | | | trans | 58.7 | 152.3 | 154.4 | -161.8 | 169.1 | -64.4 | 96.2 | 9.1 | 119.7 | D705 | R703-D705 VanDerWaalsContact CG-OD1 3.32Å; R703-D705 WeakPolarHBondContact CG-OD1 3.16Å |
| 704 | G | 37.3 | Very low | 35.9 | Very low | 65 Ų | 65 | 126.3 Ų | 126.3 | 67% | 0.67 | 72% | 0.724 | S | S | * | * | | | cis | -175.8 | -167.7 | 0.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 705 | D | 36 | Very low | 35.7 | Very low | 144 Ų | 144 | 131.2 Ų | 131.2 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | | | cis | -151.8 | 178.6 | 4.6 | -71.9 | -51 | 0 | 0 | 0 | 110.5 | R703 | R703-D705 VanDerWaalsContact CG-OD1 3.32Å; R703-D705 WeakPolarHBondContact CG-OD1 3.16Å |
| 706 | E | 34 | Very low | 35.2 | Very low | 206 Ų | 206 | 131.4 Ų | 131.4 | 96% | 0.963 | 75% | 0.748 | S | S | * | * | | | trans | -111.4 | 171.8 | -158.2 | -51.8 | 177.6 | 139.8 | 0 | 0 | 117.9 | | |
| 707 | G | 32.6 | Very low | 35 | Very low | 72 Ų | 72 | 135.5 Ų | 135.5 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | | | trans | 149.5 | 125.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 708 | L | 36 | Very low | 34.6 | Very low | 177 Ų | 177 | 136.3 Ų | 136.3 | 93% | 0.927 | 79% | 0.787 | S | S | * | * | | | cis | -132.9 | 145.8 | 25.3 | -73.3 | 164.1 | 0 | 0 | 0 | 114.4 | | |
| 709 | V | 38.7 | Very low | 34.3 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | | | trans | -47.4 | 143.8 | 165.6 | -175.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 710 | G | 34.8 | Very low | 34.1 | Very low | 66 Ų | 66 | 135.6 Ų | 135.6 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | | | cis | 147.4 | 86 | -0 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 711 | E | 36.1 | Very low | 33.5 | Very low | 199 Ų | 199 | 137.4 Ų | 137.4 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | | | trans | -81.8 | 159.6 | 175.5 | -67.8 | -172.7 | 131.6 | 0 | 0 | 111.8 | G713 | E711-G713 PolarHBondContact O-N 3.31Š|
| 712 | K | 31.8 | Very low | 32.9 | Very low | 206 Ų | 206 | 140.8 Ų | 140.8 | 90% | 0.896 | 81% | 0.814 | S | S | * | * | | | trans | -82.1 | 89.8 | -165.9 | -171.4 | -171.6 | 179.5 | -164.7 | 0 | 110.7 | E714 | K712-E714 PolarHBondContact O-N 3.22Š|
| 713 | G | 33 | Very low | 32.4 | Very low | 68 Ų | 68 | 140.6 Ų | 140.6 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | | | trans | -53 | 133.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E711 | E711-G713 PolarHBondContact O-N 3.31Š|
| 714 | E | 35.6 | Very low | 31.8 | Very low | 189 Ų | 189 | 137.8 Ų | 137.8 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | | | trans | -72 | 149.2 | -179.1 | -64.9 | 177.3 | 130.4 | 0 | 0 | 111 | K712 G716 | K712-E714 PolarHBondContact O-N 3.22Å; E714-G716 PolarHBondContact O-N 3.49Å |
| 715 | K | 32.4 | Very low | 31.5 | Very low | 225 Ų | 225 | 140.8 Ų | 140.8 | 98% | 0.978 | 83% | 0.83 | S | S | * | * | | | trans | -90.1 | 88.5 | 177.9 | -75.4 | -173.2 | 174.9 | -174.9 | 0 | 110.1 | | |
| 716 | G | 28.3 | Very low | 31.5 | Very low | 65 Ų | 65 | 139.1 Ų | 139.1 | 67% | 0.67 | 82% | 0.82 | S | S | * | * | | | trans | -176 | 147.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | E714 | E714-G716 PolarHBondContact O-N 3.49Š|
| 717 | I | 31.2 | Very low | 31.7 | Very low | 175 Ų | 175 | 132.9 Ų | 132.9 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | | | cis | -133.1 | 152.7 | -2.9 | 33.3 | 174.9 | 0 | 0 | 0 | 108.8 | | |
| 718 | A | 28.7 | Very low | 32.2 | Very low | 112 Ų | 112 | 132 Ų | 132 | 93% | 0.926 | 77% | 0.768 | S | S | * | * | | | trans | -74.2 | 135.7 | -165.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 719 | G | 26.5 | Very low | 32.4 | Very low | 67 Ų | 67 | 129.9 Ų | 129.9 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | | | trans | -104.6 | 143.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 720 | V | 29.8 | Very low | 32.3 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | | | trans | 74.9 | 118.3 | 153.7 | -175.7 | 0 | 0 | 0 | 0 | 117.9 | | |
| 721 | M | 27.5 | Very low | 32.5 | Very low | 175 Ų | 175 | 129.8 Ų | 129.8 | 86% | 0.862 | 72% | 0.721 | S | S | * | * | | | trans | -59.4 | 131.7 | 165.2 | -47.3 | 156.7 | -160.3 | 0 | 0 | 111.3 | | |
| 722 | T | 24 | Very low | 32.6 | Very low | 127 Ų | 127 | 122.4 Ų | 122.4 | 78% | 0.779 | 69% | 0.69 | S | S | * | * | | | | 175.5 | 153.4 | 125.8 | 27.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 723 | N | 26.8 | Very low | 32.6 | Very low | 145 Ų | 145 | 116.8 Ų | 116.8 | 78% | 0.775 | 68% | 0.682 | S | S | * | * | | | trans | 58.3 | 57.2 | 168.2 | -67.3 | -6 | 0 | 0 | 0 | 118 | | |
| 724 | C | 26.4 | Very low | 32.3 | Very low | 123 Ų | 123 | 119.7 Ų | 119.7 | 83% | 0.831 | 68% | 0.675 | S | S | * | * | | | trans | -88.3 | 84.1 | 141.2 | -79.5 | 0 | 0 | 0 | 0 | 109.3 | I726 | C724-I726 PolarHBondContact O-N 3.2Š|
| 725 | T | 31 | Very low | 32 | Very low | 129 Ų | 129 | 116 Ų | 116 | 79% | 0.791 | 66% | 0.661 | S | S | * | * | | | trans | -71.2 | 85.2 | 165 | 49.8 | 0 | 0 | 0 | 0 | 109 | D727 | T725-D727 PolarHBondContact O-N 2.8Š|
| 726 | I | 37 | Very low | 32 | Very low | 108 Ų | 108 | 111.2 Ų | 111.2 | 55% | 0.554 | 64% | 0.643 | S | S | * | * | | | trans | -67.5 | 110.2 | 167.3 | -58.6 | 177.2 | 0 | 0 | 0 | 106.6 | C724 W728 L731 | C724-I726 PolarHBondContact O-N 3.2Å; I726-W728 HydrophobicContact CB-CE3 4.47Å; I726-W728 HydrophobicContact CG2-CE3 3.76Å; I726-W728 HydrophobicContact CG2-CZ3 4.18Å; I726-W728 PolarHBondContact O-N 3.47Å; I726-L731 HydrophobicContact CG2-CD1 4.05Å |
| 727 | D | 38 | Very low | 31.9 | Very low | 76 Ų | 76 | 112.7 Ų | 112.7 | 41% | 0.406 | 64% | 0.643 | S | S | . | * | | | trans | -69.9 | 83.1 | 173.1 | 179 | 20.5 | 0 | 0 | 0 | 109.5 | T725 R729 Q730 | T725-D727 PolarHBondContact O-N 2.8Å; D727-R729 PolarHBondContact O-N 3.08Å; D727-R729 VanDerWaalsContact OD1-CB 3.31Å; D727-R729 WeakPolarHBondContact OD1-CB 3.28Å; D727-R729 WeakPolarHBondContact OD1-CG 3.16Å; D727-Q730 PolarHBondContact O-N 3.29Å; D727-Q730 PolarHBondContact OD2-NE2 3.01Å |
| 728 | W | 41.7 | Very low | 31.8 | Very low | 54 Ų | 54 | 111.6 Ų | 111.6 | 21% | 0.205 | 63% | 0.634 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -59.4 | -20.6 | -174.6 | -152.3 | -98.3 | 0 | 0 | 0 | 112.4 | I726 Q730 L731 V732 F1560 V1633 | I726-W728 HydrophobicContact CB-CE3 4.47Å; I726-W728 HydrophobicContact CG2-CE3 3.76Å; I726-W728 HydrophobicContact CG2-CZ3 4.18Å; I726-W728 PolarHBondContact O-N 3.47Å; W728-Q730 PolarHBondContact O-N 3.27Å; W728-L731 HydrophobicContact CD2-CD1 4.04Å; W728-L731 HydrophobicContact CE3-CD1 3.76Å; W728-L731 HydrophobicContact CH2-CD1 4.18Å; W728-L731 HydrophobicContact CZ2-CD1 4.45Å; W728-L731 HydrophobicContact CZ3-CD1 3.84Å; W728-L731 PolarHBondContact O-N 3.36Å; W728-V732 WeakPolarHBondContact O-CG2 3.22Å; W728-V732 PolarHBondContact O-N 3.44Å; W728-F1560 HydrophobicContact CB-CE2 3.91Å; W728-F1560 HydrophobicContact CG-CE2 4.45Å; W728-V1633 HydrophobicContact CZ2-CG2 4.48Å |
| 729 | R | 40 | Very low | 31.9 | Very low | 132 Ų | 132 | 110.9 Ų | 110.9 | 50% | 0.498 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -57.4 | -31.9 | 173.4 | -56.6 | 171.8 | 173.5 | 167.6 | -1.3 | 111.9 | D727 A733 D1563 | D727-R729 PolarHBondContact O-N 3.08Å; D727-R729 VanDerWaalsContact OD1-CB 3.31Å; D727-R729 WeakPolarHBondContact OD1-CB 3.28Å; D727-R729 WeakPolarHBondContact OD1-CG 3.16Å; R729-A733 WeakPolarHBondContact O-CB 3.38Å; R729-A733 PolarHBondContact O-N 2.97Å; R729-A733 VanDerWaalsContact O-N 3.08Å; R729-D1563 IonicContact CZ-OD1 3.07Å; R729-D1563 IonicContact CZ-OD2 3.53Å; R729-D1563 IonicContact NE-OD1 2.81Å; R729-D1563 PolarHBondContact NE-OD1 3.21Å; R729-D1563 IonicContact NE-OD2 3.5Å; R729-D1563 PolarHBondContact NE-OD2 3.48Å; R729-D1563 IonicContact NH2-OD1 3.96Å; R729-D1563 PolarHBondContact NH2-OD1 3.3Å; R729-D1563 IonicContact NH2-OD2 2.71Å |
| 730 | Q | 36.7 | Very low | 32 | Very low | 135 Ų | 135 | 112.5 Ų | 112.5 | 63% | 0.631 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -77.2 | -18.6 | 175.8 | -69.2 | -176.7 | 52.1 | 0 | 0 | 114.2 | D727 W728 | D727-Q730 PolarHBondContact O-N 3.29Å; D727-Q730 PolarHBondContact OD2-NE2 3.01Å; W728-Q730 PolarHBondContact O-N 3.27Å |
| 731 | L | 40.1 | Very low | 31.9 | Very low | 73 Ų | 73 | 109.1 Ų | 109.1 | 38% | 0.382 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -87.3 | -42.1 | 173.8 | -73.2 | 165.1 | 0 | 0 | 0 | 111.2 | I726 W728 K734 N735 | I726-L731 HydrophobicContact CG2-CD1 4.05Å; W728-L731 HydrophobicContact CD2-CD1 4.04Å; W728-L731 HydrophobicContact CE3-CD1 3.76Å; W728-L731 HydrophobicContact CH2-CD1 4.18Å; W728-L731 HydrophobicContact CZ2-CD1 4.45Å; W728-L731 HydrophobicContact CZ3-CD1 3.84Å; W728-L731 PolarHBondContact O-N 3.36Å; L731-K734 PolarHBondContact O-N 3Å; L731-N735 VanDerWaalsContact O-CG 3.31Å; L731-N735 PolarHBondContact O-N 2.67Å; L731-N735 PolarHBondContact O-ND2 2.74Å |
| 732 | V | 38 | Very low | 32.1 | Very low | 44 Ų | 44 | 105.2 Ų | 105.2 | 27% | 0.267 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.5 | -42.3 | 176.6 | -175.8 | 0 | 0 | 0 | 0 | 111 | W728 K734 N735 L1632 | W728-V732 WeakPolarHBondContact O-CG2 3.22Å; W728-V732 PolarHBondContact O-N 3.44Å; V732-K734 PolarHBondContact O-N 2.77Å; V732-N735 PolarHBondContact O-N 3.34Å; V732-L1632 HydrophobicContact CB-CD1 4.4Å; V732-L1632 HydrophobicContact CG1-CD1 3.93Å; V732-L1632 HydrophobicContact CG2-CD1 3.67Å |
| 733 | A | 30.9 | Very low | 32.4 | Very low | 89 Ų | 89 | 109 Ų | 109 | 74% | 0.736 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 7.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R729 | R729-A733 WeakPolarHBondContact O-CB 3.38Å; R729-A733 PolarHBondContact O-N 2.97Å; R729-A733 VanDerWaalsContact O-N 3.08Å |
| 734 | K | 28.6 | Very low | 32.5 | Very low | 129 Ų | 129 | 102.3 Ų | 102.3 | 56% | 0.561 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.4 | -24.1 | 174.3 | -80.6 | -169.3 | 163 | -156 | 0 | 114.6 | L731 V732 E736 | L731-K734 PolarHBondContact O-N 3Å; V732-K734 PolarHBondContact O-N 2.77Å; K734-E736 PolarHBondContact O-N 2.99Å |
| 735 | N | 29 | Very low | 32.7 | Very low | 110 Ų | 110 | 104.6 Ų | 104.6 | 59% | 0.588 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 38.1 | -169.3 | -75.4 | -12.6 | 0 | 0 | 0 | 115.2 | L731 V732 | L731-N735 VanDerWaalsContact O-CG 3.31Å; L731-N735 PolarHBondContact O-N 2.67Å; L731-N735 PolarHBondContact O-ND2 2.74Å; V732-N735 PolarHBondContact O-N 3.34Å |
| 736 | E | 31.8 | Very low | 32.7 | Very low | 125 Ų | 125 | 105.5 Ų | 105.5 | 58% | 0.584 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.5 | 9.2 | 168.1 | -62.1 | -161.8 | 153 | 0 | 0 | 113.4 | K734 H1710 | K734-E736 PolarHBondContact O-N 2.99Å; E736-H1710 IonicContact OE1-CE1 3.85Å; E736-H1710 IonicContact OE1-ND1 3.73Å; E736-H1710 PolarHBondContact OE1-ND1 3.28Å |
| 737 | S | 27.1 | Very low | 32.7 | Very low | 96 Ų | 96 | 103.3 Ų | 103.3 | 67% | 0.671 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.1 | -26.8 | 179.9 | -61 | 0 | 0 | 0 | 0 | 115.2 | L739 | S737-L739 PolarHBondContact O-N 3.12Š|
| 738 | E | 28.4 | Very low | 32.5 | Very low | 152 Ų | 152 | 106.5 Ų | 106.5 | 71% | 0.71 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | 47.4 | -175 | -66.3 | -178.5 | 176.7 | 0 | 0 | 113.1 | | |
| 739 | L | 31 | Very low | 32.3 | Very low | 97 Ų | 97 | 110.7 Ų | 110.7 | 51% | 0.508 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -130.1 | 23.7 | 166.6 | -106.1 | 165.5 | 0 | 0 | 0 | 112.2 | S737 A1757 | S737-L739 PolarHBondContact O-N 3.12Å; L739-A1757 VanDerWaalsContact CD2-O 3.22Å; L739-A1757 WeakPolarHBondContact CD2-O 3.17Å |
| 740 | I | 29.2 | Very low | 32.2 | Very low | 102 Ų | 102 | 108 Ų | 108 | 52% | 0.523 | 60% | 0.6 | S | S | . | * | | | trans | -132.2 | 88.6 | 170.6 | -53.2 | -178.5 | 0 | 0 | 0 | 107.5 | D742 P1761 | I740-D742 PolarHBondContact O-N 2.97Å; I740-P1761 HydrophobicContact CD1-CB 4.09Å; I740-P1761 HydrophobicContact CD1-CG 3.87Å; I740-P1761 HydrophobicContact CG1-CB 3.81Å; I740-P1761 HydrophobicContact CG1-CG 3.75Å |
| 741 | G | 26.5 | Very low | 32.1 | Very low | 71 Ų | 71 | 110.1 Ų | 110.1 | 73% | 0.732 | 61% | 0.61 | S | S | * | * | | | trans | -85 | 95.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 742 | D | 31.2 | Very low | 31.9 | Very low | 92 Ų | 92 | 112.6 Ų | 112.6 | 49% | 0.492 | 63% | 0.628 | S | S | . | * | | | trans | -92 | 134.8 | -177.9 | -138.7 | -14.5 | 0 | 0 | 0 | 112.2 | I740 I796 P799 | I740-D742 PolarHBondContact O-N 2.97Å; D742-I796 WeakPolarHBondContact O-CB 3.46Å; D742-I796 VanDerWaalsContact O-CD1 3.26Å; D742-I796 WeakPolarHBondContact O-CD1 3.29Å; D742-I796 VanDerWaalsContact O-CG1 3.27Å; D742-I796 WeakPolarHBondContact O-CG1 3.1Å; D742-P799 WeakPolarHBondContact OD1-CD 3.08Å; D742-P799 VanDerWaalsContact OD2-CD 3.3Å; D742-P799 WeakPolarHBondContact OD2-CD 3.36Å; D742-P799 VanDerWaalsContact OD2-CG 3.31Å; D742-P799 WeakPolarHBondContact OD2-CG 2.95Å |
| 743 | R | 31 | Very low | 31.9 | Very low | 208 Ų | 208 | 113.8 Ų | 113.8 | 79% | 0.785 | 65% | 0.649 | S | S | * | * | | | trans | -90.1 | 146.9 | -151.7 | -170.4 | -159.7 | -152.3 | 152 | 9.9 | 115.1 | E797 | R743-E797 CarbonylContact C-O 3Å; R743-E797 CarbonylContact O-C 3.54Å |
| 744 | G | 30.1 | Very low | 32.1 | Very low | 4 Ų | 4 | 116 Ų | 116 | 4% | 0.041 | 64% | 0.644 | C | S | . | * | | | trans | -174.3 | 111.7 | 155.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | I796 E797 | G744-I796 VanDerWaalsContact N-CB 3.27Å; G744-I796 CarbonylContact O-C 3.38Å; G744-I796 WeakPolarHBondContact O-CA 3.4Å; G744-E797 VanDerWaalsContact CA-N 3.25Å; G744-E797 WeakPolarHBondContact CA-O 3.33Å; G744-E797 PolarHBondContact O-N 2.9Å |
| 745 | E | 29.5 | Very low | 32.3 | Very low | 170 Ų | 170 | 115 Ų | 115 | 79% | 0.794 | 64% | 0.64 | S | S | * | * | | | trans | 61.5 | 147.8 | 139.7 | -42.9 | -151.7 | 160.8 | 0 | 0 | 122.9 | | |
| 746 | K | 32.1 | Very low | 32.7 | Very low | 148 Ų | 148 | 113 Ų | 113 | 64% | 0.643 | 65% | 0.645 | S | S | * | * | | | trans | -129.4 | 150.4 | -176.3 | 164 | -179.1 | 173.7 | 176.6 | 0 | 109.5 | D749 | K746-D749 IonicContact NZ-OD2 3.54Å; K746-D749 PolarHBondContact NZ-OD2 3.15Å |
| 747 | G | 35.6 | Very low | 32.7 | Very low | 62 Ų | 62 | 113.3 Ų | 113.3 | 64% | 0.639 | 66% | 0.661 | S | S | * | * | | | trans | 170 | 148.3 | 148.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 748 | D | 34.9 | Very low | 32.9 | Very low | 144 Ų | 144 | 120.9 Ų | 120.9 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | | | cis | -157.6 | 170 | -16.1 | -94.2 | -34.9 | 0 | 0 | 0 | 108.7 | | |
| 749 | D | 37.8 | Very low | 33.3 | Very low | 141 Ų | 141 | 117.3 Ų | 117.3 | 75% | 0.754 | 68% | 0.679 | S | S | * | * | | | trans | -93.2 | 164.5 | -165.3 | -66.3 | -74.4 | 0 | 0 | 0 | 116.7 | K746 | K746-D749 IonicContact NZ-OD2 3.54Å; K746-D749 PolarHBondContact NZ-OD2 3.15Å |
| 750 | G | 36.1 | Very low | 33.3 | Very low | 77 Ų | 77 | 121 Ų | 121 | 79% | 0.794 | 70% | 0.697 | S | S | * | * | | | trans | 100.2 | 144.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 751 | E | 35.6 | Very low | 33.7 | Very low | 179 Ų | 179 | 124.3 Ų | 124.3 | 84% | 0.836 | 72% | 0.716 | S | S | * | * | | | cis | -162.9 | 177.4 | 7.7 | -109 | -141.5 | 115.3 | 0 | 0 | 109.1 | | |
| 752 | V | 36.7 | Very low | 34.1 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 75% | 0.752 | 72% | 0.717 | S | S | * | * | | | | -169.6 | 141.7 | -53.3 | 131.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 753 | G | 36.6 | Very low | 34.2 | Very low | 69 Ų | 69 | 132 Ų | 132 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | | | trans | 63.9 | 171.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 754 | E | 36.4 | Very low | 34.3 | Very low | 136 Ų | 136 | 131.9 Ų | 131.9 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | | | cis | -158.5 | 155.1 | -10.5 | -67.5 | -153.9 | 133.9 | 0 | 0 | 107.3 | P782 | E754-P782 HydrophobicContact CB-CG 3.69Å; E754-P782 VanDerWaalsContact CD-CG 3.49Å; E754-P782 HydrophobicContact CG-CG 3.63Å; E754-P782 WeakPolarHBondContact OE1-CD 3.39Å; E754-P782 VanDerWaalsContact OE1-CG 3.28Å; E754-P782 WeakPolarHBondContact OE1-CG 3.42Å; E754-P782 VanDerWaalsContact OE2-CD 3.27Å; E754-P782 WeakPolarHBondContact OE2-CD 3.13Å |
| 755 | K | 31.6 | Very low | 34.5 | Very low | 108 Ų | 108 | 135 Ų | 135 | 47% | 0.47 | 78% | 0.777 | S | S | . | * | | | cis | -148.5 | 160.7 | -11.3 | -162 | 148.3 | -79.3 | 115.6 | 0 | 109.8 | P782 | K755-P782 HydrophobicContact CB-CB 4.26Å; K755-P782 HydrophobicContact CB-CG 3.16Å; K755-P782 HydrophobicContact CD-CB 2.29Å; K755-P782 HydrophobicContact CD-CG 2.3Å; K755-P782 WeakPolarHBondContact CE-O 3.4Å; K755-P782 HydrophobicContact CG-CB 3.06Å; K755-P782 HydrophobicContact CG-CG 2.73Å; K755-P782 PolarHBondContact NZ-O 2.88Å |
| 756 | G | 36.8 | Very low | 34.8 | Very low | 67 Ų | 67 | 135.5 Ų | 135.5 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | | | trans | -91.2 | 178.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 757 | S | 31.8 | Very low | 34.9 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 92% | 0.923 | 78% | 0.78 | S | S | * | * | | | trans | -174.2 | 162.5 | 134.3 | 44.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 758 | R | 33.2 | Very low | 34.8 | Very low | 255 Ų | 255 | 134.9 Ų | 134.9 | 96% | 0.962 | 78% | 0.782 | S | S | * | * | | | trans | -60.3 | 153.9 | -170.6 | -56 | 167.5 | -179.4 | 142.3 | -0.4 | 115 | | |
| 759 | G | 35 | Very low | 34.8 | Very low | 78 Ų | 78 | 136 Ų | 136 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -174.7 | 86.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 760 | I | 32.6 | Very low | 34.6 | Very low | 174 Ų | 174 | 135.3 Ų | 135.3 | 89% | 0.892 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 157.9 | 168.7 | 50.2 | 172.2 | 0 | 0 | 0 | 113.3 | | |
| 761 | D | 36.6 | Very low | 34.4 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 92% | 0.92 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 152.4 | -168.6 | -107.2 | -46.6 | 0 | 0 | 0 | 116.8 | | |
| 762 | G | 35.8 | Very low | 34.1 | Very low | 73 Ų | 73 | 132.4 Ų | 132.4 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 131.3 | -164.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 763 | R | 31.9 | Very low | 34.1 | Very low | 250 Ų | 250 | 132 Ų | 132 | 94% | 0.943 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 146.4 | 174.6 | -63.2 | 176 | 174.7 | 172.1 | -2.9 | 113.7 | | |
| 764 | K | 33.2 | Very low | 34 | Very low | 206 Ų | 206 | 134.6 Ų | 134.6 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 144.1 | 151.5 | -86.7 | 172.8 | 176.1 | 161.1 | 0 | 110.5 | | |
| 765 | G | 34.8 | Very low | 33.8 | Very low | 71 Ų | 71 | 137.8 Ų | 137.8 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | | | trans | -76.8 | -169.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 766 | E | 34.8 | Very low | 33.8 | Very low | 180 Ų | 180 | 144 Ų | 144 | 84% | 0.841 | 83% | 0.826 | S | S | * | * | | | cis | -156.8 | 162.8 | 11.7 | -75.5 | -163.2 | 111.6 | 0 | 0 | 109 | | |
| 767 | I | 34.5 | Very low | 33.7 | Very low | 131 Ų | 131 | 143.7 Ų | 143.7 | 67% | 0.672 | 82% | 0.822 | S | S | * | * | | | cis | -155 | 158.5 | -5.5 | -123.7 | 174.6 | 0 | 0 | 0 | 109.3 | Q769 | I767-Q769 HydrophobicContact CG2-CG 4.36Š|
| 768 | G | 34.6 | Very low | 33.9 | Very low | 65 Ų | 65 | 147 Ų | 147 | 67% | 0.67 | 82% | 0.822 | S | S | * | * | | | trans | 170.7 | 70.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 769 | Q | 33.5 | Very low | 34.1 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 78% | 0.78 | 82% | 0.817 | S | S | * | * | | | | 61.9 | 123.7 | 100.7 | -63.7 | -173.4 | 30.7 | 0 | 0 | 114.4 | I767 | I767-Q769 HydrophobicContact CG2-CG 4.36Š|
| 770 | T | 33.6 | Very low | 34.2 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | | | cis | -166.5 | 171.1 | 4.3 | 4.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 771 | A | 32.4 | Very low | 34.5 | Very low | 101 Ų | 101 | 139.8 Ų | 139.8 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | | | trans | 86.9 | 111.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 772 | A | 29.4 | Very low | 34.9 | Very low | 94 Ų | 94 | 134.3 Ų | 134.3 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | | | trans | -101.6 | -159.8 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 773 | P | 37.5 | Very low | 35.3 | Very low | 116 Ų | 116 | 134 Ų | 134 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | cis | -130.4 | 169.2 | -17.4 | 39.6 | -24.5 | 0 | 0 | 0 | 113.8 | | |
| 774 | S | 34.7 | Very low | 35.9 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | | | trans | -159.5 | 128.5 | 155.7 | -81.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 775 | E | 32.6 | Very low | 36.5 | Very low | 204 Ų | 204 | 126.1 Ų | 126.1 | 95% | 0.953 | 77% | 0.77 | S | S | * | * | | | trans | -95.5 | 97.7 | 178.8 | -63.8 | 172 | 139.6 | 0 | 0 | 110.5 | | |
| 776 | R | 31.5 | Very low | 36.9 | Very low | 239 Ų | 239 | 126 Ų | 126 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | | | trans | -162.3 | 130.5 | 160.8 | -179.1 | 164.4 | -68.8 | 179 | -2 | 111.2 | | |
| 777 | G | 33 | Very low | 36.9 | Very low | 59 Ų | 59 | 126.1 Ų | 126.1 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | | | trans | 24.3 | 121.9 | 156.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 778 | E | 37 | Very low | 37.4 | Very low | 201 Ų | 201 | 128.5 Ų | 128.5 | 94% | 0.939 | 78% | 0.775 | S | S | * | * | | | | -147.8 | 129 | 101.9 | -102.8 | 149.4 | -153.7 | 0 | 0 | 108.3 | | |
| 779 | T | 36.6 | Very low | 37.8 | Very low | 139 Ų | 139 | 128.3 Ų | 128.3 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | trans | -90 | 128.6 | -172.6 | -36.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 780 | G | 37.2 | Very low | 38 | Very low | 64 Ų | 64 | 127 Ų | 127 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | | | trans | -68.2 | 144.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 781 | L | 39.9 | Very low | 38.9 | Very low | 154 Ų | 154 | 125.6 Ų | 125.6 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | | | trans | -119.9 | 128.7 | 167 | -66.7 | 170.5 | 0 | 0 | 0 | 107.9 | | |
| 782 | P | 44.9 | Very low | 39.5 | Very low | 57 Ų | 57 | 123.8 Ų | 123.8 | 37% | 0.37 | 76% | 0.756 | S | S | . | * | | | trans | -64.9 | 170.7 | 170.2 | 0.4 | -1.3 | 0 | 0 | 0 | 116.5 | E754 K755 | E754-P782 HydrophobicContact CB-CG 3.69Å; E754-P782 VanDerWaalsContact CD-CG 3.49Å; E754-P782 HydrophobicContact CG-CG 3.63Å; E754-P782 WeakPolarHBondContact OE1-CD 3.39Å; E754-P782 VanDerWaalsContact OE1-CG 3.28Å; E754-P782 WeakPolarHBondContact OE1-CG 3.42Å; E754-P782 VanDerWaalsContact OE2-CD 3.27Å; E754-P782 WeakPolarHBondContact OE2-CD 3.13Å; K755-P782 HydrophobicContact CB-CB 4.26Å; K755-P782 HydrophobicContact CB-CG 3.16Å; K755-P782 HydrophobicContact CD-CB 2.29Å; K755-P782 HydrophobicContact CD-CG 2.3Å; K755-P782 WeakPolarHBondContact CE-O 3.4Å; K755-P782 HydrophobicContact CG-CB 3.06Å; K755-P782 HydrophobicContact CG-CG 2.73Å; K755-P782 PolarHBondContact NZ-O 2.88Å |
| 783 | G | 44.6 | Very low | 40 | Very low | 67 Ų | 67 | 125 Ų | 125 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | | | trans | 168.2 | 153.5 | 159.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 784 | P | 43.5 | Very low | 40.7 | Very low | 126 Ų | 126 | 123.6 Ų | 123.6 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | cis | -95.4 | 161.6 | -43.6 | 36.2 | -28.5 | 0 | 0 | 0 | 110.6 | | |
| 785 | D | 46.3 | Very low | 41 | Very low | 163 Ų | 163 | 121.2 Ų | 121.2 | 87% | 0.872 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 142.3 | 160.4 | -68.3 | -58.9 | 0 | 0 | 0 | 108.7 | | |
| 786 | G | 42.7 | Very low | 41.4 | Very low | 69 Ų | 69 | 116 Ų | 116 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 154.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | K788 | G786-K788 PolarHBondContact O-N 2.97Š|
| 787 | E | 35.4 | Very low | 42 | Very low | 183 Ų | 183 | 111.3 Ų | 111.3 | 86% | 0.855 | 71% | 0.707 | S | S | * | * | | | trans | -53.6 | 112.4 | -169.6 | -71.3 | 172.3 | 155.6 | 0 | 0 | 112.8 | G789 | E787-G789 PolarHBondContact O-N 2.04Š|
| 788 | K | 44.6 | Very low | 42.7 | Very low | 181 Ų | 181 | 110.7 Ų | 110.7 | 79% | 0.787 | 70% | 0.701 | S | S | * | * | | | trans | -83.6 | 87.3 | 172.2 | 176.1 | -154.9 | 169.5 | -156 | 0 | 106.5 | G786 | G786-K788 PolarHBondContact O-N 2.97Š|
| 789 | G | 43.1 | Very low | 43 | Very low | 61 Ų | 61 | 105 Ų | 105 | 63% | 0.629 | 68% | 0.681 | S | S | * | * | | | trans | -50.6 | 149.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | E787 | E787-G789 PolarHBondContact O-N 2.04Š|
| 790 | D | 37.2 | Very low | 43.4 | Very low | 139 Ų | 139 | 107.4 Ų | 107.4 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | | | trans | -57.9 | 134.6 | -163.2 | -68.8 | -85 | 0 | 0 | 0 | 113.8 | G792 | D790-G792 PolarHBondContact O-N 3Š|
| 791 | P | 52.4 | Low | 43.6 | Very low | 98 Ų | 98 | 107.8 Ų | 107.8 | 64% | 0.636 | 69% | 0.687 | S | S | * | * | | | trans | -61.2 | 113.4 | 164.9 | -15.9 | 29.8 | 0 | 0 | 0 | 108.4 | | |
| 792 | G | 46.5 | Very low | 43.7 | Very low | 63 Ų | 63 | 108.9 Ų | 108.9 | 65% | 0.649 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 141.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.6 | D790 | D790-G792 PolarHBondContact O-N 3Š|
| 793 | P | 39.3 | Very low | 43.5 | Very low | 121 Ų | 121 | 114.4 Ų | 114.4 | 79% | 0.786 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 140.2 | -166.8 | 19.9 | -32.7 | 0 | 0 | 0 | 111.9 | | |
| 794 | P | 51.4 | Low | 43.3 | Very low | 86 Ų | 86 | 114.2 Ų | 114.2 | 56% | 0.558 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 141.8 | 174.6 | -29.3 | 36.2 | 0 | 0 | 0 | 112.5 | I796 | P794-I796 PolarHBondContact O-N 2.98Š|
| 795 | G | 42.4 | Very low | 43 | Very low | 72 Ų | 72 | 116 Ų | 116 | 74% | 0.742 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 125.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E797 | G795-E797 PolarHBondContact O-N 3.29Š|
| 796 | I | 39.5 | Very low | 42.7 | Very low | 94 Ų | 94 | 113.4 Ų | 113.4 | 48% | 0.482 | 71% | 0.707 | S | S | . | * | | | trans | -63.7 | 114.2 | -171.1 | 38.2 | -178.5 | 0 | 0 | 0 | 113.2 | D742 G744 P794 G798 | D742-I796 WeakPolarHBondContact O-CB 3.46Å; D742-I796 VanDerWaalsContact O-CD1 3.26Å; D742-I796 WeakPolarHBondContact O-CD1 3.29Å; D742-I796 VanDerWaalsContact O-CG1 3.27Å; D742-I796 WeakPolarHBondContact O-CG1 3.1Å; G744-I796 VanDerWaalsContact N-CB 3.27Å; G744-I796 CarbonylContact O-C 3.38Å; G744-I796 WeakPolarHBondContact O-CA 3.4Å; P794-I796 PolarHBondContact O-N 2.98Å; I796-G798 PolarHBondContact O-N 3.5Å |
| 797 | E | 44.4 | Very low | 42.5 | Very low | 140 Ų | 140 | 113.2 Ų | 113.2 | 65% | 0.654 | 71% | 0.705 | S | S | * | * | | | trans | -65.2 | 83 | 175.4 | -67 | -161.4 | 140.5 | 0 | 0 | 112.6 | R743 G744 G795 | R743-E797 CarbonylContact C-O 3Å; R743-E797 CarbonylContact O-C 3.54Å; G744-E797 VanDerWaalsContact CA-N 3.25Å; G744-E797 WeakPolarHBondContact CA-O 3.33Å; G744-E797 PolarHBondContact O-N 2.9Å; G795-E797 PolarHBondContact O-N 3.29Å |
| 798 | G | 47.1 | Very low | 42.7 | Very low | 46 Ų | 46 | 114.4 Ų | 114.4 | 47% | 0.474 | 71% | 0.711 | S | S | . | * | P | Polyproline II helix | trans | -48.4 | 151.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | I796 | I796-G798 PolarHBondContact O-N 3.5Š|
| 799 | P | 43.2 | Very low | 42.3 | Very low | 82 Ų | 82 | 112 Ų | 112 | 53% | 0.532 | 71% | 0.711 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 137.6 | -154.3 | 19.5 | -33.3 | 0 | 0 | 0 | 115.4 | D742 G801 | D742-P799 WeakPolarHBondContact OD1-CD 3.08Å; D742-P799 VanDerWaalsContact OD2-CD 3.3Å; D742-P799 WeakPolarHBondContact OD2-CD 3.36Å; D742-P799 VanDerWaalsContact OD2-CG 3.31Å; D742-P799 WeakPolarHBondContact OD2-CG 2.95Å; P799-G801 PolarHBondContact O-N 2.96Å; P799-G801 VanDerWaalsContact O-N 3.13Å |
| 800 | Q | 46.1 | Very low | 42.1 | Very low | 189 Ų | 189 | 116.3 Ų | 116.3 | 88% | 0.883 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 116.8 | 175 | -66.9 | -175.4 | 7.8 | 0 | 0 | 111.2 | L802 | Q800-L802 PolarHBondContact O-N 3.35Š|
| 801 | G | 42 | Very low | 42.3 | Very low | 73 Ų | 73 | 116.4 Ų | 116.4 | 75% | 0.753 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 135.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P799 Q803 | P799-G801 PolarHBondContact O-N 2.96Å; P799-G801 VanDerWaalsContact O-N 3.13Å; G801-Q803 PolarHBondContact O-N 3.27Å |
| 802 | L | 40.5 | Very low | 41.5 | Very low | 177 Ų | 177 | 115 Ų | 115 | 93% | 0.927 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 137 | -174.9 | -75 | 170.3 | 0 | 0 | 0 | 112.9 | Q800 G804 | Q800-L802 PolarHBondContact O-N 3.35Å; L802-G804 PolarHBondContact O-N 2.87Å; L802-G804 VanDerWaalsContact O-N 3.15Å |
| 803 | Q | 41.3 | Very low | 40.9 | Very low | 172 Ų | 172 | 119.7 Ų | 119.7 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | | | trans | -60.2 | 110 | -173.7 | -176.9 | 178.1 | 10 | 0 | 0 | 112.9 | G801 | G801-Q803 PolarHBondContact O-N 3.27Š|
| 804 | G | 40.2 | Very low | 40.8 | Very low | 64 Ų | 64 | 122.9 Ų | 122.9 | 66% | 0.66 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 148.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L802 | L802-G804 PolarHBondContact O-N 2.87Å; L802-G804 VanDerWaalsContact O-N 3.15Å |
| 805 | D | 38.1 | Very low | 40.2 | Very low | 162 Ų | 162 | 121.7 Ų | 121.7 | 87% | 0.866 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 142 | -167.8 | -70.1 | -67.9 | 0 | 0 | 0 | 115.2 | G807 | D805-G807 PolarHBondContact O-N 3.46Š|
| 806 | P | 40.1 | Very low | 39.7 | Very low | 109 Ų | 109 | 125.4 Ų | 125.4 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 129.7 | 177.9 | -21 | 33 | 0 | 0 | 0 | 113.9 | | |
| 807 | G | 37.1 | Very low | 39.8 | Very low | 65 Ų | 65 | 127.5 Ų | 127.5 | 67% | 0.67 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 148 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D805 V809 | D805-G807 PolarHBondContact O-N 3.46Å; G807-V809 PolarHBondContact O-N 3.36Å |
| 808 | E | 39.7 | Very low | 39.3 | Very low | 209 Ų | 209 | 124.2 Ų | 124.2 | 98% | 0.977 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 130.1 | 172.8 | -67.3 | -173.1 | 128.4 | 0 | 0 | 111.6 | | |
| 809 | V | 37.7 | Very low | 38.7 | Very low | 130 Ų | 130 | 131 Ų | 131 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | | | trans | -112.6 | 169.5 | 175.8 | -174.9 | 0 | 0 | 0 | 0 | 109 | G807 | G807-V809 PolarHBondContact O-N 3.36Š|
| 810 | I | 38.2 | Very low | 38.3 | Very low | 151 Ų | 151 | 135.7 Ų | 135.7 | 77% | 0.774 | 80% | 0.795 | S | S | * | * | | | trans | 120.4 | 116.6 | 177.6 | -70.1 | 157.9 | 0 | 0 | 0 | 109.2 | | |
| 811 | D | 40.6 | Very low | 37.9 | Very low | 142 Ų | 142 | 129.8 Ų | 129.8 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | cis | -136.2 | 164.6 | -2.1 | -77.1 | -45.4 | 0 | 0 | 0 | 107.9 | | |
| 812 | G | 36.2 | Very low | 37.9 | Very low | 68 Ų | 68 | 132.4 Ų | 132.4 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | cis | 105.5 | 145.2 | 21.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 813 | I | 34.2 | Very low | 37.6 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | | | cis | -153.6 | 179.1 | -3.6 | -52.1 | 179.7 | 0 | 0 | 0 | 107.1 | | |
| 814 | E | 37.4 | Very low | 37.5 | Very low | 189 Ų | 189 | 125.4 Ų | 125.4 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | | | trans | 85.4 | 129.5 | 156.3 | -157.6 | 174.1 | -132.6 | 0 | 0 | 116 | | |
| 815 | G | 37.7 | Very low | 37.6 | Very low | 61 Ų | 61 | 128.7 Ų | 128.7 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | | | cis | 153.7 | 158.6 | -0.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 816 | D | 32.5 | Very low | 37.5 | Very low | 149 Ų | 149 | 127.9 Ų | 127.9 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | cis | -161.8 | -176.3 | -7.3 | -89.5 | -30.5 | 0 | 0 | 0 | 108.1 | | |
| 817 | V | 40.8 | Very low | 37.7 | Very low | 139 Ų | 139 | 126.2 Ų | 126.2 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | | | trans | 76.9 | 117.6 | 168 | -168.9 | 0 | 0 | 0 | 0 | 116 | | |
| 818 | G | 35.4 | Very low | 37.3 | Very low | 70 Ų | 70 | 132.1 Ų | 132.1 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | trans | -107.2 | 175.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 819 | E | 33.9 | Very low | 37.1 | Very low | 188 Ų | 188 | 129.7 Ų | 129.7 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | | | trans | -145.6 | 164.2 | 174.2 | -127.1 | 169.2 | -147.6 | 0 | 0 | 110.9 | | |
| 820 | Q | 33.7 | Very low | 36.8 | Very low | 182 Ų | 182 | 126.7 Ų | 126.7 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | | | trans | -42.2 | 148.5 | -171.8 | -72.6 | 168.2 | -72.5 | 0 | 0 | 116.5 | | |
| 821 | G | 39 | Very low | 36.7 | Very low | 64 Ų | 64 | 126.7 Ų | 126.7 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 144.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | E823 | G821-E823 PolarHBondContact O-N 3.43Š|
| 822 | P | 41.1 | Very low | 36.2 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 121.3 | -173.8 | 25.9 | -33.8 | 0 | 0 | 0 | 112 | G824 | P822-G824 PolarHBondContact O-N 3.03Š|
| 823 | E | 34.6 | Very low | 36.5 | Very low | 145 Ų | 145 | 129 Ų | 129 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 131.1 | 163.5 | -172.5 | -166.7 | 158.7 | 0 | 0 | 109.6 | G821 K826 | G821-E823 PolarHBondContact O-N 3.43Å; E823-K826 IonicContact OE1-NZ 2.66Å; E823-K826 PolarHBondContact OE1-NZ 3.21Å |
| 824 | G | 39 | Very low | 36.3 | Very low | 57 Ų | 57 | 127.4 Ų | 127.4 | 59% | 0.588 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 130.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P822 K826 | P822-G824 PolarHBondContact O-N 3.03Å; G824-K826 PolarHBondContact O-N 3.09Å; G824-K826 VanDerWaalsContact O-N 3.09Å |
| 825 | P | 43.1 | Very low | 36 | Very low | 132 Ų | 132 | 125.5 Ų | 125.5 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | | | trans | -65.6 | 114.8 | 178.9 | 25.9 | -33.1 | 0 | 0 | 0 | 110.6 | G827 | P825-G827 PolarHBondContact O-N 2.86Š|
| 826 | K | 35.9 | Very low | 35.7 | Very low | 146 Ų | 146 | 126 Ų | 126 | 64% | 0.635 | 76% | 0.761 | S | S | * | * | | | trans | -42.8 | 127 | 173.7 | -62.9 | 171.4 | 173.3 | 67.8 | 0 | 111.8 | E823 G824 F828 | E823-K826 IonicContact OE1-NZ 2.66Å; E823-K826 PolarHBondContact OE1-NZ 3.21Å; G824-K826 PolarHBondContact O-N 3.09Å; G824-K826 VanDerWaalsContact O-N 3.09Å; K826-F828 HydrophobicContact CB-CD2 4.44Å; K826-F828 HydrophobicContact CB-CE2 4.37Å |
| 827 | G | 43.1 | Very low | 35.5 | Very low | 73 Ų | 73 | 126.4 Ų | 126.4 | 75% | 0.753 | 76% | 0.763 | S | S | * | * | | | trans | -67.4 | 140.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P825 | P825-G827 PolarHBondContact O-N 2.86Š|
| 828 | F | 29.1 | Very low | 35.1 | Very low | 189 Ų | 189 | 124.9 Ų | 124.9 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | | | trans | -150 | 142 | 168.1 | -88.9 | -72.1 | 0 | 0 | 0 | 110.4 | K826 | K826-F828 HydrophobicContact CB-CD2 4.44Å; K826-F828 HydrophobicContact CB-CE2 4.37Å |
| 829 | K | 36.6 | Very low | 34.9 | Very low | 158 Ų | 158 | 124.6 Ų | 124.6 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | | | trans | 61.7 | 125.8 | -166.5 | -74.8 | -150.3 | 158.5 | -167.8 | 0 | 115.3 | E831 | K829-E831 VanDerWaalsContact CE-OE1 3.26Å; K829-E831 WeakPolarHBondContact CE-OE1 3.47Å; K829-E831 IonicContact NZ-OE1 2.64Å; K829-E831 PolarHBondContact NZ-OE1 2.89Å; K829-E831 IonicContact NZ-OE2 2.66Å; K829-E831 PolarHBondContact NZ-OE2 2.93Å |
| 830 | G | 31.5 | Very low | 35.1 | Very low | 68 Ų | 68 | 123.1 Ų | 123.1 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | | | cis | 78.3 | 92.8 | -9.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 831 | E | 35.1 | Very low | 35.3 | Very low | 151 Ų | 151 | 118.9 Ų | 118.9 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | trans | -165.4 | 93.1 | 150.1 | -117 | 162.1 | -151.3 | 0 | 0 | 108.9 | K829 | K829-E831 VanDerWaalsContact CE-OE1 3.26Å; K829-E831 WeakPolarHBondContact CE-OE1 3.47Å; K829-E831 IonicContact NZ-OE1 2.64Å; K829-E831 PolarHBondContact NZ-OE1 2.89Å; K829-E831 IonicContact NZ-OE2 2.66Å; K829-E831 PolarHBondContact NZ-OE2 2.93Å |
| 832 | E | 30 | Very low | 35.3 | Very low | 180 Ų | 180 | 121 Ų | 121 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | | | | 12.1 | 127.9 | 128 | -161.6 | 174 | -171.4 | 0 | 0 | 116.8 | | |
| 833 | G | 43.6 | Very low | 35.2 | Very low | 77 Ų | 77 | 122.2 Ų | 122.2 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | | | trans | -174.1 | 77.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 834 | D | 28.6 | Very low | 35.3 | Very low | 129 Ų | 129 | 125.1 Ų | 125.1 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | | | trans | -85.1 | 157.4 | -161.3 | -58.3 | -57.3 | 0 | 0 | 0 | 117.3 | | |
| 835 | V | 31.3 | Very low | 35.2 | Very low | 149 Ų | 149 | 128 Ų | 128 | 90% | 0.903 | 75% | 0.752 | S | S | * | * | | | trans | 53.6 | 111.9 | 145.2 | 172.9 | 0 | 0 | 0 | 0 | 118.1 | | |
| 836 | G | 30.8 | Very low | 34.7 | Very low | 72 Ų | 72 | 128.3 Ų | 128.3 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | | | trans | 115.8 | 164.3 | 138.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 837 | D | 28.6 | Very low | 34.7 | Very low | 156 Ų | 156 | 124.9 Ų | 124.9 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | | | trans | -34.3 | 160.8 | 154.8 | -81.6 | -61.7 | 0 | 0 | 0 | 115.9 | | |
| 838 | S | 32.1 | Very low | 34.4 | Very low | 107 Ų | 107 | 128 Ų | 128 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | | | cis | -179.6 | 165.5 | -20 | -105.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 839 | G | 31.5 | Very low | 34.9 | Very low | 64 Ų | 64 | 124.8 Ų | 124.8 | 66% | 0.66 | 74% | 0.739 | S | S | * | * | | | trans | 102.6 | 133.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 840 | D | 39.8 | Very low | 35.1 | Very low | 157 Ų | 157 | 120.7 Ų | 120.7 | 84% | 0.84 | 74% | 0.742 | S | S | * | * | S | Bend | cis | -119.5 | 125.4 | 4.1 | -87.8 | -47.5 | 0 | 0 | 0 | 110.8 | | |
| 841 | S | 37.6 | Very low | 35.4 | Very low | 93 Ų | 93 | 121.7 Ų | 121.7 | 65% | 0.65 | 74% | 0.736 | S | S | * | * | | | | 98.2 | 130.5 | 55.2 | -73.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 842 | P | 38.7 | Very low | 35.7 | Very low | 109 Ų | 109 | 119.7 Ų | 119.7 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | | | cis | -142.1 | 178.8 | -10.1 | 45 | -28.3 | 0 | 0 | 0 | 115.9 | | |
| 843 | E | 39.1 | Very low | 36 | Very low | 154 Ų | 154 | 114.5 Ų | 114.5 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | | | trans | 72.7 | 114.9 | 157 | -73 | -170.9 | 134.4 | 0 | 0 | 118 | | |
| 844 | R | 37 | Very low | 35.8 | Very low | 206 Ų | 206 | 120.1 Ų | 120.1 | 78% | 0.777 | 75% | 0.746 | S | S | * | * | | | | 96 | 143.6 | 65.6 | -90.3 | -168.7 | 165.7 | -171.4 | -10.6 | 110.8 | | |
| 845 | T | 36.6 | Very low | 36.6 | Very low | 117 Ų | 117 | 120 Ų | 120 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | | | cis | -160.4 | 164.8 | -4.5 | 4.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 846 | K | 32.4 | Very low | 36.8 | Very low | 139 Ų | 139 | 116.5 Ų | 116.5 | 60% | 0.604 | 75% | 0.746 | S | S | * | * | | | trans | -58.7 | 138.8 | 159.8 | -173.9 | 168.1 | 179 | 171.5 | 0 | 109.1 | L700 G701 E848 | L700-K846 PolarHBondContact O-NZ 3.01Å; G701-K846 PolarHBondContact O-NZ 3.17Å; K846-E848 VanDerWaalsContact CE-OE2 3.29Å; K846-E848 WeakPolarHBondContact CE-OE2 3.21Å |
| 847 | G | 35.1 | Very low | 37.2 | Very low | 74 Ų | 74 | 119.8 Ų | 119.8 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | | | trans | -177.6 | 63.6 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 848 | E | 37.1 | Very low | 37.7 | Very low | 140 Ų | 140 | 121.9 Ų | 121.9 | 65% | 0.654 | 76% | 0.756 | S | S | * | * | | | trans | -75.9 | 178.4 | 166.1 | -60.9 | 162.4 | 98.7 | 0 | 0 | 110.3 | K846 | K846-E848 VanDerWaalsContact CE-OE2 3.29Å; K846-E848 WeakPolarHBondContact CE-OE2 3.21Å |
| 849 | P | 40.5 | Very low | 37.7 | Very low | 120 Ų | 120 | 119.8 Ų | 119.8 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | | | cis | -128 | 175.8 | -5.9 | 25.1 | -2.4 | 0 | 0 | 0 | 114.3 | | |
| 850 | G | 39.5 | Very low | 37.9 | Very low | 72 Ų | 72 | 125.3 Ų | 125.3 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | | | trans | 177.5 | 89.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 851 | P | 37.6 | Very low | 37.7 | Very low | 89 Ų | 89 | 127.3 Ų | 127.3 | 58% | 0.578 | 77% | 0.771 | S | S | * | * | | | trans | -82 | 136.4 | -175.5 | 30.7 | -33.5 | 0 | 0 | 0 | 114.1 | K48 | K48-P851 HydrophobicContact CD-CG 4.22Š|
| 852 | A | 42.8 | Very low | 37.5 | Very low | 110 Ų | 110 | 126 Ų | 126 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | | | trans | 61.3 | 147.6 | 156.7 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 853 | G | 36.5 | Very low | 37.8 | Very low | 70 Ų | 70 | 128.3 Ų | 128.3 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | trans | 161.6 | 88.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | P855 | G853-P855 WeakPolarHBondContact O-CD 3.47Š|
| 854 | E | 38.5 | Very low | 37.6 | Very low | 196 Ų | 196 | 127.1 Ų | 127.1 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | | | trans | -75.8 | 130.6 | -173.8 | -62.7 | -169 | 136.3 | 0 | 0 | 113.5 | | |
| 855 | P | 44.9 | Very low | 37.4 | Very low | 126 Ų | 126 | 120.2 Ų | 120.2 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -93.8 | 107.7 | 160.3 | 0.1 | 21 | 0 | 0 | 0 | 109.5 | G853 | G853-P855 WeakPolarHBondContact O-CD 3.47Š|
| 856 | G | 35.3 | Very low | 37.6 | Very low | 76 Ų | 76 | 122.7 Ų | 122.7 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | | | trans | -69.8 | 158.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | E858 | G856-E858 PolarHBondContact O-N 3.41Š|
| 857 | T | 40.8 | Very low | 37.7 | Very low | 140 Ų | 140 | 122.4 Ų | 122.4 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | | | trans | -92 | 100.6 | -179.2 | 53.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 858 | E | 37.5 | Very low | 37.6 | Very low | 200 Ų | 200 | 122.1 Ų | 122.1 | 94% | 0.935 | 79% | 0.794 | S | S | * | * | | | trans | -51.6 | 135.5 | 140 | 175 | -176 | -128.2 | 0 | 0 | 109.3 | G856 | G856-E858 PolarHBondContact O-N 3.41Š|
| 859 | G | 33.8 | Very low | 37.8 | Very low | 64 Ų | 64 | 124.9 Ų | 124.9 | 66% | 0.66 | 81% | 0.807 | S | S | * | * | | | cis | 163.3 | 139.5 | -6.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 860 | D | 35.2 | Very low | 37.2 | Very low | 180 Ų | 180 | 129.6 Ų | 129.6 | 96% | 0.963 | 82% | 0.815 | S | S | * | * | | | trans | -123.1 | 110.3 | 177.6 | -86.6 | -45.4 | 0 | 0 | 0 | 110.8 | | |
| 861 | E | 34.9 | Very low | 36.7 | Very low | 199 Ų | 199 | 129.5 Ų | 129.5 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | | | trans | -109.6 | 145.5 | 170.8 | -166.3 | 179 | 176.6 | 0 | 0 | 109.5 | | |
| 862 | G | 33.9 | Very low | 37 | Very low | 66 Ų | 66 | 134.4 Ų | 134.4 | 68% | 0.68 | 83% | 0.829 | S | S | * | * | | | trans | -70.3 | -170.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 863 | D | 44.2 | Very low | 36.7 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 83% | 0.834 | 83% | 0.826 | S | S | * | * | | | cis | -155.8 | 173 | 4.6 | -106 | -29.5 | 0 | 0 | 0 | 108.4 | | |
| 864 | P | 34.5 | Very low | 36.3 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 84% | 0.838 | 82% | 0.824 | S | S | * | * | | | | -146 | 128.4 | 115.3 | 31.8 | -14.8 | 0 | 0 | 0 | 115.2 | | |
| 865 | G | 33.4 | Very low | 36.3 | Very low | 61 Ų | 61 | 130.7 Ų | 130.7 | 63% | 0.629 | 82% | 0.82 | S | S | * | * | | | trans | -87.1 | 154.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 866 | I | 42 | Very low | 35.8 | Very low | 169 Ų | 169 | 134 Ų | 134 | 87% | 0.867 | 83% | 0.825 | S | S | * | * | | | trans | 36.4 | 130.5 | 149.4 | 26.8 | 173.8 | 0 | 0 | 0 | 120.5 | | |
| 867 | P | 33.6 | Very low | 35.6 | Very low | 133 Ų | 133 | 134.9 Ų | 134.9 | 86% | 0.864 | 83% | 0.825 | S | S | * | * | | | | -140.7 | 179.3 | 71.1 | 37.6 | -20.8 | 0 | 0 | 0 | 113.7 | | |
| 868 | G | 32.1 | Very low | 35.6 | Very low | 69 Ų | 69 | 131.7 Ų | 131.7 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | | | cis | 178.3 | 166.9 | 1.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 869 | Q | 41.5 | Very low | 35.3 | Very low | 198 Ų | 198 | 131.4 Ų | 131.4 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | | | trans | -84 | 174.8 | -164.8 | -61.5 | 173.3 | -13 | 0 | 0 | 116.5 | | |
| 870 | K | 27.8 | Very low | 35 | Very low | 218 Ų | 218 | 136.1 Ų | 136.1 | 95% | 0.948 | 82% | 0.824 | S | S | * | * | | | trans | 89.2 | 134.3 | 156.4 | -156 | 173.5 | -172 | 168.3 | 0 | 116.5 | | |
| 871 | G | 29.1 | Very low | 35.3 | Very low | 70 Ų | 70 | 130.6 Ų | 130.6 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | | | cis | -176.1 | 178.7 | -2.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 872 | E | 45.3 | Very low | 35 | Very low | 193 Ų | 193 | 129.1 Ų | 129.1 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | | | trans | -75.4 | -174.7 | -177.4 | -50.1 | 176 | 111 | 0 | 0 | 113.2 | | |
| 873 | P | 36.7 | Very low | 34.8 | Very low | 129 Ų | 129 | 132.5 Ų | 132.5 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | | | cis | -143.2 | -173.1 | 5 | 44.3 | -24.5 | 0 | 0 | 0 | 117.8 | | |
| 874 | G | 28 | Very low | 34.3 | Very low | 67 Ų | 67 | 128.9 Ų | 128.9 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | | | trans | 115.5 | 112.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 875 | A | 36.9 | Very low | 34.1 | Very low | 101 Ų | 101 | 128.1 Ų | 128.1 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | | | | 71.6 | 140.9 | 77.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 876 | E | 35.1 | Very low | 34 | Very low | 195 Ų | 195 | 130.6 Ų | 130.6 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | | | cis | -140.1 | -171.2 | 21.7 | -49.8 | 173.3 | 127.3 | 0 | 0 | 110.5 | | |
| 877 | A | 32.2 | Very low | 33.4 | Very low | 96 Ų | 96 | 126 Ų | 126 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | | | cis | -161.5 | 150.4 | 10.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 878 | G | 39.9 | Very low | 33.1 | Very low | 73 Ų | 73 | 128.7 Ų | 128.7 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | | | trans | 98 | 145.4 | 150 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 879 | Q | 31.2 | Very low | 33.2 | Very low | 194 Ų | 194 | 132.9 Ų | 132.9 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | | | cis | -153 | 175.1 | -6.3 | -69.7 | -166 | -1.5 | 0 | 0 | 111.3 | | |
| 880 | Q | 27.6 | Very low | 32.7 | Very low | 163 Ų | 163 | 126.9 Ų | 126.9 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | | | trans | -70.4 | 152.8 | 160.1 | 177.5 | -175 | -11.4 | 0 | 0 | 110.6 | | |
| 881 | G | 41.2 | Very low | 33 | Very low | 64 Ų | 64 | 122.2 Ų | 122.2 | 66% | 0.66 | 79% | 0.786 | S | S | * | * | | | cis | 145.9 | -152.4 | -1.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 882 | E | 29.4 | Very low | 33.6 | Very low | 167 Ų | 167 | 124.4 Ų | 124.4 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | | | trans | 69.9 | 115.6 | -176.6 | -63.3 | -168 | 160.2 | 0 | 0 | 118 | | |
| 883 | T | 29.4 | Very low | 33.1 | Very low | 138 Ų | 138 | 118.4 Ų | 118.4 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | | | trans | 61.5 | 110.2 | 133.5 | -44.1 | 0 | 0 | 0 | 0 | 122.5 | | |
| 884 | G | 32.8 | Very low | 33.2 | Very low | 80 Ų | 80 | 118.3 Ų | 118.3 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | trans | 88.4 | 141.6 | 150.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 885 | S | 30.5 | Very low | 33.4 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | cis | -132.2 | 173.6 | 21.1 | 55.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 886 | S | 30.8 | Very low | 33.4 | Very low | 112 Ų | 112 | 123.1 Ų | 123.1 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | | | trans | -28.9 | 154.4 | 164 | 49.8 | 0 | 0 | 0 | 0 | 116.5 | | |
| 887 | G | 29.5 | Very low | 33.8 | Very low | 73 Ų | 73 | 122.4 Ų | 122.4 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | cis | 132.8 | 156.6 | 22.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 888 | E | 29 | Very low | 34.2 | Very low | 190 Ų | 190 | 123.9 Ų | 123.9 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | | | cis | -129.6 | 131.1 | 7.2 | -63.4 | -176.4 | 113.1 | 0 | 0 | 109.3 | | |
| 889 | K | 32.9 | Very low | 33.7 | Very low | 156 Ų | 156 | 123.8 Ų | 123.8 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | | | | 47.8 | 88.7 | 108.6 | -170.3 | 176.4 | 173.2 | -79.8 | 0 | 114.4 | D891 | K889-D891 WeakPolarHBondContact CE-OD1 3.42Å; K889-D891 IonicContact NZ-OD1 3.6Å; K889-D891 PolarHBondContact NZ-OD1 2.8Å; K889-D891 IonicContact NZ-OD2 2.84Å; K889-D891 PolarHBondContact NZ-OD2 2.88Å |
| 890 | G | 31.6 | Very low | 33.8 | Very low | 73 Ų | 73 | 120.8 Ų | 120.8 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 141.6 | 148.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 891 | D | 33.9 | Very low | 33.9 | Very low | 119 Ų | 119 | 122.9 Ų | 122.9 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 134.9 | 173.9 | -81.9 | -73.4 | 0 | 0 | 0 | 111.2 | K889 | K889-D891 WeakPolarHBondContact CE-OD1 3.42Å; K889-D891 IonicContact NZ-OD1 3.6Å; K889-D891 PolarHBondContact NZ-OD1 2.8Å; K889-D891 IonicContact NZ-OD2 2.84Å; K889-D891 PolarHBondContact NZ-OD2 2.88Å |
| 892 | P | 40.7 | Very low | 33.5 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 137.6 | 176 | -17.5 | 31.2 | 0 | 0 | 0 | 111.7 | | |
| 893 | G | 35.9 | Very low | 33.6 | Very low | 68 Ų | 68 | 124.3 Ų | 124.3 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 135.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 894 | P | 37.7 | Very low | 33.9 | Very low | 127 Ų | 127 | 122.5 Ų | 122.5 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 138.3 | -175.1 | 26.9 | -34 | 0 | 0 | 0 | 111.7 | | |
| 895 | K | 33.8 | Very low | 33.8 | Very low | 202 Ų | 202 | 123.7 Ų | 123.7 | 88% | 0.878 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -68 | 147.3 | 160.5 | -78 | -174.2 | 172.8 | -174.8 | 0 | 109.9 | | |
| 896 | G | 36.5 | Very low | 34 | Very low | 66 Ų | 66 | 123 Ų | 123 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 158.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 897 | L | 44 | Very low | 34.4 | Very low | 181 Ų | 181 | 125 Ų | 125 | 95% | 0.948 | 78% | 0.777 | S | S | * | * | | | trans | -38.5 | 131.2 | -174.4 | -58.1 | 167.7 | 0 | 0 | 0 | 116.4 | | |
| 898 | P | 38.9 | Very low | 34.5 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | -129.8 | 118.2 | 152.7 | 31.9 | -15.9 | 0 | 0 | 0 | 111.8 | | |
| 899 | G | 30.5 | Very low | 34.7 | Very low | 71 Ų | 71 | 129.4 Ų | 129.4 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | | | trans | -160.4 | 19.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 900 | P | 32.7 | Very low | 34.8 | Very low | 130 Ų | 130 | 127.7 Ų | 127.7 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | | | trans | -64.7 | 151.5 | 164.9 | 31.2 | -33.7 | 0 | 0 | 0 | 110.7 | | |
| 901 | K | 29.3 | Very low | 34.9 | Very low | 208 Ų | 208 | 126.9 Ų | 126.9 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | | | trans | -77.8 | 130.8 | -163 | -177 | -177 | -177.4 | 180 | 0 | 114.5 | | |
| 902 | G | 33.6 | Very low | 34.7 | Very low | 72 Ų | 72 | 128.6 Ų | 128.6 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | | | trans | 87.8 | 111.7 | 138.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 903 | E | 30.9 | Very low | 34.8 | Very low | 188 Ų | 188 | 132.1 Ų | 132.1 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | | | trans | -58.8 | 171.2 | 155.4 | -72.1 | -175.5 | 158.9 | 0 | 0 | 113.8 | | |
| 904 | P | 36.7 | Very low | 34.9 | Very low | 101 Ų | 101 | 131.9 Ų | 131.9 | 66% | 0.656 | 79% | 0.792 | S | S | * | * | | | cis | -142.8 | 167.4 | -27.6 | 34.6 | -15.6 | 0 | 0 | 0 | 116.6 | | |
| 905 | S | 31.1 | Very low | 35.2 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | trans | 68.1 | 136 | 141.1 | 63.4 | 0 | 0 | 0 | 0 | 124.4 | | |
| 906 | S | 33 | Very low | 35.2 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | | | trans | 73.8 | 94.9 | 149.7 | 53.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 907 | D | 40.6 | Very low | 34.9 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | | | | 39.9 | 103.6 | 125.8 | -49.4 | -8.3 | 0 | 0 | 0 | 120.3 | | |
| 908 | M | 31 | Very low | 34.9 | Very low | 174 Ų | 174 | 131.5 Ų | 131.5 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | | | | 173.2 | 150.3 | 112.3 | -92.7 | -178.4 | 68.9 | 0 | 0 | 112.6 | | |
| 909 | E | 33.6 | Very low | 34.9 | Very low | 181 Ų | 181 | 131.2 Ų | 131.2 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | trans | 65.8 | 124.2 | -178.9 | -54.8 | -172.1 | 147 | 0 | 0 | 114.2 | | |
| 910 | S | 34.1 | Very low | 35 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | | | cis | 88.4 | 131.6 | 35.7 | -161.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 911 | G | 34.1 | Very low | 35 | Very low | 57 Ų | 57 | 132.5 Ų | 132.5 | 59% | 0.588 | 78% | 0.779 | S | S | * | * | | | trans | 114.8 | 83.9 | -162.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 912 | D | 29.9 | Very low | 35.4 | Very low | 154 Ų | 154 | 131.6 Ų | 131.6 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | | 66.9 | 132.4 | 72.5 | -51.8 | -40.1 | 0 | 0 | 0 | 110.7 | | |
| 913 | E | 42.3 | Very low | 35.3 | Very low | 191 Ų | 191 | 130.9 Ų | 130.9 | 89% | 0.893 | 77% | 0.773 | S | S | * | * | | | cis | -148.1 | 158 | 23 | -139.2 | 176.1 | -176.8 | 0 | 0 | 111.1 | | |
| 914 | G | 38.3 | Very low | 35.5 | Very low | 62 Ų | 62 | 124.5 Ų | 124.5 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | | | trans | -129.4 | -172.6 | 150.9 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 915 | P | 44.7 | Very low | 35.5 | Very low | 131 Ų | 131 | 125.3 Ų | 125.3 | 85% | 0.851 | 74% | 0.744 | S | S | * | * | | | cis | -120.9 | -173.9 | -9.5 | 41.8 | -29.5 | 0 | 0 | 0 | 111.3 | | |
| 916 | K | 34.3 | Very low | 35.5 | Very low | 195 Ų | 195 | 123.2 Ų | 123.2 | 85% | 0.848 | 74% | 0.738 | S | S | * | * | | | trans | -148.7 | 133.7 | 142.6 | -145 | -175.2 | 177.7 | -172 | 0 | 112.4 | | |
| 917 | G | 30.3 | Very low | 35.3 | Very low | 62 Ų | 62 | 127.6 Ų | 127.6 | 64% | 0.639 | 75% | 0.748 | S | S | * | * | | | trans | -82.9 | -176 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 918 | E | 42.8 | Very low | 34.9 | Very low | 181 Ų | 181 | 130.4 Ų | 130.4 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | | | trans | -52 | 158.4 | -175 | -54.3 | 172.3 | 145.9 | 0 | 0 | 114.3 | | |
| 919 | P | 38.9 | Very low | 34.8 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | | | | -117.8 | 160.7 | 82.9 | -2.2 | 23 | 0 | 0 | 0 | 113.3 | | |
| 920 | G | 32.3 | Very low | 34.5 | Very low | 56 Ų | 56 | 120.6 Ų | 120.6 | 58% | 0.577 | 75% | 0.745 | S | S | * | * | | | cis | 111 | 92.6 | -0.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 921 | L | 33.3 | Very low | 34.2 | Very low | 172 Ų | 172 | 122.5 Ų | 122.5 | 90% | 0.901 | 75% | 0.752 | S | S | * | * | | | trans | 62.9 | 103.1 | 160.8 | -58.4 | 177.5 | 0 | 0 | 0 | 120.2 | | |
| 922 | M | 37.4 | Very low | 34 | Very low | 188 Ų | 188 | 123.3 Ų | 123.3 | 93% | 0.926 | 76% | 0.76 | S | S | * | * | | | | -146.1 | 125.7 | 123.1 | -141.8 | 160.2 | -70 | 0 | 0 | 104.4 | | |
| 923 | G | 31.1 | Very low | 33.8 | Very low | 57 Ų | 57 | 123.7 Ų | 123.7 | 59% | 0.588 | 76% | 0.762 | S | S | * | * | | | | 90.8 | 117.8 | 55.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 924 | S | 36 | Very low | 33.2 | Very low | 55 Ų | 55 | 121 Ų | 121 | 39% | 0.385 | 76% | 0.758 | S | S | . | * | | | cis | -173.7 | 145.8 | 35.9 | 46.9 | 0 | 0 | 0 | 0 | 110.3 | E70 G71 P72 | E70-S924 CarbonylContact O-C 3.53Å; E70-S924 WeakPolarHBondContact O-CA 3.34Å; E70-S924 WeakPolarHBondContact O-CB 3.38Å; G71-S924 VanDerWaalsContact C-OG 3.28Å; G71-S924 PolarHBondContact O-OG 2.81Å; P72-S924 WeakPolarHBondContact CD-O 3.42Å; P72-S924 VanDerWaalsContact CG-O 3.29Å; P72-S924 WeakPolarHBondContact CG-O 3.46Å |
| 925 | E | 35.5 | Very low | 32.5 | Very low | 118 Ų | 118 | 122.8 Ų | 122.8 | 55% | 0.551 | 77% | 0.767 | S | S | * | * | | | trans | 19.6 | 173.9 | 179.6 | -64.2 | 159.7 | -153.8 | 0 | 0 | 120.3 | E70 G71 P72 | E70-E925 WeakPolarHBondContact CA-OE1 3.32Å; E70-E925 PolarHBondContact O-N 2.86Å; E70-E925 VanDerWaalsContact O-N 3.08Å; G71-E925 WeakPolarHBondContact CA-OE1 3.06Å; G71-E925 WeakPolarHBondContact CA-OE2 3.24Å; G71-E925 PolarHBondContact N-OE1 3.23Å; P72-E925 VanDerWaalsContact CD-CB 3.47Å |
| 926 | G | 31.7 | Very low | 31.6 | Very low | 59 Ų | 59 | 123.1 Ų | 123.1 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | | | cis | 143.6 | 137.8 | -20.5 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 927 | E | 29.6 | Very low | 31.1 | Very low | 193 Ų | 193 | 117.3 Ų | 117.3 | 90% | 0.902 | 74% | 0.74 | S | S | * | * | | | trans | 50 | 90.7 | 141 | -55.9 | -171 | 152.4 | 0 | 0 | 121.2 | | |
| 928 | K | 31.2 | Very low | 31 | Very low | 212 Ų | 212 | 122.8 Ų | 122.8 | 92% | 0.922 | 76% | 0.755 | S | S | * | * | | | trans | -171.7 | 153.1 | 132.4 | -101.4 | 161.2 | -175.3 | -178.1 | 0 | 109.7 | | |
| 929 | G | 29.6 | Very low | 30.2 | Very low | 75 Ų | 75 | 120.3 Ų | 120.3 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | | | cis | 136.2 | 117.9 | -12.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 930 | G | 28 | Very low | 29.7 | Very low | 75 Ų | 75 | 119.3 Ų | 119.3 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | | | trans | 98 | 117.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 931 | V | 28 | Very low | 29.6 | Very low | 159 Ų | 159 | 120 Ų | 120 | 96% | 0.964 | 75% | 0.752 | S | S | * | * | | | trans | 14.4 | 136.4 | 137.7 | -173.2 | 0 | 0 | 0 | 0 | 119.2 | | |
| 932 | G | 28.1 | Very low | 29.4 | Very low | 74 Ų | 74 | 119.6 Ų | 119.6 | 76% | 0.763 | 75% | 0.75 | S | S | * | * | | | trans | 171.8 | 68.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 933 | D | 25.9 | Very low | 29.2 | Very low | 161 Ų | 161 | 118.7 Ų | 118.7 | 86% | 0.861 | 75% | 0.748 | S | S | * | * | | | trans | -75.9 | 144.7 | 149.7 | -66.8 | -57.5 | 0 | 0 | 0 | 108.4 | | |
| 934 | V | 29.3 | Very low | 29.3 | Very low | 136 Ų | 136 | 118.9 Ų | 118.9 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | | | cis | -143.5 | 147.8 | -16.1 | -171.1 | 0 | 0 | 0 | 0 | 105.7 | | |
| 935 | A | 25.6 | Very low | 29 | Very low | 99 Ų | 99 | 124 Ų | 124 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -175.2 | 149.6 | 149.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 936 | E | 24.2 | Very low | 29.4 | Very low | 138 Ų | 138 | 124.7 Ų | 124.7 | 65% | 0.645 | 79% | 0.788 | S | S | * | * | | | trans | -73.3 | -172.9 | -176.8 | -55 | 174.9 | 103.5 | 0 | 0 | 117 | | |
| 937 | C | 25.1 | Very low | 29.7 | Very low | 73 Ų | 73 | 125.3 Ų | 125.3 | 49% | 0.493 | 80% | 0.795 | S | S | . | * | | | trans | 72.3 | 64.7 | 145.6 | -73.9 | 0 | 0 | 0 | 0 | 119.4 | E939 | C937-E939 PolarHBondContact O-N 3.33Š|
| 938 | N | 27.3 | Very low | 30.1 | Very low | 177 Ų | 177 | 121.8 Ų | 121.8 | 95% | 0.947 | 79% | 0.789 | S | S | * | * | | | trans | -66.1 | 90.7 | 146.8 | -78.5 | -70.3 | 0 | 0 | 0 | 110.7 | A940 | N938-A940 PolarHBondContact O-N 2.77Š|
| 939 | E | 25.8 | Very low | 30.3 | Very low | 128 Ų | 128 | 119.4 Ų | 119.4 | 60% | 0.598 | 79% | 0.786 | S | S | * | * | | | trans | -72.1 | 125 | 169.2 | -98.9 | -128 | 109.2 | 0 | 0 | 112 | C937 | C937-E939 PolarHBondContact O-N 3.33Š|
| 940 | A | 29.4 | Very low | 30.5 | Very low | 100 Ų | 100 | 119.7 Ų | 119.7 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 61.9 | 86.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | N938 | N938-A940 PolarHBondContact O-N 2.77Š|
| 941 | G | 29.9 | Very low | 30.5 | Very low | 71 Ų | 71 | 120.8 Ų | 120.8 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | | | trans | -159.6 | 66.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 942 | L | 28.7 | Very low | 30.9 | Very low | 163 Ų | 163 | 121.3 Ų | 121.3 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | trans | 68.1 | 114.8 | 165.2 | -60.2 | 169 | 0 | 0 | 0 | 116.1 | | |
| 943 | L | 33.2 | Very low | 31.4 | Very low | 170 Ų | 170 | 120.6 Ų | 120.6 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | | | | 66.5 | 114.2 | 86.1 | -171.2 | 93.2 | 0 | 0 | 0 | 114.1 | | |
| 944 | G | 32.8 | Very low | 31.9 | Very low | 61 Ų | 61 | 117 Ų | 117 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | | | cis | 163.3 | 140.9 | -6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 945 | D | 31 | Very low | 32.3 | Very low | 163 Ų | 163 | 118.1 Ų | 118.1 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | | | trans | 62.5 | 154.4 | 159.5 | -54.3 | -16.8 | 0 | 0 | 0 | 121.8 | | |
| 946 | P | 42.5 | Very low | 32.7 | Very low | 131 Ų | 131 | 116.5 Ų | 116.5 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | | | trans | -88 | 174.8 | -166.4 | -10.2 | 30.8 | 0 | 0 | 0 | 116.7 | | |
| 947 | G | 37.8 | Very low | 33 | Very low | 73 Ų | 73 | 116.8 Ų | 116.8 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | | | trans | -80.9 | -157 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 948 | P | 39 | Very low | 33.5 | Very low | 119 Ų | 119 | 119.3 Ų | 119.3 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | cis | -138.9 | 178.1 | 11.7 | 42.8 | -24 | 0 | 0 | 0 | 118.1 | | |
| 949 | D | 35.8 | Very low | 33.7 | Very low | 161 Ų | 161 | 113.6 Ų | 113.6 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | | | trans | 49.6 | 118.8 | 148.9 | -64.6 | -2 | 0 | 0 | 0 | 126.7 | | |
| 950 | G | 32.2 | Very low | 34.3 | Very low | 82 Ų | 82 | 114.9 Ų | 114.9 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | | | trans | 93.1 | 151.9 | 139.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 951 | A | 29.5 | Very low | 34.9 | Very low | 98 Ų | 98 | 117.8 Ų | 117.8 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | | | cis | -166.1 | 141.8 | -12 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 952 | M | 36.5 | Very low | 35.2 | Very low | 170 Ų | 170 | 117.8 Ų | 117.8 | 84% | 0.837 | 77% | 0.774 | S | S | * | * | | | trans | 57.2 | 125.4 | 141 | -156.9 | -172.4 | -57.6 | 0 | 0 | 126.4 | | |
| 953 | G | 36.9 | Very low | 35.4 | Very low | 59 Ų | 59 | 119.5 Ų | 119.5 | 61% | 0.608 | 78% | 0.777 | S | S | * | * | | | trans | 114.6 | 153.5 | 140.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 954 | T | 37.3 | Very low | 35.7 | Very low | 85 Ų | 85 | 120.7 Ų | 120.7 | 52% | 0.521 | 78% | 0.779 | S | S | . | * | | | cis | -168.5 | 152.4 | -7.8 | 42 | 0 | 0 | 0 | 0 | 114.5 | | |
| 955 | I | 37.1 | Very low | 35.8 | Very low | 160 Ų | 160 | 120.8 Ų | 120.8 | 82% | 0.821 | 78% | 0.779 | S | S | * | * | | | trans | 71.5 | 148.4 | 148.4 | -70.7 | 163.3 | 0 | 0 | 0 | 118.9 | | |
| 956 | G | 34 | Very low | 35.8 | Very low | 64 Ų | 64 | 121.4 Ų | 121.4 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | | | cis | -163.6 | -163.6 | 5.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 957 | N | 31.9 | Very low | 35.5 | Very low | 144 Ų | 144 | 123.1 Ų | 123.1 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | | | cis | -156.6 | 159.1 | 18.2 | -71.6 | -39.2 | 0 | 0 | 0 | 112.6 | | |
| 958 | S | 34.3 | Very low | 35.3 | Very low | 127 Ų | 127 | 123 Ų | 123 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | | | trans | 61.2 | 154.4 | 153.4 | -61.2 | 0 | 0 | 0 | 0 | 119.6 | | |
| 959 | G | 32.3 | Very low | 35.4 | Very low | 57 Ų | 57 | 124.9 Ų | 124.9 | 59% | 0.588 | 78% | 0.781 | S | S | * | * | | | cis | 164.9 | 173.2 | -1.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 960 | D | 38.5 | Very low | 35.5 | Very low | 154 Ų | 154 | 124.1 Ų | 124.1 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | | | trans | 67 | 151.2 | 172 | -38.9 | -15.2 | 0 | 0 | 0 | 114.5 | | |
| 961 | D | 42.3 | Very low | 35.7 | Very low | 162 Ų | 162 | 122.6 Ų | 122.6 | 87% | 0.866 | 77% | 0.766 | S | S | * | * | | | cis | -164.4 | 159.2 | -21.3 | -95.4 | -18.4 | 0 | 0 | 0 | 104.9 | | |
| 962 | G | 36.5 | Very low | 36.1 | Very low | 71 Ų | 71 | 124.1 Ų | 124.1 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | | | cis | -175 | 178.2 | 2.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 963 | E | 31.8 | Very low | 36.2 | Very low | 198 Ų | 198 | 124.2 Ų | 124.2 | 93% | 0.925 | 77% | 0.766 | S | S | * | * | | | trans | -91.2 | -167 | -161.9 | -52.5 | 170 | 127.4 | 0 | 0 | 116.4 | | |
| 964 | Q | 40.3 | Very low | 36.2 | Very low | 196 Ų | 196 | 124.8 Ų | 124.8 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | | | trans | 103.3 | 124.7 | 168.9 | -163.5 | 165.5 | 32.7 | 0 | 0 | 114.9 | | |
| 965 | G | 33.6 | Very low | 35.9 | Very low | 62 Ų | 62 | 128.9 Ų | 128.9 | 64% | 0.639 | 79% | 0.785 | S | S | * | * | | | cis | 108.3 | 141.9 | 16.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 966 | E | 32.7 | Very low | 36.2 | Very low | 177 Ų | 177 | 125.6 Ų | 125.6 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | | | cis | -167.9 | -174.6 | 1.6 | -142.2 | 164.9 | -170.2 | 0 | 0 | 108.6 | | |
| 967 | D | 35.9 | Very low | 36.2 | Very low | 167 Ų | 167 | 126 Ų | 126 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | | | trans | 63.9 | 148.7 | 172.6 | -50.8 | -33.4 | 0 | 0 | 0 | 118.1 | | |
| 968 | G | 33.7 | Very low | 36.6 | Very low | 69 Ų | 69 | 124.4 Ų | 124.4 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | cis | -173.7 | 166 | -3.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 969 | D | 39.9 | Very low | 36.6 | Very low | 160 Ų | 160 | 125.2 Ų | 125.2 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | | | cis | -156.3 | 159.1 | 28.3 | -85.9 | -46.2 | 0 | 0 | 0 | 112.4 | | |
| 970 | V | 39.3 | Very low | 36.9 | Very low | 145 Ų | 145 | 126 Ų | 126 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | | | trans | 16.4 | 131.2 | 143.8 | -168.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 971 | G | 35.7 | Very low | 36.8 | Very low | 49 Ų | 49 | 127.1 Ų | 127.1 | 51% | 0.505 | 78% | 0.778 | S | S | . | * | | | cis | 169.5 | -165.9 | 13.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 972 | P | 37.1 | Very low | 36.4 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | | | cis | -111.5 | 156.1 | 16 | 40.1 | -32.4 | 0 | 0 | 0 | 115.6 | | |
| 973 | E | 39.9 | Very low | 36.2 | Very low | 171 Ų | 171 | 129.5 Ų | 129.5 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | | | trans | -80.5 | 142.3 | 156.9 | 178.4 | -175.9 | 178.9 | 0 | 0 | 109.4 | | |
| 974 | G | 36.1 | Very low | 36.3 | Very low | 71 Ų | 71 | 129.5 Ų | 129.5 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | | | trans | 164.3 | 106.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 975 | E | 31.3 | Very low | 35.8 | Very low | 171 Ų | 171 | 127.4 Ų | 127.4 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | | | cis | -124.4 | 145.6 | -3.5 | -61.5 | -170.6 | 133.2 | 0 | 0 | 110.7 | | |
| 976 | P | 43.8 | Very low | 35.8 | Very low | 92 Ų | 92 | 127.7 Ų | 127.7 | 60% | 0.597 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 143.7 | 152.9 | -19.2 | 32.5 | 0 | 0 | 0 | 109.5 | | |
| 977 | G | 34.3 | Very low | 35.9 | Very low | 71 Ų | 71 | 127.9 Ų | 127.9 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 128.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D979 | G977-D979 PolarHBondContact O-N 3.04Š|
| 978 | P | 39.7 | Very low | 36.1 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 135 | 174.6 | 26.1 | -33.5 | 0 | 0 | 0 | 110.2 | | |
| 979 | D | 34.7 | Very low | 36.3 | Very low | 143 Ų | 143 | 125.4 Ų | 125.4 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 161.2 | 172.1 | -85.7 | -62.9 | 0 | 0 | 0 | 112.2 | G977 E981 | G977-D979 PolarHBondContact O-N 3.04Å; D979-E981 HydrophobicContact CB-CG 4.33Å; D979-E981 PolarHBondContact O-N 3.01Å |
| 980 | G | 37.8 | Very low | 36.3 | Very low | 75 Ų | 75 | 126 Ų | 126 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | trans | -69.7 | 57.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R982 | G980-R982 VanDerWaalsContact O-CB 3.29Å; G980-R982 WeakPolarHBondContact O-CB 3.46Å |
| 981 | E | 36.9 | Very low | 35.9 | Very low | 176 Ų | 176 | 126.9 Ų | 126.9 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | | | trans | -77.8 | 108.7 | 163.7 | -63.5 | -154.5 | 141.9 | 0 | 0 | 108.4 | D979 | D979-E981 HydrophobicContact CB-CG 4.33Å; D979-E981 PolarHBondContact O-N 3.01Å |
| 982 | R | 34.1 | Very low | 36.1 | Very low | 228 Ų | 228 | 128 Ų | 128 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | | | cis | 61.7 | 49.8 | 38.5 | -158.1 | -175.7 | -78.5 | -168.7 | -5 | 114.4 | G980 | G980-R982 VanDerWaalsContact O-CB 3.29Å; G980-R982 WeakPolarHBondContact O-CB 3.46Å |
| 983 | G | 31.4 | Very low | 36 | Very low | 56 Ų | 56 | 129.2 Ų | 129.2 | 58% | 0.577 | 76% | 0.764 | S | S | * | * | | | | 81.7 | 151.7 | 102.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | I985 | G983-I985 WeakPolarHBondContact O-CD1 3.04Š|
| 984 | E | 34.1 | Very low | 35.7 | Very low | 198 Ų | 198 | 130.6 Ų | 130.6 | 93% | 0.925 | 76% | 0.761 | S | S | * | * | | | trans | -105.1 | 123.1 | 144.4 | -63.4 | -168.4 | 136.3 | 0 | 0 | 106.2 | | |
| 985 | I | 30.8 | Very low | 35.9 | Very low | 151 Ų | 151 | 129.8 Ų | 129.8 | 77% | 0.774 | 75% | 0.753 | S | S | * | * | | | cis | 76.6 | 113 | 37.6 | -53 | 175.9 | 0 | 0 | 0 | 112.1 | G983 | G983-I985 WeakPolarHBondContact O-CD1 3.04Š|
| 986 | G | 32.3 | Very low | 36 | Very low | 68 Ų | 68 | 128.7 Ų | 128.7 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | | | trans | 136.9 | 79.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 987 | E | 34.9 | Very low | 35.4 | Very low | 182 Ų | 182 | 130.6 Ų | 130.6 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | | | cis | -124.6 | 143.3 | 22.8 | -74.2 | -165.6 | 118.6 | 0 | 0 | 112.3 | | |
| 988 | T | 40.1 | Very low | 35.5 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | | | | 60.3 | 118 | 78 | -36.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 989 | G | 38.2 | Very low | 35.1 | Very low | 67 Ų | 67 | 134.7 Ų | 134.7 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | | | trans | -151.8 | -34.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 990 | I | 40.4 | Very low | 35 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | | | trans | 58.1 | 149.3 | 173.9 | 64.8 | 167.2 | 0 | 0 | 0 | 120 | | |
| 991 | E | 30.1 | Very low | 34.6 | Very low | 164 Ų | 164 | 137.7 Ų | 137.7 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | | | trans | -80.7 | 154.3 | -178.1 | -58.8 | 175.1 | 94 | 0 | 0 | 114.9 | | |
| 992 | G | 40.4 | Very low | 35 | Very low | 71 Ų | 71 | 138.6 Ų | 138.6 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | | | trans | 173.8 | 100.4 | 156.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 993 | I | 34.8 | Very low | 35 | Very low | 158 Ų | 158 | 133.7 Ų | 133.7 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | S | Bend | cis | -140.9 | 130.6 | 8.1 | 33.7 | 173.2 | 0 | 0 | 0 | 108.5 | | |
| 994 | R | 34.4 | Very low | 35.6 | Very low | 199 Ų | 199 | 133.9 Ų | 133.9 | 75% | 0.751 | 78% | 0.778 | S | S | * | * | | | | 85.6 | 120.2 | 56.7 | -172.4 | -170.6 | -162.6 | 173.9 | 9.5 | 111.7 | | |
| 995 | G | 38.5 | Very low | 35.8 | Very low | 55 Ų | 55 | 131.7 Ų | 131.7 | 57% | 0.567 | 77% | 0.773 | S | S | * | * | | | cis | 154 | -144.3 | -0.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 996 | I | 35 | Very low | 36 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | | | trans | 61.6 | 151.5 | 164.1 | 66.6 | 162.9 | 0 | 0 | 0 | 117.7 | | |
| 997 | T | 30.7 | Very low | 36.4 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | | | cis | 169.5 | 138.4 | -19.5 | -81.4 | 0 | 0 | 0 | 0 | 104 | | |
| 998 | G | 37.1 | Very low | 36.5 | Very low | 66 Ų | 66 | 131.1 Ų | 131.1 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | | | trans | 144 | 96.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 999 | E | 30.7 | Very low | 36.7 | Very low | 203 Ų | 203 | 131.3 Ų | 131.3 | 95% | 0.949 | 78% | 0.776 | S | S | * | * | | | | 66.8 | 141.1 | 69.6 | -69.7 | -146.7 | 120.7 | 0 | 0 | 115.2 | | |
| 1000 | K | 31.7 | Very low | 36.5 | Very low | 214 Ų | 214 | 131.9 Ų | 131.9 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | | | trans | -91.8 | 139.4 | -162.7 | 168.1 | -176.6 | 178.7 | 174.1 | 0 | 112 | | |
| 1001 | G | 30.5 | Very low | 36.2 | Very low | 67 Ų | 67 | 131.5 Ų | 131.5 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | | | trans | 148.6 | 111.4 | 155.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1002 | E | 45.7 | Very low | 36.6 | Very low | 194 Ų | 194 | 130.7 Ų | 130.7 | 91% | 0.907 | 77% | 0.771 | S | S | * | * | | | trans | -59.9 | 147.2 | 150 | -46.8 | -178.8 | 121 | 0 | 0 | 108.6 | | |
| 1003 | P | 32.3 | Very low | 36.6 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | | | | -141.4 | 145.7 | 75 | 35.5 | -18.7 | 0 | 0 | 0 | 114.5 | | |
| 1004 | G | 45 | Very low | 36.9 | Very low | 61 Ų | 61 | 127.9 Ų | 127.9 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | | | trans | -78.2 | 166.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1005 | N | 38.3 | Very low | 36.9 | Very low | 152 Ų | 152 | 122.5 Ų | 122.5 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | | | | 174.5 | 159.6 | 123.3 | -96 | -61.2 | 0 | 0 | 0 | 112.1 | | |
| 1006 | I | 34.6 | Very low | 37.4 | Very low | 161 Ų | 161 | 123.3 Ų | 123.3 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | | | trans | 63.6 | 104.6 | 168.8 | -50.5 | 126.4 | 0 | 0 | 0 | 113.7 | | |
| 1007 | G | 41.3 | Very low | 37.7 | Very low | 71 Ų | 71 | 121.9 Ų | 121.9 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | | | cis | 95.1 | 120.1 | 5.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1008 | D | 36.8 | Very low | 37.8 | Very low | 157 Ų | 157 | 123.5 Ų | 123.5 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -121.2 | 134.1 | 163 | -110.4 | -41.3 | 0 | 0 | 0 | 107.9 | | |
| 1009 | V | 43.4 | Very low | 38.2 | Very low | 120 Ų | 120 | 124 Ų | 124 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | trans | 41.9 | 109 | 160.9 | -167.9 | 0 | 0 | 0 | 0 | 117 | E1011 | V1009-E1011 HydrophobicContact CG1-CB 4.38Å; V1009-E1011 HydrophobicContact CG1-CG 4.4Å |
| 1010 | G | 35.1 | Very low | 38.3 | Very low | 80 Ų | 80 | 122.9 Ų | 122.9 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | | | cis | 86.7 | 22.5 | 15.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1011 | E | 33.1 | Very low | 38.2 | Very low | 163 Ų | 163 | 119.3 Ų | 119.3 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | | | trans | -124.3 | 137.4 | 151.9 | -84.7 | -151.2 | -135.9 | 0 | 0 | 108.5 | V1009 | V1009-E1011 HydrophobicContact CG1-CB 4.38Å; V1009-E1011 HydrophobicContact CG1-CG 4.4Å |
| 1012 | K | 39.2 | Very low | 38.8 | Very low | 147 Ų | 147 | 119.2 Ų | 119.2 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | | | cis | -161.7 | 113.6 | -8.5 | -175.8 | -174.6 | -177.8 | -176.5 | 0 | 109.9 | S1014 | K1012-S1014 WeakPolarHBondContact CE-O 3.25Å; K1012-S1014 WeakPolarHBondContact CG-O 3.06Å |
| 1013 | G | 39.9 | Very low | 38.1 | Very low | 73 Ų | 73 | 117.5 Ų | 117.5 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -77.7 | 124.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1014 | S | 41.3 | Very low | 38 | Very low | 97 Ų | 97 | 118.6 Ų | 118.6 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | | | trans | 64.6 | 144 | -175.7 | 79.1 | 0 | 0 | 0 | 0 | 114.3 | K1012 | K1012-S1014 WeakPolarHBondContact CE-O 3.25Å; K1012-S1014 WeakPolarHBondContact CG-O 3.06Å |
| 1015 | P | 35.5 | Very low | 37.5 | Very low | 87 Ų | 87 | 118.3 Ų | 118.3 | 57% | 0.565 | 75% | 0.75 | S | S | * | * | | | cis | -128.4 | 142.6 | 34.9 | 17.8 | 7.3 | 0 | 0 | 0 | 115.8 | | |
| 1016 | G | 47.5 | Very low | 37.3 | Very low | 72 Ų | 72 | 116.7 Ų | 116.7 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | | | | -75.8 | 141 | 109.2 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 1017 | P | 42.3 | Very low | 37.1 | Very low | 117 Ų | 117 | 117.9 Ų | 117.9 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | | | | -139.5 | -152.8 | 66.7 | 42.9 | -27.4 | 0 | 0 | 0 | 112.3 | | |
| 1018 | E | 32.2 | Very low | 36.7 | Very low | 167 Ų | 167 | 117.8 Ų | 117.8 | 78% | 0.78 | 75% | 0.749 | S | S | * | * | | | trans | 68.9 | 74.3 | 165.8 | -154.5 | 152.3 | -118.2 | 0 | 0 | 114.6 | E1020 | E1018-E1020 HydrophobicContact CG-CG 4.4Å; E1018-E1020 PolarHBondContact O-N 2.7Å |
| 1019 | G | 45 | Very low | 36.6 | Very low | 75 Ų | 75 | 116.4 Ų | 116.4 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | | | trans | -65.8 | 115.4 | 140.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | T1021 | G1019-T1021 PolarHBondContact O-N 2.89Š|
| 1020 | E | 32.9 | Very low | 36.3 | Very low | 180 Ų | 180 | 119.9 Ų | 119.9 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 123.3 | 168.6 | -82.4 | -164.3 | 124.3 | 0 | 0 | 109.1 | E1018 G1022 | E1018-E1020 HydrophobicContact CG-CG 4.4Å; E1018-E1020 PolarHBondContact O-N 2.7Å; E1020-G1022 PolarHBondContact O-N 2.97Å |
| 1021 | T | 29.2 | Very low | 36.3 | Very low | 139 Ų | 139 | 118.5 Ų | 118.5 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 130.4 | 169.8 | -64.6 | 0 | 0 | 0 | 0 | 109.6 | G1019 | G1019-T1021 PolarHBondContact O-N 2.89Š|
| 1022 | G | 44.8 | Very low | 36.3 | Very low | 66 Ų | 66 | 113.4 Ų | 113.4 | 68% | 0.68 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -72 | 143.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1020 | E1020-G1022 PolarHBondContact O-N 2.97Š|
| 1023 | D | 29.6 | Very low | 35.9 | Very low | 157 Ų | 157 | 113.6 Ų | 113.6 | 84% | 0.84 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -72.9 | 136.8 | 148.8 | -86 | -22.2 | 0 | 0 | 0 | 108.6 | | |
| 1024 | I | 31.5 | Very low | 35.9 | Very low | 149 Ų | 149 | 113.8 Ų | 113.8 | 76% | 0.764 | 74% | 0.739 | S | S | * | * | | | cis | -159.1 | 164 | -12.6 | -131.4 | 168.1 | 0 | 0 | 0 | 107.9 | | |
| 1025 | G | 34 | Very low | 35.7 | Very low | 54 Ų | 54 | 113 Ų | 113 | 56% | 0.557 | 74% | 0.738 | S | S | * | * | | | trans | -61.6 | 165.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1026 | P | 33.4 | Very low | 35.8 | Very low | 119 Ų | 119 | 116.5 Ų | 116.5 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | | | | -90.3 | 143.2 | 52.7 | -18.7 | 35.9 | 0 | 0 | 0 | 113.5 | | |
| 1027 | Q | 31.3 | Very low | 35 | Very low | 185 Ų | 185 | 116.3 Ų | 116.3 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | | | | 57.8 | 88.2 | 61 | -177.9 | -168.3 | 14.1 | 0 | 0 | 109.5 | | |
| 1028 | G | 33.3 | Very low | 35.5 | Very low | 69 Ų | 69 | 114.6 Ų | 114.6 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | | | | 96.3 | 177.7 | 81.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 1029 | P | 34.2 | Very low | 35.7 | Very low | 129 Ų | 129 | 113.4 Ų | 113.4 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | | | cis | -113.8 | -179 | -4.9 | 41.4 | -30.1 | 0 | 0 | 0 | 113.7 | | |
| 1030 | Q | 36.1 | Very low | 35.9 | Very low | 192 Ų | 192 | 112.5 Ų | 112.5 | 90% | 0.897 | 73% | 0.731 | S | S | * | * | | | trans | -40.2 | 142.5 | 153.1 | 172.8 | -168.8 | 4.3 | 0 | 0 | 113.7 | | |
| 1031 | G | 35.2 | Very low | 35.9 | Very low | 52 Ų | 52 | 111.8 Ų | 111.8 | 54% | 0.536 | 73% | 0.733 | S | S | . | * | | | trans | -170.3 | 85.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | R1431 | G1031-R1431 VanDerWaalsContact C-NH1 3.27Å; G1031-R1431 PolarHBondContact O-NH1 3.45Å |
| 1032 | A | 33.6 | Very low | 36.3 | Very low | 56 Ų | 56 | 110.9 Ų | 110.9 | 46% | 0.463 | 73% | 0.73 | S | S | . | * | | | trans | -52 | 164 | -176.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | R1431 | A1032-R1431 PolarHBondContact O-NH1 3.26Å; A1032-R1431 PolarHBondContact O-NH2 2.87Å |
| 1033 | D | 31.3 | Very low | 36.1 | Very low | 151 Ų | 151 | 110.7 Ų | 110.7 | 81% | 0.807 | 73% | 0.727 | S | S | * | * | | | trans | 31.6 | 129.8 | 141.5 | -43.4 | -21.7 | 0 | 0 | 0 | 120.2 | | |
| 1034 | G | 39.9 | Very low | 36.2 | Very low | 77 Ų | 77 | 109 Ų | 109 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | | | | 120.3 | 30.1 | 87.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1035 | A | 37.7 | Very low | 36.1 | Very low | 80 Ų | 80 | 108.9 Ų | 108.9 | 66% | 0.661 | 73% | 0.732 | S | S | * | * | | | trans | -164.1 | 176 | 157.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1036 | Q | 36.3 | Very low | 36.5 | Very low | 160 Ų | 160 | 109.3 Ų | 109.3 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | | | trans | 44.5 | 95.1 | 133.1 | -178.8 | -146.6 | -80.2 | 0 | 0 | 116.1 | | |
| 1037 | G | 31.5 | Very low | 36.1 | Very low | 69 Ų | 69 | 111.7 Ų | 111.7 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | | | cis | 160.2 | -85.4 | 4.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 1038 | S | 51.7 | Low | 35.9 | Very low | 81 Ų | 81 | 110.4 Ų | 110.4 | 57% | 0.566 | 73% | 0.728 | S | S | * | * | | | trans | 33.2 | 98.2 | 134.6 | 63 | 0 | 0 | 0 | 0 | 119.5 | | |
| 1039 | T | 38.1 | Very low | 35.6 | Very low | 141 Ų | 141 | 112.4 Ų | 112.4 | 87% | 0.865 | 73% | 0.727 | S | S | * | * | | | trans | 63.3 | 119.9 | 132.9 | -49.6 | 0 | 0 | 0 | 0 | 117.7 | | |
| 1040 | G | 48 | Very low | 35.5 | Very low | 57 Ų | 57 | 115.4 Ų | 115.4 | 59% | 0.588 | 73% | 0.73 | S | S | * | * | | | cis | 103.4 | 127.2 | 15.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1041 | D | 33.5 | Very low | 35.3 | Very low | 165 Ų | 165 | 109.5 Ų | 109.5 | 88% | 0.882 | 72% | 0.721 | S | S | * | * | | | trans | 59.8 | 159.9 | -173.5 | -56.3 | -30.2 | 0 | 0 | 0 | 116.2 | | |
| 1042 | P | 37.9 | Very low | 35.5 | Very low | 120 Ų | 120 | 114 Ų | 114 | 78% | 0.779 | 73% | 0.727 | S | S | * | * | | | cis | -123 | -177.4 | -37.7 | 36 | -21.7 | 0 | 0 | 0 | 111.2 | | |
| 1043 | G | 39.8 | Very low | 35.6 | Very low | 61 Ų | 61 | 120.3 Ų | 120.3 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | | | trans | -71.5 | 158.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1044 | P | 32.2 | Very low | 36 | Very low | 123 Ų | 123 | 116.2 Ų | 116.2 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | | | trans | -76.9 | 123.2 | 169.6 | 31.1 | -32.1 | 0 | 0 | 0 | 111.4 | | |
| 1045 | T | 28.8 | Very low | 35.7 | Very low | 146 Ų | 146 | 118.9 Ų | 118.9 | 90% | 0.896 | 73% | 0.729 | S | S | * | * | | | | 31.6 | 113.1 | 127.6 | -40.1 | 0 | 0 | 0 | 0 | 117.4 | | |
| 1046 | G | 43.1 | Very low | 35.6 | Very low | 63 Ų | 63 | 122.6 Ų | 122.6 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | | | cis | -158.8 | 167.8 | -2.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1047 | E | 25 | Very low | 35.4 | Very low | 169 Ų | 169 | 118 Ų | 118 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | | | cis | 55.7 | 96.5 | 45 | -90.8 | -96.2 | 144.3 | 0 | 0 | 111.7 | | |
| 1048 | F | 25.8 | Very low | 35.9 | Very low | 157 Ų | 157 | 119.8 Ų | 119.8 | 69% | 0.689 | 73% | 0.731 | S | S | * | * | | | trans | 64.5 | 114.1 | 160.8 | -65.6 | -96.5 | 0 | 0 | 0 | 119.6 | | |
| 1049 | V | 27.6 | Very low | 35.1 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 68% | 0.679 | 75% | 0.745 | S | S | * | * | | | cis | 96.3 | 150.9 | 41.3 | 166.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1050 | E | 31.7 | Very low | 34.9 | Very low | 191 Ų | 191 | 120.6 Ų | 120.6 | 89% | 0.893 | 74% | 0.741 | S | S | * | * | | | trans | 70.7 | 135.3 | 165.8 | -88.8 | 174.4 | 131.7 | 0 | 0 | 120.3 | | |
| 1051 | G | 32.2 | Very low | 34.1 | Very low | 69 Ų | 69 | 123.8 Ų | 123.8 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | | | trans | 155.6 | 100.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 1052 | E | 39.5 | Very low | 34.5 | Very low | 145 Ų | 145 | 124.3 Ų | 124.3 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | | | cis | -155.1 | 148 | 0.6 | -76.5 | -164.6 | 126.3 | 0 | 0 | 111.5 | | |
| 1053 | R | 37.2 | Very low | 34.4 | Very low | 189 Ų | 189 | 122 Ų | 122 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | | | trans | 59.3 | 139.8 | 130.7 | -163.9 | 175.9 | -62.4 | 115.1 | 9.7 | 120 | | |
| 1054 | G | 38.1 | Very low | 33.9 | Very low | 65 Ų | 65 | 127.3 Ų | 127.3 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | | | cis | -167.3 | -171.6 | 5.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1055 | D | 34 | Very low | 34.2 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | | | cis | -150.4 | 145.4 | 24.8 | -90.8 | -31.9 | 0 | 0 | 0 | 114.5 | | |
| 1056 | I | 36.1 | Very low | 34.4 | Very low | 159 Ų | 159 | 127.5 Ų | 127.5 | 82% | 0.815 | 76% | 0.759 | S | S | * | * | | | trans | 74.1 | 112.7 | 146.7 | -62.9 | 163.6 | 0 | 0 | 0 | 119.6 | | |
| 1057 | G | 32.8 | Very low | 33.9 | Very low | 62 Ų | 62 | 133 Ų | 133 | 64% | 0.639 | 77% | 0.768 | S | S | * | * | | | trans | -97.3 | -136.7 | 152.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 1058 | P | 40.7 | Very low | 34.4 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | | | cis | -138.1 | -161 | -2.9 | 42 | -21.6 | 0 | 0 | 0 | 113.7 | | |
| 1059 | D | 34.8 | Very low | 34.9 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | | | trans | 63.8 | 158.9 | 164.7 | -51.1 | -23.7 | 0 | 0 | 0 | 116.9 | | |
| 1060 | G | 35.4 | Very low | 35.6 | Very low | 76 Ų | 76 | 133.6 Ų | 133.6 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | | | cis | 163.5 | 159.9 | -3.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1061 | S | 30.4 | Very low | 36.2 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | cis | -161 | 177.8 | -8.5 | 57.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1062 | Q | 41.2 | Very low | 36.2 | Very low | 176 Ų | 176 | 131 Ų | 131 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | | | trans | -60.3 | 148.3 | 176.2 | 176.9 | -176.2 | -9.2 | 0 | 0 | 114.1 | | |
| 1063 | G | 36.4 | Very low | 36.1 | Very low | 72 Ų | 72 | 128.8 Ų | 128.8 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | trans | -168 | 145.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 1064 | E | 28.5 | Very low | 35.9 | Very low | 171 Ų | 171 | 126.4 Ų | 126.4 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | | | trans | -112.7 | 152.5 | -170 | -63.2 | 176.3 | 127.7 | 0 | 0 | 114.1 | | |
| 1065 | Q | 39.1 | Very low | 35.8 | Very low | 196 Ų | 196 | 126.7 Ų | 126.7 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | | | trans | 35.9 | 125.4 | 147.6 | -162.8 | 177.7 | 17.1 | 0 | 0 | 121.5 | | |
| 1066 | G | 33.6 | Very low | 35.7 | Very low | 78 Ų | 78 | 128.3 Ų | 128.3 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | 177.2 | 128.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1067 | E | 31.2 | Very low | 35.8 | Very low | 179 Ų | 179 | 127.1 Ų | 127.1 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | | | trans | -97.2 | 161.8 | -168.1 | -56.9 | -166 | 115.9 | 0 | 0 | 117.2 | | |
| 1068 | K | 36.7 | Very low | 35.8 | Very low | 194 Ų | 194 | 127.4 Ų | 127.4 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | | | trans | 87.9 | 127.6 | 136.9 | -152.8 | 158.7 | -168.9 | 154 | 0 | 119.5 | | |
| 1069 | G | 34.7 | Very low | 35.6 | Very low | 78 Ų | 78 | 130.7 Ų | 130.7 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | -166.7 | 28.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 1070 | E | 44.3 | Very low | 35.7 | Very low | 178 Ų | 178 | 128.9 Ų | 128.9 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | | | trans | -71.5 | 162.2 | 152.2 | -74 | -159.2 | 133.3 | 0 | 0 | 109.9 | | |
| 1071 | P | 42.7 | Very low | 35.8 | Very low | 128 Ų | 128 | 128.3 Ų | 128.3 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | | | cis | -132.7 | -173.8 | 7.5 | 41.9 | -25.6 | 0 | 0 | 0 | 114.5 | | |
| 1072 | G | 33 | Very low | 36.1 | Very low | 78 Ų | 78 | 128.2 Ų | 128.2 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | 174.8 | 93.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1073 | A | 36.5 | Very low | 35.9 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | | | trans | -97.9 | -160.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 1074 | V | 33.4 | Very low | 35.9 | Very low | 138 Ų | 138 | 126.5 Ų | 126.5 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | | | trans | 85.7 | 129.4 | -174.7 | -172.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1075 | G | 36.5 | Very low | 36.4 | Very low | 72 Ų | 72 | 126.6 Ų | 126.6 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | | | cis | -179.1 | -162.1 | 0.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1076 | E | 31.4 | Very low | 36.1 | Very low | 166 Ų | 166 | 122.7 Ų | 122.7 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | cis | -169.8 | 158.8 | 0.3 | -154.8 | -175.5 | -146.4 | 0 | 0 | 109.3 | | |
| 1077 | V | 38.2 | Very low | 36 | Very low | 135 Ų | 135 | 126.5 Ų | 126.5 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | 65.9 | 146.4 | 168.7 | -172 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1078 | G | 32.5 | Very low | 36.4 | Very low | 68 Ų | 68 | 123.8 Ų | 123.8 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | cis | 175.6 | 168.4 | -1.3 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 1079 | E | 36.2 | Very low | 36.2 | Very low | 177 Ų | 177 | 117.8 Ų | 117.8 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | | | cis | -154.6 | 147 | 18.4 | -85.8 | -164.8 | 108.2 | 0 | 0 | 111.6 | | |
| 1080 | T | 37 | Very low | 36 | Very low | 124 Ų | 124 | 122.5 Ų | 122.5 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | | | | 60.9 | 116.8 | 128.6 | -52.8 | 0 | 0 | 0 | 0 | 122.1 | | |
| 1081 | G | 37.7 | Very low | 35.3 | Very low | 64 Ų | 64 | 122.6 Ų | 122.6 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | | | trans | -88.8 | 168 | 157.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1082 | P | 37.9 | Very low | 35.1 | Very low | 123 Ų | 123 | 120.3 Ų | 120.3 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | | | | -141 | -175.1 | 104 | 38.4 | -22 | 0 | 0 | 0 | 111.5 | | |
| 1083 | T | 36.3 | Very low | 35.1 | Very low | 126 Ų | 126 | 123.5 Ų | 123.5 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | cis | -159.4 | 143.8 | 22.5 | -24.6 | 0 | 0 | 0 | 0 | 110 | | |
| 1084 | A | 36.5 | Very low | 35.4 | Very low | 85 Ų | 85 | 125.2 Ų | 125.2 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | | | trans | 21.9 | 158.4 | 137.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 1085 | E | 37.9 | Very low | 35.6 | Very low | 174 Ų | 174 | 122.4 Ų | 122.4 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | | | cis | -143.5 | 154.6 | 25.9 | -66 | -175.3 | 130.9 | 0 | 0 | 115.4 | | |
| 1086 | T | 34.3 | Very low | 35.4 | Very low | 113 Ų | 113 | 128 Ų | 128 | 69% | 0.693 | 78% | 0.782 | S | S | * | * | | | trans | 32.4 | 129.3 | 147.7 | 57.6 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1087 | L | 30.2 | Very low | 36 | Very low | 158 Ų | 158 | 126 Ų | 126 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | | | | 64 | 151.9 | 60.6 | -63.1 | 169.1 | 0 | 0 | 0 | 115.3 | | |
| 1088 | P | 40.7 | Very low | 36 | Very low | 122 Ų | 122 | 123.2 Ų | 123.2 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | | | cis | -134.7 | -179.6 | -39.9 | 40.1 | -23.9 | 0 | 0 | 0 | 112.4 | | |
| 1089 | G | 31.2 | Very low | 36.1 | Very low | 69 Ų | 69 | 128.6 Ų | 128.6 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | trans | -102.9 | 160.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1090 | I | 32.1 | Very low | 36.3 | Very low | 177 Ų | 177 | 128 Ų | 128 | 91% | 0.908 | 79% | 0.791 | S | S | * | * | | | trans | -162.2 | 127.7 | 153.5 | 30.1 | 171.8 | 0 | 0 | 0 | 113.8 | | |
| 1091 | K | 29.6 | Very low | 36.4 | Very low | 179 Ų | 179 | 125.8 Ų | 125.8 | 78% | 0.778 | 79% | 0.793 | S | S | * | * | | | trans | 11.5 | 135.7 | 152.2 | -172.6 | 168.6 | 179.6 | 114.4 | 0 | 121.6 | E1093 | K1091-E1093 WeakPolarHBondContact CE-OE2 3.36Å; K1091-E1093 IonicContact NZ-OE2 2.69Å; K1091-E1093 PolarHBondContact NZ-OE2 2.71Å |
| 1092 | G | 38.1 | Very low | 36.1 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | trans | -166 | 75.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1093 | E | 33.5 | Very low | 35.9 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | | | trans | -92.7 | 173.5 | 163.2 | -55 | 164.2 | 99.2 | 0 | 0 | 110.2 | K1091 | K1091-E1093 WeakPolarHBondContact CE-OE2 3.36Å; K1091-E1093 IonicContact NZ-OE2 2.69Å; K1091-E1093 PolarHBondContact NZ-OE2 2.71Å |
| 1094 | P | 43.2 | Very low | 35.7 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | | | cis | -127.3 | -178.1 | -24.6 | 25.7 | -3.6 | 0 | 0 | 0 | 112.9 | | |
| 1095 | G | 35.6 | Very low | 36.1 | Very low | 80 Ų | 80 | 136.7 Ų | 136.7 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | | | trans | -172.9 | 106.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1096 | Q | 33.2 | Very low | 36.1 | Very low | 189 Ų | 189 | 134.6 Ų | 134.6 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | | | trans | -96.2 | -173.1 | 176.3 | -70.8 | 176.9 | -43.7 | 0 | 0 | 111.8 | | |
| 1097 | P | 43.9 | Very low | 36.4 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 81% | 0.805 | 82% | 0.824 | S | S | * | * | | | cis | -131.7 | -175.1 | -48.9 | 35.8 | -19.2 | 0 | 0 | 0 | 112.7 | | |
| 1098 | G | 38 | Very low | 36.6 | Very low | 77 Ų | 77 | 130.9 Ų | 130.9 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | | | trans | 171.5 | 123.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1099 | E | 35.8 | Very low | 36.6 | Very low | 180 Ų | 180 | 132.8 Ų | 132.8 | 84% | 0.841 | 83% | 0.826 | S | S | * | * | | | trans | -111.5 | 151.5 | -167.9 | -65.8 | 157.9 | 137.4 | 0 | 0 | 113.9 | | |
| 1100 | D | 39 | Very low | 37 | Very low | 164 Ų | 164 | 133 Ų | 133 | 88% | 0.877 | 83% | 0.829 | S | S | * | * | | | trans | 54.8 | 144 | 145.5 | -66.7 | 12.7 | 0 | 0 | 0 | 125.1 | | |
| 1101 | G | 38.9 | Very low | 37.1 | Very low | 78 Ų | 78 | 130.8 Ų | 130.8 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | | | trans | -172 | 122.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 1102 | Q | 32.7 | Very low | 37.3 | Very low | 187 Ų | 187 | 129.9 Ų | 129.9 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | | | trans | -91.4 | 166.4 | -170 | -64.8 | 177.1 | -35.7 | 0 | 0 | 115.1 | | |
| 1103 | L | 33 | Very low | 37 | Very low | 176 Ų | 176 | 129.8 Ų | 129.8 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | | | trans | 88.1 | 126.6 | 140.8 | -151.2 | 80.1 | 0 | 0 | 0 | 119.9 | | |
| 1104 | G | 31.8 | Very low | 37.4 | Very low | 73 Ų | 73 | 131.6 Ų | 131.6 | 75% | 0.753 | 83% | 0.83 | S | S | * | * | | | trans | 133 | 93.8 | 148.8 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 1105 | E | 46 | Very low | 37.4 | Very low | 192 Ų | 192 | 131.1 Ų | 131.1 | 90% | 0.897 | 83% | 0.827 | S | S | * | * | | | trans | -74.7 | 153.8 | 162.9 | -51.1 | -174 | 134.6 | 0 | 0 | 110.8 | | |
| 1106 | P | 38.3 | Very low | 38 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | | | | -143.7 | 162.3 | 81.8 | 37.2 | -20.2 | 0 | 0 | 0 | 115.2 | | |
| 1107 | G | 38.9 | Very low | 38.6 | Very low | 77 Ų | 77 | 127.4 Ų | 127.4 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | | | trans | -93.9 | 178.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1108 | S | 35.6 | Very low | 38.6 | Very low | 117 Ų | 117 | 130 Ų | 130 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -169.3 | 138.5 | 164.9 | 60.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1109 | D | 41.1 | Very low | 38.7 | Very low | 161 Ų | 161 | 129.3 Ų | 129.3 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | | | trans | -65.5 | 159.5 | 175.7 | -49.4 | -72.8 | 0 | 0 | 0 | 113.6 | | |
| 1110 | G | 39.2 | Very low | 38.8 | Very low | 75 Ų | 75 | 127.3 Ų | 127.3 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | trans | -167.9 | 41.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1111 | N | 34.4 | Very low | 38.8 | Very low | 130 Ų | 130 | 126.9 Ų | 126.9 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | | | trans | 7.6 | 134 | 162.9 | -53.5 | 24.4 | 0 | 0 | 0 | 120.5 | | |
| 1112 | D | 32.6 | Very low | 38.9 | Very low | 159 Ų | 159 | 126.9 Ų | 126.9 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | | | trans | 42.7 | 134.7 | 135 | -43.3 | -30.8 | 0 | 0 | 0 | 121.6 | | |
| 1113 | G | 32.4 | Very low | 39 | Very low | 78 Ų | 78 | 124.2 Ų | 124.2 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | 166.7 | 67.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 1114 | E | 41.5 | Very low | 39.1 | Very low | 184 Ų | 184 | 124 Ų | 124 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | -47.8 | 163.2 | 149.6 | -78.5 | -154.7 | 116.3 | 0 | 0 | 113.1 | | |
| 1115 | P | 44.4 | Very low | 39.4 | Very low | 124 Ų | 124 | 124.3 Ų | 124.3 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | | | cis | -151 | 176.5 | 38.7 | 40.8 | -18.4 | 0 | 0 | 0 | 119.2 | | |
| 1116 | G | 47.3 | Very low | 38.7 | Very low | 65 Ų | 65 | 123.2 Ų | 123.2 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | | | trans | -105.4 | -168 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1117 | P | 46 | Very low | 38.7 | Very low | 126 Ų | 126 | 122.7 Ų | 122.7 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -118 | 118.7 | 172.2 | 35.2 | -21.3 | 0 | 0 | 0 | 112 | | |
| 1118 | K | 43 | Very low | 38.6 | Very low | 177 Ų | 177 | 122.6 Ų | 122.6 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | | | | 71.3 | 119.1 | 57.5 | -176.3 | 164.2 | 176.2 | 136.1 | 0 | 116.5 | D1120 | K1118-D1120 WeakPolarHBondContact CE-OD1 3.4Å; K1118-D1120 IonicContact NZ-OD1 3.88Å |
| 1119 | G | 42.1 | Very low | 38.7 | Very low | 63 Ų | 63 | 123.4 Ų | 123.4 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | | | trans | 148.5 | 133.8 | 142 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1120 | D | 36.8 | Very low | 38.6 | Very low | 138 Ų | 138 | 125.9 Ų | 125.9 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | | | cis | -156.7 | 170.4 | -7.4 | -90.6 | -40.4 | 0 | 0 | 0 | 110.2 | K1118 | K1118-D1120 WeakPolarHBondContact CE-OD1 3.4Å; K1118-D1120 IonicContact NZ-OD1 3.88Å |
| 1121 | E | 38.7 | Very low | 38.6 | Very low | 155 Ų | 155 | 125.3 Ų | 125.3 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | | | trans | -77.9 | 163.3 | -167.9 | -61.9 | 155 | 80.8 | 0 | 0 | 116.6 | | |
| 1122 | G | 41.2 | Very low | 38.5 | Very low | 79 Ų | 79 | 125 Ų | 125 | 81% | 0.814 | 79% | 0.788 | S | S | * | * | | | trans | -141.2 | 14.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 1123 | L | 34.4 | Very low | 38.7 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 69% | 0.686 | 79% | 0.79 | S | S | * | * | | | trans | 32.3 | 118.1 | 154.6 | -60.4 | 173.1 | 0 | 0 | 0 | 121.7 | | |
| 1124 | M | 36.3 | Very low | 39.3 | Very low | 170 Ų | 170 | 128.7 Ų | 128.7 | 84% | 0.837 | 79% | 0.789 | S | S | * | * | | | | 59.8 | 123.9 | 120.3 | -163.2 | -176.1 | -68.4 | 0 | 0 | 120.6 | | |
| 1125 | G | 38.5 | Very low | 39.1 | Very low | 80 Ų | 80 | 125.6 Ų | 125.6 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | trans | -165.7 | 88.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1126 | E | 30.1 | Very low | 38.6 | Very low | 169 Ų | 169 | 131.5 Ų | 131.5 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | trans | -78.2 | 151.3 | -171.8 | -57.3 | 173.2 | 90.7 | 0 | 0 | 116 | | |
| 1127 | S | 38.4 | Very low | 37.8 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | trans | 49.5 | 107.6 | 136.2 | -65.6 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1128 | G | 37.4 | Very low | 37 | Very low | 74 Ų | 74 | 134.7 Ų | 134.7 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | | | trans | 117.8 | 167.2 | 135.5 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 1129 | P | 36.4 | Very low | 36.4 | Very low | 135 Ų | 135 | 133 Ų | 133 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | | | cis | -121.9 | 169.3 | 9.6 | 41.7 | -29.7 | 0 | 0 | 0 | 116.4 | | |
| 1130 | K | 39 | Very low | 36.1 | Very low | 213 Ų | 213 | 132.9 Ų | 132.9 | 93% | 0.926 | 79% | 0.791 | S | S | * | * | | | trans | -75.7 | 143.3 | 177.6 | 179.1 | 177.3 | -176.2 | 169.8 | 0 | 113.3 | | |
| 1131 | G | 39.6 | Very low | 36.2 | Very low | 62 Ų | 62 | 133.2 Ų | 133.2 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | | | trans | 127.6 | 87.6 | 140.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 1132 | S | 32.3 | Very low | 36 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | 66.4 | 136.5 | 138.4 | 76.9 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1133 | R | 37.3 | Very low | 35.6 | Very low | 239 Ų | 239 | 132.3 Ų | 132.3 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | | | | 154.4 | 111.5 | 112 | -167.9 | 166.5 | -172.7 | 154.7 | 2.3 | 110.5 | | |
| 1134 | G | 44.2 | Very low | 35.7 | Very low | 76 Ų | 76 | 130.6 Ų | 130.6 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | | | trans | -66.7 | 148.1 | -162.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1135 | P | 37.9 | Very low | 35.7 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | | -117.2 | 144.1 | 108.5 | -0.3 | 20.4 | 0 | 0 | 0 | 110.9 | | |
| 1136 | R | 33.8 | Very low | 35.6 | Very low | 248 Ų | 248 | 131.5 Ų | 131.5 | 94% | 0.936 | 80% | 0.801 | S | S | * | * | | | | 77 | 54.8 | 55.2 | -158.1 | -160.6 | 174 | 159.2 | 1.9 | 115 | | |
| 1137 | G | 31.3 | Very low | 35.9 | Very low | 73 Ų | 73 | 128.7 Ų | 128.7 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | | | trans | 61.1 | -155 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1138 | K | 27.9 | Very low | 35.9 | Very low | 185 Ų | 185 | 134.6 Ų | 134.6 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | cis | -168.2 | 150.4 | -5.8 | -138.7 | -175.2 | -173.8 | -173.5 | 0 | 106.7 | | |
| 1139 | I | 31.7 | Very low | 35.8 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 73% | 0.728 | 81% | 0.805 | S | S | * | * | | | trans | 68.3 | 136.1 | 164.4 | -62.9 | 157.2 | 0 | 0 | 0 | 112.5 | | |
| 1140 | G | 34.4 | Very low | 35.6 | Very low | 61 Ų | 61 | 133 Ų | 133 | 63% | 0.629 | 80% | 0.802 | S | S | * | * | | | cis | 99.8 | 155.1 | 21.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 1141 | N | 40.2 | Very low | 35.3 | Very low | 145 Ų | 145 | 132.6 Ų | 132.6 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | | | trans | 178.4 | 111.9 | 154.2 | -89.9 | -35.9 | 0 | 0 | 0 | 106.7 | | |
| 1142 | V | 33.3 | Very low | 34.9 | Very low | 144 Ų | 144 | 132.4 Ų | 132.4 | 87% | 0.873 | 80% | 0.799 | S | S | * | * | | | | 74.5 | 126.6 | 77.4 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1143 | G | 32.6 | Very low | 35.2 | Very low | 71 Ų | 71 | 133.8 Ų | 133.8 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | | | cis | -147.8 | -164.1 | 9.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1144 | A | 36.4 | Very low | 35 | Very low | 95 Ų | 95 | 129.2 Ų | 129.2 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | cis | -141 | 131.7 | 24.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1145 | E | 37.2 | Very low | 34.5 | Very low | 197 Ų | 197 | 129.1 Ų | 129.1 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | | | | 41.9 | 100.5 | 123.9 | -163.7 | 166.8 | -162.7 | 0 | 0 | 121 | | |
| 1146 | G | 37.2 | Very low | 34.6 | Very low | 71 Ų | 71 | 129 Ų | 129 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | | | | 121.2 | 150.3 | 117.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 1147 | S | 34.7 | Very low | 34.7 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | cis | -166.6 | 139 | -16.3 | 67.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1148 | R | 39.5 | Very low | 34.8 | Very low | 243 Ų | 243 | 126 Ų | 126 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | | | | 67.2 | 106.9 | 129.7 | -173.1 | -170.9 | -173 | 154 | 2.5 | 121 | | |
| 1149 | G | 35.2 | Very low | 35.2 | Very low | 77 Ų | 77 | 126.2 Ų | 126.2 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | | 97.1 | 165.6 | 126.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1150 | A | 32.5 | Very low | 35.5 | Very low | 97 Ų | 97 | 127 Ų | 127 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | | | cis | -163.5 | 150.3 | -10.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1151 | K | 31.3 | Very low | 35.7 | Very low | 205 Ų | 205 | 127.6 Ų | 127.6 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | | | trans | 18 | 113.4 | 147.6 | -174.5 | -176.9 | 177.6 | 177.8 | 0 | 119.2 | | |
| 1152 | G | 32.3 | Very low | 35.6 | Very low | 59 Ų | 59 | 126 Ų | 126 | 61% | 0.608 | 80% | 0.801 | S | S | * | * | | | | 101.2 | 128.2 | 117.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 1153 | N | 37.5 | Very low | 36.2 | Very low | 152 Ų | 152 | 125.9 Ų | 125.9 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | | 172.1 | 123.4 | 118.5 | -78.5 | -13.1 | 0 | 0 | 0 | 106.8 | | |
| 1154 | V | 33.6 | Very low | 36.3 | Very low | 142 Ų | 142 | 126.5 Ų | 126.5 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | | | | 61.7 | 92.5 | 72.8 | -177.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1155 | G | 34.4 | Very low | 36.3 | Very low | 75 Ų | 75 | 130.5 Ų | 130.5 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | | 73.3 | 119.3 | 123.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1156 | S | 39.2 | Very low | 36.6 | Very low | 117 Ų | 117 | 128 Ų | 128 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -152.2 | 71.1 | 143.4 | 64.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1157 | E | 36.8 | Very low | 36.7 | Very low | 195 Ų | 195 | 128.6 Ų | 128.6 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | | | | 21.9 | 99.2 | 127.4 | -166.5 | 170.9 | -169.2 | 0 | 0 | 118.2 | | |
| 1158 | G | 32.4 | Very low | 36.8 | Very low | 61 Ų | 61 | 128.8 Ų | 128.8 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | | | | 65.6 | 115.5 | 119.6 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1159 | E | 36.7 | Very low | 37 | Very low | 190 Ų | 190 | 127.1 Ų | 127.1 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | | | trans | -126 | 110.3 | 134.9 | -66.5 | -168.9 | 146.6 | 0 | 0 | 105.8 | | |
| 1160 | I | 38.6 | Very low | 37.3 | Very low | 160 Ų | 160 | 127 Ų | 127 | 82% | 0.821 | 78% | 0.781 | S | S | * | * | | | | 85.2 | 92.9 | 69.6 | -66.5 | 162.9 | 0 | 0 | 0 | 112.8 | | |
| 1161 | G | 38.9 | Very low | 37.3 | Very low | 72 Ų | 72 | 130.9 Ų | 130.9 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | trans | 75.4 | 165.9 | 149 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1162 | P | 37.6 | Very low | 37.9 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | cis | -112.8 | 166.2 | 8.6 | 40.2 | -30.8 | 0 | 0 | 0 | 115.5 | | |
| 1163 | D | 44.8 | Very low | 38.4 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | | | trans | 42.9 | 98.5 | 143.4 | -51.9 | -21.2 | 0 | 0 | 0 | 119.9 | E1165 | D1163-E1165 PolarHBondContact O-N 2.94Š|
| 1164 | G | 35.4 | Very low | 38.2 | Very low | 83 Ų | 83 | 127.1 Ų | 127.1 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | | | trans | -74.1 | 104.6 | 145.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | K1166 | G1164-K1166 PolarHBondContact O-N 3.05Š|
| 1165 | E | 36.3 | Very low | 38.6 | Very low | 180 Ų | 180 | 127.7 Ų | 127.7 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | | | trans | -66.4 | 105.8 | 178.3 | -71.9 | -150.8 | 119.5 | 0 | 0 | 111.3 | D1163 G1167 | D1163-E1165 PolarHBondContact O-N 2.94Å; E1165-G1167 PolarHBondContact O-N 3.11Å |
| 1166 | K | 43.9 | Very low | 38.9 | Very low | 144 Ų | 144 | 126.7 Ų | 126.7 | 63% | 0.626 | 78% | 0.775 | S | S | * | * | | | trans | 36.4 | 90.7 | 131 | -178.7 | 171.6 | 160.8 | -80.4 | 0 | 114.8 | G1164 D1168 | G1164-K1166 PolarHBondContact O-N 3.05Å; K1166-D1168 WeakPolarHBondContact CE-OD1 3.43Å; K1166-D1168 IonicContact NZ-OD1 2.64Å; K1166-D1168 PolarHBondContact NZ-OD1 2.82Å; K1166-D1168 IonicContact NZ-OD2 2.65Å; K1166-D1168 PolarHBondContact NZ-OD2 3.31Å; K1166-D1168 PolarHBondContact O-N 3.05Å |
| 1167 | G | 40.3 | Very low | 38.9 | Very low | 83 Ų | 83 | 127.1 Ų | 127.1 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | trans | -60.3 | 106 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | E1165 R1169 | E1165-G1167 PolarHBondContact O-N 3.11Å; G1167-R1169 PolarHBondContact O-N 3.34Å |
| 1168 | D | 36.7 | Very low | 39.2 | Very low | 116 Ų | 116 | 122.5 Ų | 122.5 | 62% | 0.62 | 76% | 0.762 | S | S | * | * | | | trans | -74.4 | 94.7 | 176.8 | -93.5 | -49 | 0 | 0 | 0 | 110.7 | K1166 | K1166-D1168 WeakPolarHBondContact CE-OD1 3.43Å; K1166-D1168 IonicContact NZ-OD1 2.64Å; K1166-D1168 PolarHBondContact NZ-OD1 2.82Å; K1166-D1168 IonicContact NZ-OD2 2.65Å; K1166-D1168 PolarHBondContact NZ-OD2 3.31Å; K1166-D1168 PolarHBondContact O-N 3.05Å |
| 1169 | R | 43.8 | Very low | 39.5 | Very low | 207 Ų | 207 | 125.3 Ų | 125.3 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | | | | 32 | 100 | 127.8 | -176.5 | -175 | -177.3 | 177.1 | -2.1 | 114.6 | G1167 E1171 | G1167-R1169 PolarHBondContact O-N 3.34Å; R1169-E1171 PolarHBondContact O-N 2.79Å |
| 1170 | G | 41.2 | Very low | 39.6 | Very low | 75 Ų | 75 | 126 Ų | 126 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 130.2 | 156.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 1171 | E | 32.3 | Very low | 39.6 | Very low | 178 Ų | 178 | 124.3 Ų | 124.3 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -70 | 153.2 | 174.7 | -61.5 | -155.4 | 115.1 | 0 | 0 | 110.5 | R1169 | R1169-E1171 PolarHBondContact O-N 2.79Š|
| 1172 | A | 43.2 | Very low | 39.8 | Very low | 93 Ų | 93 | 127 Ų | 127 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -77 | 138.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | D1174 | A1172-D1174 PolarHBondContact O-N 3.18Š|
| 1173 | G | 42.1 | Very low | 39.8 | Very low | 75 Ų | 75 | 126.6 Ų | 126.6 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 128.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1174 | D | 33.6 | Very low | 39.3 | Very low | 169 Ų | 169 | 123.3 Ų | 123.3 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 138.6 | -174.6 | -112.9 | -36.2 | 0 | 0 | 0 | 112 | A1172 G1176 | A1172-D1174 PolarHBondContact O-N 3.18Å; D1174-G1176 PolarHBondContact O-N 2.92Å |
| 1175 | I | 42.5 | Very low | 39.5 | Very low | 154 Ų | 154 | 128.2 Ų | 128.2 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | trans | -80.9 | 115.7 | -175.1 | -63.2 | 172.4 | 0 | 0 | 0 | 108.9 | | |
| 1176 | G | 41.6 | Very low | 39.6 | Very low | 55 Ų | 55 | 129.6 Ų | 129.6 | 57% | 0.567 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 135.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1174 | D1174-G1176 PolarHBondContact O-N 2.92Š|
| 1177 | P | 38.9 | Very low | 39.2 | Very low | 126 Ų | 126 | 126.2 Ų | 126.2 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 124.5 | -171 | 23.8 | -33.7 | 0 | 0 | 0 | 111.7 | | |
| 1178 | P | 43 | Very low | 39.2 | Very low | 97 Ų | 97 | 134 Ų | 134 | 63% | 0.63 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 145.1 | -173.4 | 30 | -35.5 | 0 | 0 | 0 | 113 | | |
| 1179 | S | 39.3 | Very low | 39.5 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 129.8 | 172.8 | -179.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1180 | Y | 38.5 | Very low | 39.1 | Very low | 205 Ų | 205 | 131.2 Ų | 131.2 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 128.1 | 158.1 | -63 | -100.7 | 0 | 0 | 0 | 105.9 | | |
| 1181 | T | 38.4 | Very low | 38.9 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 77% | 0.767 | 81% | 0.811 | S | S | * | * | | | | -152 | 166.7 | 50.3 | 62.7 | 0 | 0 | 0 | 0 | 110 | | |
| 1182 | T | 42.1 | Very low | 39.4 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | | | cis | -141.5 | 153.1 | 15.1 | 47.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1183 | A | 37.2 | Very low | 39.5 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | | | trans | -73.9 | 155.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1184 | G | 35.1 | Very low | 39.7 | Very low | 71 Ų | 71 | 137.8 Ų | 137.8 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | | | cis | 161.3 | 164.2 | -5.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1185 | L | 38.8 | Very low | 40 | Very low | 187 Ų | 187 | 138.7 Ų | 138.7 | 98% | 0.979 | 81% | 0.808 | S | S | * | * | | | trans | -128.6 | 145.6 | 169 | -81.7 | 176.7 | 0 | 0 | 0 | 111 | | |
| 1186 | K | 38.6 | Very low | 39.9 | Very low | 208 Ų | 208 | 134.4 Ų | 134.4 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | | | trans | -97.3 | 113.4 | -165.5 | 178.9 | -176.2 | 176.6 | -178.9 | 0 | 111.9 | | |
| 1187 | G | 36.9 | Very low | 39.6 | Very low | 74 Ų | 74 | 141.7 Ų | 141.7 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | | | trans | 56.4 | 124.4 | 146.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 1188 | R | 39.8 | Very low | 39.6 | Very low | 245 Ų | 245 | 144.9 Ų | 144.9 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | | | trans | -109 | 130.9 | 149.6 | -155.2 | 173.1 | -170.5 | -179.5 | 0.8 | 107.8 | | |
| 1189 | E | 42 | Very low | 39.7 | Very low | 193 Ų | 193 | 143.4 Ų | 143.4 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | | | trans | -67.5 | 154.5 | 177.4 | -69.7 | 162.3 | 128.7 | 0 | 0 | 110.3 | | |
| 1190 | G | 36.3 | Very low | 39.5 | Very low | 72 Ų | 72 | 147.2 Ų | 147.2 | 74% | 0.742 | 83% | 0.832 | S | S | * | * | | | trans | -74.4 | 171.9 | -161.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | E1192 | G1190-E1192 PolarHBondContact O-N 3.19Š|
| 1191 | L | 37.8 | Very low | 39.5 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 95% | 0.948 | 83% | 0.83 | S | S | * | * | | | trans | -82.8 | 100.4 | 157.1 | -69.5 | 177.8 | 0 | 0 | 0 | 108.3 | | |
| 1192 | E | 41.2 | Very low | 39.3 | Very low | 187 Ų | 187 | 139.3 Ų | 139.3 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | | | trans | -57.8 | 132.6 | 159.4 | -167.9 | 167.5 | -151.2 | 0 | 0 | 108.2 | G1190 | G1190-E1192 PolarHBondContact O-N 3.19Š|
| 1193 | G | 45.7 | Very low | 39 | Very low | 54 Ų | 54 | 141 Ų | 141 | 56% | 0.557 | 83% | 0.833 | S | S | * | * | | | trans | -72.6 | 173.8 | -165.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q1195 | G1193-Q1195 VanDerWaalsContact C-N 3.26Å; G1193-Q1195 PolarHBondContact O-N 3.07Å |
| 1194 | P | 45.8 | Very low | 38.9 | Very low | 138 Ų | 138 | 142.3 Ų | 142.3 | 90% | 0.896 | 84% | 0.835 | S | S | * | * | | | trans | -65.5 | 87.5 | 166 | 29.3 | -34 | 0 | 0 | 0 | 110 | G1196 | P1194-G1196 PolarHBondContact O-N 3.06Š|
| 1195 | Q | 41.5 | Very low | 38.8 | Very low | 188 Ų | 188 | 142.3 Ų | 142.3 | 88% | 0.879 | 84% | 0.836 | S | S | * | * | | | trans | -56.6 | 118.3 | 168.6 | -178.2 | -178.6 | -6.8 | 0 | 0 | 108.8 | G1193 | G1193-Q1195 VanDerWaalsContact C-N 3.26Å; G1193-Q1195 PolarHBondContact O-N 3.07Å |
| 1196 | G | 38.8 | Very low | 38.5 | Very low | 64 Ų | 64 | 142.1 Ų | 142.1 | 66% | 0.66 | 83% | 0.83 | S | S | * | * | | | trans | -72.6 | 157.9 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | P1194 Q1198 | P1194-G1196 PolarHBondContact O-N 3.06Å; G1196-Q1198 PolarHBondContact O-N 2.9Å |
| 1197 | E | 36.5 | Very low | 38.2 | Very low | 208 Ų | 208 | 141.4 Ų | 141.4 | 97% | 0.972 | 83% | 0.829 | S | S | * | * | | | trans | -71.2 | 96.2 | 164.3 | -73.9 | -150.7 | 125.7 | 0 | 0 | 110.4 | G1199 | E1197-G1199 PolarHBondContact O-N 3.39Š|
| 1198 | Q | 39.2 | Very low | 38.1 | Very low | 193 Ų | 193 | 141.7 Ų | 141.7 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | | | trans | -57.2 | 121.4 | 169.8 | 177.3 | -175.8 | -12.4 | 0 | 0 | 111.3 | G1196 | G1196-Q1198 PolarHBondContact O-N 2.9Š|
| 1199 | G | 43.6 | Very low | 38 | Very low | 66 Ų | 66 | 139 Ų | 139 | 68% | 0.68 | 83% | 0.83 | S | S | * | * | | | trans | -82 | -175 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | E1197 | E1197-G1199 PolarHBondContact O-N 3.39Š|
| 1200 | Q | 35.6 | Very low | 37.5 | Very low | 200 Ų | 200 | 136 Ų | 136 | 94% | 0.935 | 83% | 0.831 | S | S | * | * | | | trans | -148.7 | 157.2 | 170.3 | -67.7 | -172.5 | -4.9 | 0 | 0 | 110.5 | | |
| 1201 | A | 38.1 | Very low | 37.4 | Very low | 93 Ų | 93 | 136.6 Ų | 136.6 | 77% | 0.769 | 84% | 0.837 | S | S | * | * | | | cis | -178.4 | 132.5 | -31.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1202 | G | 34.4 | Very low | 37.4 | Very low | 70 Ų | 70 | 135.9 Ų | 135.9 | 72% | 0.722 | 83% | 0.832 | S | S | * | * | | | trans | 75 | 155.7 | 173 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1203 | D | 36.3 | Very low | 37.8 | Very low | 165 Ų | 165 | 133 Ų | 133 | 88% | 0.882 | 83% | 0.83 | S | S | * | * | | | cis | -140.7 | 167.2 | 0.1 | -81 | -35.4 | 0 | 0 | 0 | 111.1 | | |
| 1204 | S | 35.1 | Very low | 37.2 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 92% | 0.916 | 83% | 0.832 | S | S | * | * | | | trans | -63.1 | 148.2 | -173.4 | -46.1 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1205 | G | 33.2 | Very low | 36.4 | Very low | 72 Ų | 72 | 135.3 Ų | 135.3 | 74% | 0.742 | 83% | 0.829 | S | S | * | * | | | trans | 173 | 118.8 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1206 | E | 31.4 | Very low | 36.1 | Very low | 183 Ų | 183 | 135.3 Ų | 135.3 | 86% | 0.855 | 83% | 0.83 | S | S | * | * | | | trans | 36 | 112.3 | 149.2 | -66.6 | 177.1 | 177.8 | 0 | 0 | 119.1 | | |
| 1207 | Q | 32.7 | Very low | 35.8 | Very low | 192 Ų | 192 | 135.2 Ų | 135.2 | 90% | 0.897 | 83% | 0.829 | S | S | * | * | | | | 68.2 | 111.1 | 86 | -174.7 | -169.2 | -18 | 0 | 0 | 114.7 | | |
| 1208 | G | 34.7 | Very low | 35.6 | Very low | 80 Ų | 80 | 132.7 Ų | 132.7 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | | | trans | 155.3 | 123.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1209 | E | 37.9 | Very low | 35.8 | Very low | 188 Ų | 188 | 132.9 Ų | 132.9 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | | | trans | -82.6 | 150.4 | 174.4 | -56.4 | 163.2 | 102.1 | 0 | 0 | 112.2 | | |
| 1210 | S | 31.8 | Very low | 35.6 | Very low | 132 Ų | 132 | 132.7 Ų | 132.7 | 92% | 0.923 | 82% | 0.82 | S | S | * | * | | | trans | 160.6 | 136.2 | 136.8 | -75.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1211 | G | 34.4 | Very low | 35.3 | Very low | 83 Ų | 83 | 130.4 Ų | 130.4 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | | | trans | 147.9 | 86.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 1212 | I | 38.6 | Very low | 35.3 | Very low | 167 Ų | 167 | 135.8 Ų | 135.8 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | | | trans | -121.7 | 160.6 | 150.7 | 23.7 | 169.7 | 0 | 0 | 0 | 107.3 | | |
| 1213 | P | 47.8 | Very low | 35.3 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | | | cis | -128.4 | -157.8 | -19.1 | 37.5 | -18.7 | 0 | 0 | 0 | 111.3 | | |
| 1214 | G | 33.7 | Very low | 35 | Very low | 58 Ų | 58 | 136 Ų | 136 | 60% | 0.598 | 82% | 0.824 | S | S | * | * | | | trans | 157.4 | 99.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 1215 | E | 30.4 | Very low | 35 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | | | | 67.5 | 104.8 | 85.2 | -70.5 | 175.3 | 175.9 | 0 | 0 | 110.8 | | |
| 1216 | E | 35 | Very low | 35.1 | Very low | 189 Ų | 189 | 136.3 Ų | 136.3 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | | | | 86.3 | 127.5 | 88.3 | -171 | -178.7 | -132.3 | 0 | 0 | 110.8 | | |
| 1217 | G | 31.9 | Very low | 35.5 | Very low | 62 Ų | 62 | 137.3 Ų | 137.3 | 64% | 0.639 | 82% | 0.824 | S | S | * | * | | | cis | -176.8 | -126.7 | 0 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 1218 | D | 32.1 | Very low | 35.7 | Very low | 155 Ų | 155 | 132.4 Ų | 132.4 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | | | trans | 70 | 119.8 | 165 | -60.7 | -18.2 | 0 | 0 | 0 | 120.6 | | |
| 1219 | Q | 42.4 | Very low | 35.7 | Very low | 197 Ų | 197 | 132.8 Ų | 132.8 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | | | trans | 72.1 | 125.4 | 138.2 | -160.9 | 172.6 | 24 | 0 | 0 | 119.2 | | |
| 1220 | G | 39.5 | Very low | 35.5 | Very low | 61 Ų | 61 | 132.7 Ų | 132.7 | 63% | 0.629 | 82% | 0.82 | S | S | * | * | | | cis | 168.6 | 164.2 | -5.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1221 | D | 30.4 | Very low | 35.7 | Very low | 153 Ų | 153 | 133.5 Ų | 133.5 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | 29.5 | 95.6 | 153.9 | -41.3 | -31.1 | 0 | 0 | 0 | 119 | | |
| 1222 | E | 39 | Very low | 35.7 | Very low | 206 Ų | 206 | 132.8 Ų | 132.8 | 96% | 0.963 | 81% | 0.805 | S | S | * | * | | | trans | -179.6 | 150.5 | 133.3 | -101.9 | 167.6 | -164.9 | 0 | 0 | 110.2 | | |
| 1223 | G | 34.4 | Very low | 35.5 | Very low | 69 Ų | 69 | 128 Ų | 128 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | | | cis | -134.9 | 136.9 | 0.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1224 | L | 29.2 | Very low | 35.6 | Very low | 169 Ų | 169 | 124.6 Ų | 124.6 | 89% | 0.885 | 76% | 0.761 | S | S | * | * | | | trans | -76.7 | 129.6 | 156 | -76.5 | 169.8 | 0 | 0 | 0 | 108.4 | | |
| 1225 | T | 34.3 | Very low | 35.6 | Very low | 145 Ų | 145 | 122.6 Ų | 122.6 | 89% | 0.89 | 74% | 0.74 | S | S | * | * | | | trans | 68 | 144.3 | 161.7 | -46.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1226 | G | 35.4 | Very low | 35.7 | Very low | 65 Ų | 65 | 120.7 Ų | 120.7 | 67% | 0.67 | 74% | 0.735 | S | S | * | * | | | cis | -171.6 | -170.9 | -4.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1227 | E | 41.2 | Very low | 36 | Very low | 204 Ų | 204 | 120.1 Ų | 120.1 | 95% | 0.953 | 73% | 0.733 | S | S | * | * | | | trans | -70.8 | 144.8 | -177 | -59.9 | -178.8 | 116.9 | 0 | 0 | 113.4 | | |
| 1228 | A | 35.7 | Very low | 36.3 | Very low | 90 Ų | 90 | 118.2 Ų | 118.2 | 74% | 0.744 | 71% | 0.713 | S | S | * | * | | | trans | -160 | 104.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1230 | A1228-E1230 VanDerWaalsContact C-N 3.28Å; A1228-E1230 PolarHBondContact O-N 2.89Å; A1228-E1230 VanDerWaalsContact O-N 3.07Å |
| 1229 | G | 34.6 | Very low | 36.5 | Very low | 88 Ų | 88 | 114.6 Ų | 114.6 | 91% | 0.907 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -78.1 | 71.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1230 | E | 33.5 | Very low | 36.3 | Very low | 185 Ų | 185 | 112.2 Ų | 112.2 | 86% | 0.864 | 69% | 0.685 | S | S | * | * | | | trans | 57.4 | 112.8 | 173.2 | -66.3 | -151.5 | 128.3 | 0 | 0 | 120.5 | A1228 | A1228-E1230 VanDerWaalsContact C-N 3.28Å; A1228-E1230 PolarHBondContact O-N 2.89Å; A1228-E1230 VanDerWaalsContact O-N 3.07Å |
| 1231 | I | 35.9 | Very low | 36.3 | Very low | 150 Ų | 150 | 111.9 Ų | 111.9 | 77% | 0.769 | 68% | 0.682 | S | S | * | * | | | trans | -48.2 | 144.1 | 144.8 | -68.8 | 166.9 | 0 | 0 | 0 | 110.2 | T1233 | I1231-T1233 HydrophobicContact CG2-CG2 3.95Š|
| 1232 | G | 35.6 | Very low | 36.4 | Very low | 68 Ų | 68 | 107.7 Ų | 107.7 | 70% | 0.701 | 66% | 0.664 | S | S | * | * | | | cis | 170.8 | -143.9 | 9.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1233 | T | 33.1 | Very low | 36.7 | Very low | 66 Ų | 66 | 104 Ų | 104 | 41% | 0.405 | 65% | 0.646 | S | S | . | * | | | cis | -154.1 | 169.9 | 33.6 | 47.9 | 0 | 0 | 0 | 0 | 112.1 | R271 I1231 | R271-T1233 WeakPolarHBondContact CA-O 3.46Å; R271-T1233 VanDerWaalsContact CB-O 3.3Å; R271-T1233 WeakPolarHBondContact CB-O 3.12Å; R271-T1233 PolarHBondContact N-O 3.19Å; R271-T1233 VanDerWaalsContact N-O 3.11Å; I1231-T1233 HydrophobicContact CG2-CG2 3.95Å |
| 1234 | P | 51.3 | Low | 36.7 | Very low | 56 Ų | 56 | 104.1 Ų | 104.1 | 36% | 0.364 | 65% | 0.648 | S | S | . | * | | | trans | -134.2 | 146.3 | -145.5 | 43.8 | -30.3 | 0 | 0 | 0 | 118.7 | R271 Q273 | R271-P1234 VanDerWaalsContact CG-C 3.41Å; R271-P1234 WeakPolarHBondContact CG-O 3.26Å; R271-P1234 PolarHBondContact NE-O 2.97Å; R271-P1234 PolarHBondContact NH2-O 2.89Å; Q273-P1234 HydrophobicContact CG-CB 4.09Å; Q273-P1234 PolarHBondContact OE1-O 3.23Å |
| 1235 | G | 32 | Very low | 36.6 | Very low | 15 Ų | 15 | 101.5 Ų | 101.5 | 16% | 0.155 | 64% | 0.635 | C | S | . | * | | | trans | 152.6 | 114.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R271 G272 | R271-G1235 CarbonylContact C-O 3.53Å; R271-G1235 VanDerWaalsContact O-O 3.13Å; G272-G1235 VanDerWaalsContact C-C 3.47Å; G272-G1235 PolarHBondContact N-O 2.86Å; G272-G1235 CarbonylContact O-C 3.45Å |
| 1236 | L | 33.6 | Very low | 37.1 | Very low | 141 Ų | 141 | 104.3 Ų | 104.3 | 74% | 0.738 | 64% | 0.637 | S | S | * | * | | | | -116.1 | 113 | 74.3 | -61.3 | 179.4 | 0 | 0 | 0 | 113.6 | G272 Q273 A274 | G272-L1236 PolarHBondContact O-N 2.97Å; Q273-L1236 CarbonylContact C-O 3.59Å; Q273-L1236 VanDerWaalsContact CB-O 3.31Å; Q273-L1236 WeakPolarHBondContact CB-O 3.3Å; A274-L1236 WeakPolarHBondContact CB-O 3.2Å; A274-L1236 PolarHBondContact N-O 3.32Å |
| 1237 | E | 41.6 | Very low | 37.7 | Very low | 178 Ų | 178 | 104.6 Ų | 104.6 | 83% | 0.832 | 64% | 0.64 | S | S | * | * | | | trans | -45.2 | 143.7 | 167.3 | -177.4 | 177 | 175.9 | 0 | 0 | 114 | | |
| 1238 | G | 36.8 | Very low | 37.6 | Very low | 22 Ų | 22 | 100.5 Ų | 100.5 | 23% | 0.227 | 63% | 0.631 | C | S | . | * | | | trans | -161.4 | 155.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D276 | D276-G1238 WeakPolarHBondContact OD1-CA 3.5Š|
| 1239 | D | 36.3 | Very low | 37.5 | Very low | 78 Ų | 78 | 103.3 Ų | 103.3 | 42% | 0.417 | 64% | 0.639 | S | S | . | * | | | trans | -79 | 172.8 | -165 | 3.9 | -97.9 | 0 | 0 | 0 | 115.2 | D276 I277 | D276-D1239 HydrophobicContact CB-CB 4.29Å; D276-D1239 WeakPolarHBondContact CB-OD2 3.49Å; D276-D1239 PolarHBondContact N-O 2.71Å; D276-D1239 PolarHBondContact OD1-N 2.78Å; I277-D1239 WeakPolarHBondContact CA-OD2 3.34Å; I277-D1239 WeakPolarHBondContact CB-OD2 3.47Å; I277-D1239 WeakPolarHBondContact CD1-OD2 3.48Å; I277-D1239 WeakPolarHBondContact CG1-OD2 3.29Å |
| 1240 | I | 38.7 | Very low | 37.4 | Very low | 147 Ų | 147 | 102.3 Ų | 102.3 | 75% | 0.754 | 63% | 0.629 | S | S | * | * | | | cis | 157.7 | -6.5 | 16.1 | -57.4 | 165.5 | 0 | 0 | 0 | 113.7 | G278 | G278-I1240 VanDerWaalsContact O-O 3.1Š|
| 1241 | G | 38.9 | Very low | 37.5 | Very low | 54 Ų | 54 | 102.5 Ų | 102.5 | 56% | 0.557 | 63% | 0.63 | S | S | * | * | | | trans | 120.1 | -155.3 | -167.7 | 0 | 0 | 0 | 0 | 0 | 111 | I277 | I277-G1241 CarbonylContact C-O 3.39Å; I277-G1241 VanDerWaalsContact O-O 3.1Å |
| 1242 | P | 33.7 | Very low | 37.8 | Very low | 66 Ų | 66 | 104.7 Ų | 104.7 | 43% | 0.429 | 64% | 0.637 | S | S | . | * | | | cis | -140.3 | -153.5 | -5.9 | 46.4 | -27.6 | 0 | 0 | 0 | 113.1 | G278 P279 G1244 | G278-P1242 VanDerWaalsContact CA-CD 3.5Å; G278-P1242 VanDerWaalsContact CA-CG 3.43Å; P279-P1242 VanDerWaalsContact C-CB 3.46Å; P279-P1242 VanDerWaalsContact N-CB 3.33Å; P279-P1242 WeakPolarHBondContact O-CB 3.47Å; P279-P1242 VanDerWaalsContact O-CG 3.31Å; P279-P1242 WeakPolarHBondContact O-CG 3.31Å; P1242-G1244 PolarHBondContact O-N 3.28Å |
| 1243 | E | 45.5 | Very low | 38.3 | Very low | 128 Ų | 128 | 105 Ų | 105 | 60% | 0.598 | 64% | 0.639 | S | S | * | * | | | trans | -57.1 | 124.4 | 161.8 | -172.5 | -172.3 | 150.9 | 0 | 0 | 112 | N1245 | E1243-N1245 WeakPolarHBondContact CG-OD1 3.47Å; E1243-N1245 PolarHBondContact OE1-ND2 3.4Å |
| 1244 | G | 33.1 | Very low | 38.6 | Very low | 72 Ų | 72 | 106.8 Ų | 106.8 | 74% | 0.742 | 66% | 0.655 | S | S | * | * | | | trans | -145.6 | 11.1 | -167.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | P1242 | P1242-G1244 PolarHBondContact O-N 3.28Š|
| 1245 | N | 28.1 | Very low | 38.2 | Very low | 114 Ų | 114 | 113.6 Ų | 113.6 | 61% | 0.61 | 68% | 0.682 | S | S | * | * | | | trans | 21 | 116.4 | 159.3 | -52.2 | -16.5 | 0 | 0 | 0 | 120 | E1243 | E1243-N1245 WeakPolarHBondContact CG-OD1 3.47Å; E1243-N1245 PolarHBondContact OE1-ND2 3.4Å |
| 1246 | E | 43.9 | Very low | 38.7 | Very low | 203 Ų | 203 | 115.5 Ų | 115.5 | 95% | 0.949 | 70% | 0.702 | S | S | * | * | | | trans | 50.9 | 119.2 | 157.6 | -61.5 | -170.9 | 110.2 | 0 | 0 | 119.9 | | |
| 1247 | G | 48.7 | Very low | 38.9 | Very low | 71 Ų | 71 | 115.8 Ų | 115.8 | 73% | 0.732 | 70% | 0.704 | S | S | * | * | | | | 129.9 | -170.8 | 92.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1248 | P | 39 | Very low | 38.7 | Very low | 118 Ų | 118 | 114.2 Ų | 114.2 | 77% | 0.766 | 71% | 0.706 | S | S | * | * | | | cis | -140.2 | 155.5 | 12.4 | 40.5 | -22.5 | 0 | 0 | 0 | 117.8 | | |
| 1249 | V | 33.2 | Very low | 38.6 | Very low | 150 Ų | 150 | 116.2 Ų | 116.2 | 91% | 0.909 | 73% | 0.727 | S | S | * | * | | | trans | 49.1 | 129.5 | 140.2 | -177.8 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1250 | G | 33.7 | Very low | 38.6 | Very low | 67 Ų | 67 | 118 Ų | 118 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | | | cis | -172.7 | -171.2 | 7.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1251 | E | 34.3 | Very low | 38.4 | Very low | 189 Ų | 189 | 119.4 Ų | 119.4 | 88% | 0.883 | 74% | 0.741 | S | S | * | * | | | cis | -135.9 | 151.6 | 25 | -58.2 | -172.3 | 121 | 0 | 0 | 114.1 | | |
| 1252 | Q | 42.5 | Very low | 38 | Very low | 196 Ų | 196 | 117.5 Ų | 117.5 | 92% | 0.916 | 72% | 0.721 | S | S | * | * | | | trans | 21.5 | 116.9 | 138.7 | -170.4 | -171.3 | -60.4 | 0 | 0 | 120.6 | | |
| 1253 | G | 46.3 | Very low | 38 | Very low | 73 Ų | 73 | 117.6 Ų | 117.6 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | | | trans | 108.9 | 136.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1254 | S | 39.8 | Very low | 37.3 | Very low | 105 Ų | 105 | 120.7 Ų | 120.7 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | | | cis | -149 | 122.7 | -8.8 | 41.3 | 0 | 0 | 0 | 0 | 106.6 | | |
| 1255 | E | 42.5 | Very low | 37.3 | Very low | 199 Ų | 199 | 119.7 Ų | 119.7 | 93% | 0.93 | 73% | 0.725 | S | S | * | * | | | | 62 | 88.8 | 85 | -168.7 | 171.2 | -160.7 | 0 | 0 | 110.7 | | |
| 1256 | G | 42.8 | Very low | 37.2 | Very low | 55 Ų | 55 | 119.7 Ų | 119.7 | 57% | 0.567 | 73% | 0.731 | S | S | * | * | | | trans | 139 | 121.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1257 | D | 38.2 | Very low | 36.7 | Very low | 147 Ų | 147 | 119.3 Ų | 119.3 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | | | cis | -143.5 | 153 | -17.2 | -83.5 | -59.7 | 0 | 0 | 0 | 107.1 | | |
| 1258 | V | 37.9 | Very low | 36.1 | Very low | 145 Ų | 145 | 118.3 Ų | 118.3 | 88% | 0.879 | 72% | 0.719 | S | S | * | * | | | cis | 72.2 | 33.6 | 29 | -159.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1259 | G | 34.4 | Very low | 35.6 | Very low | 64 Ų | 64 | 122 Ų | 122 | 66% | 0.66 | 73% | 0.726 | S | S | * | * | | | trans | -169.7 | 146.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1260 | M | 35.2 | Very low | 35.4 | Very low | 114 Ų | 114 | 121.6 Ų | 121.6 | 56% | 0.562 | 71% | 0.712 | S | S | * | * | | | cis | -150.7 | 131.6 | -11.4 | -135.7 | 172.5 | 72 | 0 | 0 | 110.8 | D221 G1262 | D221-M1260 HydrophobicContact CB-CE 4.15Å; D221-M1260 VanDerWaalsContact OD1-CE 3.23Å; D221-M1260 WeakPolarHBondContact OD1-CE 3.27Å; D221-M1260 VanDerWaalsContact OD2-CE 3.31Å; D221-M1260 WeakPolarHBondContact OD2-CE 3.32Å; M1260-G1262 PolarHBondContact O-N 3.05Å |
| 1261 | I | 34.1 | Very low | 35.4 | Very low | 177 Ų | 177 | 121.1 Ų | 121.1 | 91% | 0.908 | 71% | 0.707 | S | S | * | * | | | trans | -82.3 | 83.9 | 152.8 | -63.9 | 177.6 | 0 | 0 | 0 | 105.7 | | |
| 1262 | G | 31.9 | Very low | 35.1 | Very low | 14 Ų | 14 | 121.1 Ų | 121.1 | 14% | 0.144 | 71% | 0.707 | C | S | . | * | | | trans | -73.3 | 122.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | M1260 | M1260-G1262 PolarHBondContact O-N 3.05Š|
| 1263 | A | 33.7 | Very low | 34.9 | Very low | 68 Ų | 68 | 116.2 Ų | 116.2 | 56% | 0.562 | 69% | 0.692 | S | S | * | * | | | | 82.5 | 114.7 | 54.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1264 | Y | 30.2 | Very low | 34.1 | Very low | 193 Ų | 193 | 114 Ų | 114 | 76% | 0.757 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -76.8 | 140.3 | 163.1 | -107.7 | -79.7 | 0 | 0 | 0 | 108.7 | L218 | L218-Y1264 HydrophobicContact CD1-CD2 3.67Å; L218-Y1264 HydrophobicContact CD1-CE2 3.98Å; L218-Y1264 HydrophobicContact CD1-CG 4.31Å; L218-Y1264 HydrophobicContact CD2-CD1 3.99Å; L218-Y1264 HydrophobicContact CD2-CD2 3.8Å; L218-Y1264 HydrophobicContact CD2-CE1 4.07Å; L218-Y1264 HydrophobicContact CD2-CE2 3.86Å; L218-Y1264 HydrophobicContact CD2-CG 3.84Å; L218-Y1264 HydrophobicContact CG-CD2 4.06Å; L218-Y1264 HydrophobicContact CG-CE2 3.97Å |
| 1265 | G | 32.5 | Very low | 33.9 | Very low | 51 Ų | 51 | 115.5 Ų | 115.5 | 53% | 0.526 | 67% | 0.668 | S | S | . | * | | | trans | 91.1 | 135.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1266 | P | 27.6 | Very low | 33.6 | Very low | 114 Ų | 114 | 111.1 Ų | 111.1 | 74% | 0.74 | 64% | 0.643 | S | S | * | * | | | cis | -63.5 | 149.5 | 9.6 | 20.7 | -32 | 0 | 0 | 0 | 115.4 | G1268 | P1266-G1268 VanDerWaalsContact CB-CA 3.44Š|
| 1267 | E | 32.5 | Very low | 33.2 | Very low | 195 Ų | 195 | 110.4 Ų | 110.4 | 91% | 0.911 | 64% | 0.636 | S | S | * | * | | | cis | 25.4 | 83.9 | 13.6 | -165 | 164.1 | -166.4 | 0 | 0 | 113.6 | | |
| 1268 | G | 35.1 | Very low | 33.1 | Very low | 50 Ų | 50 | 109.2 Ų | 109.2 | 52% | 0.515 | 63% | 0.629 | S | S | . | * | | | trans | -53.3 | 165.4 | -166.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | P1266 K1270 | P1266-G1268 VanDerWaalsContact CB-CA 3.44Å; G1268-K1270 PolarHBondContact O-N 2.98Å |
| 1269 | E | 30.3 | Very low | 32.9 | Very low | 197 Ų | 197 | 107.7 Ų | 107.7 | 92% | 0.921 | 62% | 0.621 | S | S | * | * | | | trans | -61.1 | 83.9 | 135.8 | -68.6 | -153 | 133.9 | 0 | 0 | 108 | G1271 | E1269-G1271 PolarHBondContact O-N 3.49Å; E1269-G1271 VanDerWaalsContact O-N 3.12Å |
| 1270 | K | 28.1 | Very low | 32.9 | Very low | 141 Ų | 141 | 108 Ų | 108 | 61% | 0.613 | 62% | 0.623 | S | S | * | * | | | trans | -21.5 | 111.3 | 139.9 | 167.2 | 172 | 170.8 | 145.9 | 0 | 108.8 | E306 G1268 | E306-K1270 VanDerWaalsContact OE1-CE 3.3Å; E306-K1270 WeakPolarHBondContact OE1-CE 3.4Å; E306-K1270 IonicContact OE1-NZ 2.66Å; E306-K1270 PolarHBondContact OE1-NZ 3.46Å; E306-K1270 WeakPolarHBondContact OE2-CE 3.18Å; E306-K1270 IonicContact OE2-NZ 2.72Å; E306-K1270 PolarHBondContact OE2-NZ 3.15Å; G1268-K1270 PolarHBondContact O-N 2.98Å |
| 1271 | G | 33.7 | Very low | 33.2 | Very low | 56 Ų | 56 | 111.8 Ų | 111.8 | 58% | 0.577 | 64% | 0.64 | S | S | * | * | | | trans | -70 | -174.3 | -161.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | E1269 | E1269-G1271 PolarHBondContact O-N 3.49Å; E1269-G1271 VanDerWaalsContact O-N 3.12Å |
| 1272 | E | 27.2 | Very low | 33.2 | Very low | 189 Ų | 189 | 107.7 Ų | 107.7 | 88% | 0.883 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -48.3 | 139 | 159.6 | -96.3 | -94 | 104 | 0 | 0 | 109.6 | | |
| 1273 | P | 39 | Very low | 33.6 | Very low | 94 Ų | 94 | 111.5 Ų | 111.5 | 61% | 0.61 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -77 | 142.4 | -144.7 | -19.9 | 34 | 0 | 0 | 0 | 112.2 | L1275 | P1273-L1275 PolarHBondContact O-N 3.15Š|
| 1274 | G | 29.3 | Very low | 33.8 | Very low | 25 Ų | 25 | 114.2 Ų | 114.2 | 26% | 0.258 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 130.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | E306 K307 R1276 | E306-G1274 VanDerWaalsContact CA-O 3.27Å; E306-G1274 WeakPolarHBondContact CA-O 3.35Å; K307-G1274 PolarHBondContact N-O 3.46Å; G1274-R1276 VanDerWaalsContact C-N 3.32Å; G1274-R1276 PolarHBondContact O-N 2.87Å |
| 1275 | L | 35.2 | Very low | 34.2 | Very low | 138 Ų | 138 | 111.6 Ų | 111.6 | 72% | 0.723 | 67% | 0.671 | S | S | * | * | | | trans | -75.4 | 79.6 | 167.9 | -146.7 | -168.7 | 0 | 0 | 0 | 112.4 | K307 P1273 | K307-L1275 VanDerWaalsContact CB-C 3.48Å; K307-L1275 VanDerWaalsContact CB-N 3.33Å; K307-L1275 WeakPolarHBondContact CB-O 3.48Å; P1273-L1275 PolarHBondContact O-N 3.15Å |
| 1276 | R | 37.6 | Very low | 33.9 | Very low | 106 Ų | 106 | 113.1 Ų | 113.1 | 40% | 0.4 | 67% | 0.673 | S | S | . | * | | | trans | 49.8 | 100 | 151.9 | -159.6 | -169.7 | -153.8 | 96.5 | -0.4 | 119.1 | I304 G305 E306 G1274 D1278 | I304-R1276 HydrophobicContact CG2-CG 4.34Å; I304-R1276 VanDerWaalsContact CG2-CZ 3.48Å; I304-R1276 VanDerWaalsContact CG2-NH2 3.26Å; I304-R1276 PolarHBondContact O-NH1 3.38Å; G305-R1276 WeakPolarHBondContact O-CA 3.42Å; G305-R1276 WeakPolarHBondContact O-CB 3.41Å; G305-R1276 PolarHBondContact O-N 3.28Å; E306-R1276 VanDerWaalsContact C-N 3.33Å; G1274-R1276 VanDerWaalsContact C-N 3.32Å; G1274-R1276 PolarHBondContact O-N 2.87Å; R1276-D1278 WeakPolarHBondContact CD-OD1 3.18Å; R1276-D1278 IonicContact NE-OD1 3.78Å; R1276-D1278 PolarHBondContact NE-OD1 2.99Å; R1276-D1278 VanDerWaalsContact NE-OD1 3.1Å; R1276-D1278 IonicContact NE-OD2 3.1Å; R1276-D1278 PolarHBondContact O-N 3.41Å; R1276-D1278 VanDerWaalsContact O-N 3.16Å |
| 1277 | G | 33.2 | Very low | 34.3 | Very low | 40 Ų | 40 | 112.8 Ų | 112.8 | 41% | 0.412 | 67% | 0.673 | S | S | . | * | | | trans | -66.3 | 103 | 146.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | E306 T1279 | E306-G1277 PolarHBondContact O-N 2.95Å; G1277-T1279 VanDerWaalsContact C-N 3.34Å; G1277-T1279 PolarHBondContact O-N 3.24Å; G1277-T1279 PolarHBondContact O-OG1 3.02Å |
| 1278 | D | 35.9 | Very low | 34.1 | Very low | 122 Ų | 122 | 110.3 Ų | 110.3 | 65% | 0.652 | 67% | 0.665 | S | S | * | * | | | trans | -77.8 | 90.8 | 151.1 | -75.2 | -20.7 | 0 | 0 | 0 | 105.7 | R1276 | R1276-D1278 WeakPolarHBondContact CD-OD1 3.18Å; R1276-D1278 IonicContact NE-OD1 3.78Å; R1276-D1278 PolarHBondContact NE-OD1 2.99Å; R1276-D1278 VanDerWaalsContact NE-OD1 3.1Å; R1276-D1278 IonicContact NE-OD2 3.1Å; R1276-D1278 PolarHBondContact O-N 3.41Å; R1276-D1278 VanDerWaalsContact O-N 3.16Å |
| 1279 | T | 33.9 | Very low | 34 | Very low | 114 Ų | 114 | 111.6 Ų | 111.6 | 70% | 0.699 | 68% | 0.678 | S | S | * | * | | | | 78 | 98.5 | 73.5 | -67 | 0 | 0 | 0 | 0 | 112.9 | G1277 | G1277-T1279 VanDerWaalsContact C-N 3.34Å; G1277-T1279 PolarHBondContact O-N 3.24Å; G1277-T1279 PolarHBondContact O-OG1 3.02Å |
| 1280 | G | 34.3 | Very low | 34.5 | Very low | 69 Ų | 69 | 107.9 Ų | 107.9 | 71% | 0.711 | 67% | 0.671 | S | S | * | * | | | trans | 43.6 | 123.9 | 136.8 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 1281 | E | 42.6 | Very low | 34.4 | Very low | 194 Ų | 194 | 111.5 Ų | 111.5 | 91% | 0.907 | 69% | 0.687 | S | S | * | * | | | | -133.8 | 123.6 | 105.4 | -78.5 | -169.7 | 148.3 | 0 | 0 | 107.3 | | |
| 1282 | A | 32.7 | Very low | 34.2 | Very low | 92 Ų | 92 | 112 Ų | 112 | 76% | 0.76 | 69% | 0.691 | S | S | * | * | | | cis | 89.9 | 147.9 | 47.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1283 | A | 41.1 | Very low | 34.1 | Very low | 93 Ų | 93 | 113.2 Ų | 113.2 | 77% | 0.769 | 69% | 0.694 | S | S | * | * | | | trans | 71.6 | 129.5 | -172 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1284 | T | 38.7 | Very low | 33.8 | Very low | 125 Ų | 125 | 115.6 Ų | 115.6 | 77% | 0.767 | 70% | 0.697 | S | S | * | * | | | cis | -158 | 150.1 | -5.3 | 5.9 | 0 | 0 | 0 | 0 | 113 | | |
| 1285 | N | 38 | Very low | 34 | Very low | 138 Ų | 138 | 115 Ų | 115 | 74% | 0.738 | 69% | 0.691 | S | S | * | * | | | | 5.6 | 144.8 | 126.4 | -76.1 | -15.8 | 0 | 0 | 0 | 118.6 | | |
| 1286 | C | 25.7 | Very low | 33.9 | Very low | 83 Ų | 83 | 116.2 Ų | 116.2 | 56% | 0.561 | 69% | 0.686 | S | S | * | * | | | cis | -174 | 169.4 | -8.8 | -120.6 | 0 | 0 | 0 | 0 | 107.7 | I1288 | C1286-I1288 WeakPolarHBondContact SG-CD1 3.44Š|
| 1287 | S | 35.2 | Very low | 33.7 | Very low | 107 Ų | 107 | 116.7 Ų | 116.7 | 75% | 0.748 | 70% | 0.696 | S | S | * | * | | | cis | -134.7 | 131.4 | 13.3 | -52.1 | 0 | 0 | 0 | 0 | 109 | | |
| 1288 | I | 28.5 | Very low | 33.6 | Very low | 144 Ų | 144 | 116.9 Ų | 116.9 | 74% | 0.738 | 70% | 0.697 | S | S | * | * | | | | 60.8 | 117.6 | 73.2 | -63.3 | -172.2 | 0 | 0 | 0 | 113.4 | C1286 | C1286-I1288 WeakPolarHBondContact SG-CD1 3.44Š|
| 1289 | G | 33.6 | Very low | 34.2 | Very low | 77 Ų | 77 | 116.8 Ų | 116.8 | 79% | 0.794 | 70% | 0.704 | S | S | * | * | | | trans | -178.7 | 75.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1290 | P | 41.8 | Very low | 34.3 | Very low | 119 Ų | 119 | 119.9 Ų | 119.9 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | | | trans | -89.3 | -174.4 | -174.4 | 37.8 | -37.4 | 0 | 0 | 0 | 113.5 | | |
| 1291 | K | 25.6 | Very low | 34.2 | Very low | 217 Ų | 217 | 119.8 Ų | 119.8 | 94% | 0.943 | 71% | 0.714 | S | S | * | * | | | trans | 86.1 | 123.1 | 173.8 | -159.3 | 177.7 | -174.3 | 175.9 | 0 | 114.1 | | |
| 1292 | G | 29.6 | Very low | 33.9 | Very low | 65 Ų | 65 | 118.8 Ų | 118.8 | 67% | 0.67 | 71% | 0.714 | S | S | * | * | | | cis | 159.2 | 174.2 | -7.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1293 | K | 25.1 | Very low | 34.7 | Very low | 215 Ų | 215 | 120 Ų | 120 | 94% | 0.935 | 71% | 0.714 | S | S | * | * | | | trans | 58.8 | 148.3 | 170.2 | -61.1 | -167.2 | 177 | -168.8 | 0 | 116 | | |
| 1294 | Q | 31.1 | Very low | 34.8 | Very low | 145 Ų | 145 | 118.7 Ų | 118.7 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | | | | -170.7 | -163.4 | 55.7 | -157.1 | -148.3 | -67.1 | 0 | 0 | 113.2 | S213 | S213-Q1294 VanDerWaalsContact CB-O 3.3Å; S213-Q1294 WeakPolarHBondContact CB-O 3.34Å |
| 1295 | G | 35.4 | Very low | 35.3 | Very low | 13 Ų | 13 | 119 Ų | 119 | 13% | 0.134 | 71% | 0.713 | C | S | . | * | | | trans | -179.3 | -160.8 | 146.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S213 A215 | S213-G1295 CarbonylContact O-C 3.58Å; S213-G1295 WeakPolarHBondContact O-CA 3.34Å; A215-G1295 WeakPolarHBondContact CB-O 3.46Å |
| 1296 | R | 31.8 | Very low | 35.9 | Very low | 163 Ų | 163 | 121.4 Ų | 121.4 | 62% | 0.615 | 72% | 0.72 | S | S | * | * | | | cis | -80.2 | -175.6 | -23.7 | -116.4 | 175.7 | 173.5 | 118.9 | -11.1 | 107.6 | S213 A215 | S213-R1296 CarbonylContact O-C 3.46Å; S213-R1296 WeakPolarHBondContact O-CA 3.33Å; A215-R1296 HydrophobicContact CB-CB 4.2Å; A215-R1296 VanDerWaalsContact N-CG 3.35Å; A215-R1296 WeakPolarHBondContact O-CD 3.24Å; A215-R1296 PolarHBondContact O-NH1 3.4Å |
| 1297 | L | 32.8 | Very low | 37.1 | Very low | 116 Ų | 116 | 119.9 Ų | 119.9 | 61% | 0.607 | 72% | 0.718 | S | S | * | * | | | cis | -156.4 | 167.8 | 1.2 | -120.1 | 151.9 | 0 | 0 | 0 | 102.7 | E212 | E212-L1297 WeakPolarHBondContact CB-O 3.2Š|
| 1298 | G | 31.5 | Very low | 37.8 | Very low | 43 Ų | 43 | 120.6 Ų | 120.6 | 44% | 0.443 | 72% | 0.721 | S | S | . | * | | | cis | 174.9 | -145.1 | 23.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1299 | P | 48.2 | Very low | 39.2 | Very low | 121 Ų | 121 | 119.6 Ų | 119.6 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | | | trans | -99.5 | 156.6 | -154.7 | 37.4 | -37 | 0 | 0 | 0 | 116.3 | | |
| 1300 | L | 37 | Very low | 40 | Very low | 179 Ų | 179 | 119.3 Ų | 119.3 | 94% | 0.937 | 72% | 0.72 | S | S | * | * | | | trans | -146.2 | 136.7 | 153.7 | -153.2 | 71.5 | 0 | 0 | 0 | 111.1 | | |
| 1301 | G | 32.8 | Very low | 40.1 | Very low | 67 Ų | 67 | 121.5 Ų | 121.5 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 159 | -155.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | P1303 | G1301-P1303 WeakPolarHBondContact O-CD 3.25Š|
| 1302 | L | 35.6 | Very low | 41.2 | Very low | 172 Ų | 172 | 120.5 Ų | 120.5 | 90% | 0.901 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 126.3 | 159.9 | -71.4 | 167.9 | 0 | 0 | 0 | 109.6 | | |
| 1303 | P | 48.8 | Very low | 42.1 | Very low | 119 Ų | 119 | 120.5 Ų | 120.5 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -60 | 136.4 | 154.5 | -15.2 | 30.6 | 0 | 0 | 0 | 108 | G1301 | G1301-P1303 WeakPolarHBondContact O-CD 3.25Š|
| 1304 | G | 44.1 | Very low | 43 | Very low | 64 Ų | 64 | 118.3 Ų | 118.3 | 66% | 0.66 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 149.2 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1306 | G1304-Q1306 PolarHBondContact O-N 2.04Š|
| 1305 | P | 48.3 | Very low | 44.1 | Very low | 132 Ų | 132 | 117.4 Ų | 117.4 | 86% | 0.857 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 127.1 | 178.7 | 23.8 | -33.5 | 0 | 0 | 0 | 109.8 | G1307 | P1305-G1307 PolarHBondContact O-N 2.91Š|
| 1306 | Q | 51.2 | Low | 44.6 | Very low | 188 Ų | 188 | 120.3 Ų | 120.3 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 121.8 | 172.4 | -179.7 | 172.4 | -17.3 | 0 | 0 | 107.7 | G1304 | G1304-Q1306 PolarHBondContact O-N 2.04Š|
| 1307 | G | 51.5 | Low | 45.1 | Very low | 51 Ų | 51 | 120.8 Ų | 120.8 | 53% | 0.526 | 77% | 0.772 | S | S | . | * | P | Polyproline II helix | trans | -55.8 | 151.3 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | P1305 | P1305-G1307 PolarHBondContact O-N 2.91Š|
| 1308 | P | 49.4 | Very low | 45.9 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 138.6 | -176.7 | 22.4 | -33.6 | 0 | 0 | 0 | 110.5 | G1310 | P1308-G1310 PolarHBondContact O-N 2.75Å; P1308-G1310 VanDerWaalsContact O-N 3.1Å |
| 1309 | P | 58.9 | Low | 46.6 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 119 | 173.5 | -24.2 | 34.2 | 0 | 0 | 0 | 109.7 | | |
| 1310 | G | 49.1 | Very low | 46.3 | Very low | 70 Ų | 70 | 133.6 Ų | 133.6 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 142.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P1308 | P1308-G1310 PolarHBondContact O-N 2.75Å; P1308-G1310 VanDerWaalsContact O-N 3.1Å |
| 1311 | D | 45 | Very low | 46.8 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 138.3 | -174.4 | -64.6 | -62.7 | 0 | 0 | 0 | 112.9 | G1313 | D1311-G1313 PolarHBondContact O-N 3.06Š|
| 1312 | Q | 47.9 | Very low | 47.3 | Very low | 197 Ų | 197 | 133 Ų | 133 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | | | trans | -73 | 92.9 | -173.1 | -165.4 | 172.8 | 17.8 | 0 | 0 | 110.5 | | |
| 1313 | G | 47.9 | Very low | 47.6 | Very low | 65 Ų | 65 | 131 Ų | 131 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 139.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1311 | D1311-G1313 PolarHBondContact O-N 3.06Š|
| 1314 | L | 44 | Very low | 47.1 | Very low | 169 Ų | 169 | 131.4 Ų | 131.4 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 135.5 | -176.1 | -69 | 170 | 0 | 0 | 0 | 112 | G1316 | L1314-G1316 PolarHBondContact O-N 3.17Å; L1314-G1316 VanDerWaalsContact O-N 3.16Å |
| 1315 | P | 54.4 | Low | 46.7 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 120.1 | -177.2 | -28.5 | 35.7 | 0 | 0 | 0 | 113.4 | L1317 | P1315-L1317 PolarHBondContact O-N 3.18Š|
| 1316 | G | 46.5 | Very low | 46 | Very low | 74 Ų | 74 | 132.8 Ų | 132.8 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 133 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | L1314 R1318 | L1314-G1316 PolarHBondContact O-N 3.17Å; L1314-G1316 VanDerWaalsContact O-N 3.16Å; G1316-R1318 PolarHBondContact O-N 2.84Å |
| 1317 | L | 41.3 | Very low | 45.4 | Very low | 173 Ų | 173 | 127.2 Ų | 127.2 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 121.6 | 177.8 | -71.8 | 173.9 | 0 | 0 | 0 | 110.7 | P1315 G1319 | P1315-L1317 PolarHBondContact O-N 3.18Å; L1317-G1319 PolarHBondContact O-N 2.9Å |
| 1318 | R | 50.9 | Low | 44.6 | Very low | 241 Ų | 241 | 130.6 Ų | 130.6 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | | | trans | -49.3 | 108.4 | -175.6 | -179.4 | -179.6 | 177.6 | 166.7 | 2.7 | 112.8 | G1316 | G1316-R1318 PolarHBondContact O-N 2.84Š|
| 1319 | G | 45.1 | Very low | 43.8 | Very low | 63 Ų | 63 | 133 Ų | 133 | 65% | 0.649 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 143.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1317 | L1317-G1319 PolarHBondContact O-N 2.9Š|
| 1320 | R | 42.9 | Very low | 42.8 | Very low | 245 Ų | 245 | 130.5 Ų | 130.5 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 138.7 | 174.2 | -68.4 | 173.3 | 66.5 | 171.5 | 1.3 | 110.3 | | |
| 1321 | D | 47.9 | Very low | 42.2 | Very low | 165 Ų | 165 | 131.9 Ų | 131.9 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 134 | -175.2 | -66 | -67.5 | 0 | 0 | 0 | 114.3 | | |
| 1322 | G | 42.2 | Very low | 42.4 | Very low | 69 Ų | 69 | 130.2 Ų | 130.2 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -76 | 134 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 1323 | P | 43.1 | Very low | 41.9 | Very low | 129 Ų | 129 | 124.5 Ų | 124.5 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 146 | -167.2 | 35 | -36.6 | 0 | 0 | 0 | 115.4 | | |
| 1324 | P | 36.5 | Very low | 41.2 | Very low | 129 Ų | 129 | 130 Ų | 130 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | | | trans | -129.4 | 110.1 | 156.8 | 33.6 | -18.4 | 0 | 0 | 0 | 112.8 | | |
| 1325 | G | 37.7 | Very low | 41 | Very low | 74 Ų | 74 | 129 Ų | 129 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | | | trans | 172.7 | 38.4 | 179 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 1326 | V | 33.4 | Very low | 40 | Very low | 150 Ų | 150 | 126.1 Ų | 126.1 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | | | trans | 17.7 | 107.1 | 160.2 | -170.6 | 0 | 0 | 0 | 0 | 118.5 | | |
| 1327 | G | 37.8 | Very low | 39.3 | Very low | 72 Ų | 72 | 129 Ų | 129 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | | | trans | -141 | -5.2 | -167.3 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 1328 | V | 34.3 | Very low | 38.9 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | | | trans | 62.5 | 105.3 | 161.8 | -171.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1329 | I | 34.1 | Very low | 38.2 | Very low | 174 Ų | 174 | 119.4 Ų | 119.4 | 89% | 0.892 | 79% | 0.793 | S | S | * | * | | | trans | 59.4 | 138.2 | 142.6 | -55 | 173.4 | 0 | 0 | 0 | 118.9 | | |
| 1330 | G | 37.2 | Very low | 37.6 | Very low | 71 Ų | 71 | 125.1 Ų | 125.1 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | | | cis | -174.8 | -161.9 | 8.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1331 | A | 35.5 | Very low | 37.1 | Very low | 98 Ų | 98 | 121.9 Ų | 121.9 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | | | trans | -134.3 | -161.6 | -161.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1332 | P | 50.7 | Low | 36.5 | Very low | 131 Ų | 131 | 117.2 Ų | 117.2 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | | | | -125.5 | -161.9 | -67.9 | 37.7 | -21.9 | 0 | 0 | 0 | 112.8 | | |
| 1333 | G | 36.9 | Very low | 36.5 | Very low | 76 Ų | 76 | 122.4 Ų | 122.4 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | | | trans | -163.6 | 146.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1334 | E | 33.4 | Very low | 36.6 | Very low | 180 Ų | 180 | 121.7 Ų | 121.7 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | | | trans | -124.7 | 171.9 | -170.8 | -62.4 | -177.5 | 130.6 | 0 | 0 | 114.4 | | |
| 1335 | L | 38.7 | Very low | 36.9 | Very low | 148 Ų | 148 | 118.8 Ų | 118.8 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | | | trans | 71.8 | 138.7 | 158.7 | -103 | 64.3 | 0 | 0 | 0 | 119.5 | | |
| 1336 | G | 33.8 | Very low | 36.7 | Very low | 65 Ų | 65 | 124.9 Ų | 124.9 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | | | cis | 169.8 | 176.2 | -7.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1337 | D | 31.8 | Very low | 37.2 | Very low | 134 Ų | 134 | 122 Ų | 122 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | | | trans | 72.2 | 135.9 | 146 | -50 | -18.9 | 0 | 0 | 0 | 124.5 | | |
| 1338 | T | 33.7 | Very low | 37.6 | Very low | 147 Ų | 147 | 122 Ų | 122 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | | | trans | 85.1 | 129 | 156.8 | -25.7 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1339 | G | 35.6 | Very low | 37.7 | Very low | 67 Ų | 67 | 125.5 Ų | 125.5 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | | | cis | -175.7 | -165.7 | 0.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1340 | H | 31.7 | Very low | 38.9 | Very low | 182 Ų | 182 | 123.6 Ų | 123.6 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | | | trans | -73 | 152.2 | -158.7 | -41.8 | -98.3 | 0 | 0 | 0 | 118.7 | | |
| 1341 | I | 32.7 | Very low | 39.4 | Very low | 178 Ų | 178 | 123.8 Ų | 123.8 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | | | | 159.4 | 137.9 | 116 | -84.7 | 167.8 | 0 | 0 | 0 | 111.1 | | |
| 1342 | G | 35.4 | Very low | 39.3 | Very low | 66 Ų | 66 | 127.3 Ų | 127.3 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | | | trans | 136.5 | 114.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1343 | L | 41.9 | Very low | 39.2 | Very low | 179 Ų | 179 | 130.3 Ų | 130.3 | 94% | 0.937 | 81% | 0.809 | S | S | * | * | | | trans | -98.8 | 123.5 | 167.9 | -73.6 | 168.1 | 0 | 0 | 0 | 110.2 | | |
| 1344 | P | 45.4 | Very low | 39.8 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | -84.1 | 154.2 | 145.1 | 3.5 | 17.3 | 0 | 0 | 0 | 109 | | |
| 1345 | G | 43 | Very low | 39.9 | Very low | 68 Ų | 68 | 123.7 Ų | 123.7 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | cis | 121.1 | 106.2 | 10.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 1346 | E | 33.5 | Very low | 40.4 | Very low | 203 Ų | 203 | 124.9 Ų | 124.9 | 95% | 0.949 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 138.9 | -166.5 | -63.6 | 175.5 | 133.7 | 0 | 0 | 113.5 | | |
| 1347 | A | 44.3 | Very low | 40.9 | Very low | 90 Ų | 90 | 124.4 Ų | 124.4 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 126.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1348 | G | 45.7 | Very low | 41.2 | Very low | 71 Ų | 71 | 124.5 Ų | 124.5 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 167.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1349 | E | 36.5 | Very low | 41.6 | Very low | 195 Ų | 195 | 123 Ų | 123 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 142.4 | -176.1 | -60 | 179.6 | 131.2 | 0 | 0 | 113 | G1351 | E1349-G1351 PolarHBondContact O-N 3.36Š|
| 1350 | P | 60.3 | Low | 41.7 | Very low | 134 Ų | 134 | 123.7 Ų | 123.7 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 131 | 177.3 | -22.2 | 33.9 | 0 | 0 | 0 | 112.9 | | |
| 1351 | G | 46.6 | Very low | 41.7 | Very low | 74 Ų | 74 | 122.6 Ų | 122.6 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 148.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E1349 | E1349-G1351 PolarHBondContact O-N 3.36Š|
| 1352 | D | 33.8 | Very low | 41.9 | Very low | 173 Ų | 173 | 118.7 Ų | 118.7 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 140 | -176.7 | -59.4 | -59.7 | 0 | 0 | 0 | 114.4 | | |
| 1353 | Q | 49.6 | Very low | 41.9 | Very low | 193 Ų | 193 | 120.1 Ų | 120.1 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 132.1 | 174.8 | -174.2 | 172 | -24.5 | 0 | 0 | 112.7 | | |
| 1354 | G | 48.3 | Very low | 41.6 | Very low | 54 Ų | 54 | 119.4 Ų | 119.4 | 56% | 0.557 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 169.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1355 | P | 36.5 | Very low | 41.2 | Very low | 64 Ų | 64 | 121.1 Ų | 121.1 | 42% | 0.416 | 79% | 0.789 | S | S | . | * | | | trans | -113.2 | 171.2 | -142.6 | 3.9 | 21.9 | 0 | 0 | 0 | 115.3 | T581 | T581-P1355 VanDerWaalsContact O-CB 3.29Å; T581-P1355 WeakPolarHBondContact O-CB 3.45Å; T581-P1355 WeakPolarHBondContact O-CG 3.34Å |
| 1356 | E | 47.3 | Very low | 41 | Very low | 173 Ų | 173 | 121.4 Ų | 121.4 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | | | trans | -80.9 | 153.6 | -162 | -166.9 | 175.9 | -138.4 | 0 | 0 | 116.4 | T581 | T581-E1356 WeakPolarHBondContact CB-O 3.33Å; T581-E1356 WeakPolarHBondContact CG2-O 3.3Å; T581-E1356 PolarHBondContact OG1-O 2.63Å |
| 1357 | G | 44.3 | Very low | 41.1 | Very low | 55 Ų | 55 | 121 Ų | 121 | 57% | 0.567 | 79% | 0.79 | S | S | * | * | | | trans | -137.1 | 160 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1358 | P | 39.8 | Very low | 40.8 | Very low | 136 Ų | 136 | 126 Ų | 126 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | | -106.4 | 175.2 | -120.9 | 37.7 | -38.3 | 0 | 0 | 0 | 118.3 | | |
| 1359 | S | 42.2 | Very low | 40.5 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -73.3 | 163.3 | -160.4 | -30.8 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1360 | G | 35.9 | Very low | 40.3 | Very low | 81 Ų | 81 | 126 Ų | 126 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | | | trans | -115.8 | 135.9 | 156.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1361 | L | 33.2 | Very low | 39.2 | Very low | 160 Ų | 160 | 130 Ų | 130 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | | | trans | -136.7 | 140.5 | -163.8 | -121.7 | 170.3 | 0 | 0 | 0 | 113.7 | | |
| 1362 | A | 37.2 | Very low | 38.7 | Very low | 95 Ų | 95 | 130 Ų | 130 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | trans | 66.8 | 165.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1363 | A | 34.8 | Very low | 38.6 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | | | cis | -149.2 | 172.6 | 10.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1364 | L | 35.5 | Very low | 37.9 | Very low | 164 Ų | 164 | 131 Ų | 131 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | | | trans | -68.8 | 167.1 | -172.8 | -63.4 | 129.1 | 0 | 0 | 0 | 118.3 | | |
| 1365 | T | 37.7 | Very low | 37.2 | Very low | 149 Ų | 149 | 131.9 Ų | 131.9 | 91% | 0.914 | 80% | 0.803 | S | S | * | * | | | trans | 95.6 | 133.6 | 145.4 | -26.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1366 | G | 38.5 | Very low | 37.3 | Very low | 74 Ų | 74 | 137 Ų | 137 | 76% | 0.763 | 82% | 0.824 | S | S | * | * | | | trans | 140.9 | 129.5 | 158.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1367 | E | 34.1 | Very low | 37 | Very low | 194 Ų | 194 | 134.7 Ų | 134.7 | 91% | 0.907 | 82% | 0.824 | S | S | * | * | | | trans | -95 | 145.1 | -170.2 | -67.9 | -169.3 | 106 | 0 | 0 | 116.9 | | |
| 1368 | Q | 39.8 | Very low | 36.6 | Very low | 196 Ų | 196 | 135.3 Ų | 135.3 | 92% | 0.916 | 83% | 0.831 | S | S | * | * | | | trans | 57.1 | 108.3 | 144.7 | -163 | 175.3 | 57.4 | 0 | 0 | 120.9 | | |
| 1369 | G | 38.6 | Very low | 36.8 | Very low | 74 Ų | 74 | 136.5 Ų | 136.5 | 76% | 0.763 | 83% | 0.83 | S | S | * | * | | | trans | 141.2 | 60 | 148.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 1370 | M | 32.9 | Very low | 36.6 | Very low | 190 Ų | 190 | 139.5 Ų | 139.5 | 94% | 0.936 | 84% | 0.835 | S | S | * | * | | | trans | 35.4 | 93.9 | 158.4 | -56.6 | -169.2 | 88.6 | 0 | 0 | 121 | | |
| 1371 | K | 36.3 | Very low | 36.6 | Very low | 220 Ų | 220 | 138.8 Ų | 138.8 | 96% | 0.957 | 83% | 0.828 | S | S | * | * | | | trans | 60.7 | 115.2 | 141.7 | -171.5 | 175.5 | -176.9 | 170.9 | 0 | 121.3 | | |
| 1372 | G | 35.4 | Very low | 37.2 | Very low | 73 Ų | 73 | 138.9 Ų | 138.9 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | | | trans | 166.7 | 67.8 | 154.1 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 1373 | E | 32.7 | Very low | 37.4 | Very low | 159 Ų | 159 | 140.8 Ų | 140.8 | 74% | 0.743 | 83% | 0.834 | S | S | * | * | | | trans | 53.3 | 130.7 | 150.5 | -83 | -165.9 | -132.8 | 0 | 0 | 125.7 | | |
| 1374 | R | 34.2 | Very low | 37.5 | Very low | 229 Ų | 229 | 139.8 Ų | 139.8 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | | | trans | 75.3 | 131.5 | 138.8 | -157.3 | -172.5 | -54.9 | -153 | 3.8 | 119.2 | | |
| 1375 | G | 34.9 | Very low | 37.7 | Very low | 72 Ų | 72 | 139.7 Ų | 139.7 | 74% | 0.742 | 84% | 0.838 | S | S | * | * | | | cis | -175.9 | 172 | -2.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1376 | I | 37.1 | Very low | 37.6 | Very low | 170 Ų | 170 | 136.3 Ų | 136.3 | 87% | 0.872 | 83% | 0.833 | S | S | * | * | | | trans | -81.7 | -176.2 | -172.9 | 62.7 | 170.2 | 0 | 0 | 0 | 115 | | |
| 1377 | P | 42.4 | Very low | 37.7 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 81% | 0.812 | 84% | 0.835 | S | S | * | * | | | cis | -131.3 | -160.3 | 1 | 46.6 | -28.3 | 0 | 0 | 0 | 113.8 | | |
| 1378 | G | 36 | Very low | 37.6 | Very low | 68 Ų | 68 | 134.3 Ų | 134.3 | 70% | 0.701 | 83% | 0.834 | S | S | * | * | | | cis | 166.6 | 171.1 | -7.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1379 | D | 42.4 | Very low | 37.2 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 87% | 0.866 | 83% | 0.833 | S | S | * | * | | | trans | 64.1 | 150.9 | 157.7 | -59.5 | -4.9 | 0 | 0 | 0 | 127 | | |
| 1380 | I | 38.2 | Very low | 37.3 | Very low | 177 Ų | 177 | 133.7 Ų | 133.7 | 91% | 0.908 | 83% | 0.83 | S | S | * | * | | | trans | 88.8 | 133.9 | 176.2 | -54.3 | 171.9 | 0 | 0 | 0 | 115.5 | | |
| 1381 | G | 35.8 | Very low | 37.4 | Very low | 66 Ų | 66 | 130.8 Ų | 130.8 | 68% | 0.68 | 83% | 0.825 | S | S | * | * | | | cis | 158.8 | 151.9 | -6.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1382 | D | 46.1 | Very low | 38.1 | Very low | 162 Ų | 162 | 126.5 Ų | 126.5 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | | | trans | -82.9 | 158.4 | -171.5 | -43.9 | -78.6 | 0 | 0 | 0 | 115.1 | | |
| 1383 | P | 41.6 | Very low | 38.3 | Very low | 136 Ų | 136 | 125.8 Ų | 125.8 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | | | | -156.4 | 170.4 | 79.8 | 41.7 | -22.3 | 0 | 0 | 0 | 118.1 | | |
| 1384 | G | 37.2 | Very low | 38.5 | Very low | 75 Ų | 75 | 129.6 Ų | 129.6 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | | | trans | 166.5 | 122.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1385 | V | 40.7 | Very low | 38.9 | Very low | 162 Ų | 162 | 126.9 Ų | 126.9 | 98% | 0.982 | 82% | 0.824 | S | S | * | * | | | trans | -131 | 138.5 | 179.2 | -175.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1386 | G | 35.1 | Very low | 39.2 | Very low | 78 Ų | 78 | 127 Ų | 127 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | | | trans | 136.3 | 144.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1387 | G | 40.3 | Very low | 39 | Very low | 78 Ų | 78 | 128.9 Ų | 128.9 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | | | cis | -146 | -151.1 | 8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1388 | V | 32 | Very low | 38.7 | Very low | 148 Ų | 148 | 132.8 Ų | 132.8 | 90% | 0.897 | 84% | 0.835 | S | S | * | * | | | trans | -123.4 | 154.8 | -154 | -162.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1389 | Q | 30.9 | Very low | 38.8 | Very low | 192 Ų | 192 | 133.1 Ų | 133.1 | 90% | 0.897 | 84% | 0.838 | S | S | * | * | | | trans | 92.2 | 144.3 | 156.9 | -150.2 | 164.8 | 17.2 | 0 | 0 | 118.4 | | |
| 1390 | G | 41.4 | Very low | 38.4 | Very low | 66 Ų | 66 | 132.7 Ų | 132.7 | 68% | 0.68 | 84% | 0.841 | S | S | * | * | | | trans | -84.1 | -151.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1391 | P | 34.5 | Very low | 38.3 | Very low | 128 Ų | 128 | 132.9 Ų | 132.9 | 83% | 0.831 | 84% | 0.839 | S | S | * | * | | | cis | -130.4 | -168.4 | 40 | 44.6 | -28 | 0 | 0 | 0 | 113.4 | | |
| 1392 | P | 51.1 | Low | 38.9 | Very low | 130 Ų | 130 | 132.8 Ų | 132.8 | 84% | 0.844 | 84% | 0.837 | S | S | * | * | | | trans | -101 | 170.5 | -163.1 | 39.7 | -35.7 | 0 | 0 | 0 | 116.5 | | |
| 1393 | G | 40.2 | Very low | 38.4 | Very low | 58 Ų | 58 | 131.8 Ų | 131.8 | 60% | 0.598 | 84% | 0.84 | S | S | * | * | | | trans | 115.8 | 129.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1394 | Y | 37.3 | Very low | 38.5 | Very low | 240 Ų | 240 | 133.6 Ų | 133.6 | 94% | 0.941 | 84% | 0.836 | S | S | * | * | | | | 174.4 | 139.6 | 113.3 | -76.8 | -52.7 | 0 | 0 | 0 | 110.2 | | |
| 1395 | D | 41.1 | Very low | 38.6 | Very low | 171 Ų | 171 | 133.4 Ų | 133.4 | 91% | 0.914 | 84% | 0.835 | S | S | * | * | | | trans | -88.7 | 137.9 | -176.4 | -68.3 | -59.1 | 0 | 0 | 0 | 114.2 | | |
| 1396 | G | 41.3 | Very low | 38.4 | Very low | 76 Ų | 76 | 131.2 Ų | 131.2 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | | | trans | 76.6 | 129.7 | 142.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 1397 | E | 33.8 | Very low | 38.5 | Very low | 208 Ų | 208 | 132.9 Ų | 132.9 | 97% | 0.972 | 83% | 0.826 | S | S | * | * | | | trans | -110.8 | 157 | 146.5 | -80.5 | -153.7 | 137.2 | 0 | 0 | 110.8 | | |
| 1398 | K | 35.1 | Very low | 38.4 | Very low | 208 Ų | 208 | 132.3 Ų | 132.3 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | | | trans | -114.1 | 147.5 | -162.2 | -162.2 | 170.6 | -176.3 | 172.1 | 0 | 111 | | |
| 1399 | G | 37.7 | Very low | 38.5 | Very low | 75 Ų | 75 | 132.5 Ų | 132.5 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | | | trans | -63.5 | 159.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1400 | T | 34.9 | Very low | 38.7 | Very low | 152 Ų | 152 | 130.3 Ų | 130.3 | 93% | 0.933 | 81% | 0.809 | S | S | * | * | | | trans | -82.5 | 136.2 | -177.2 | 51.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1401 | Q | 36.3 | Very low | 38.7 | Very low | 182 Ų | 182 | 130.5 Ų | 130.5 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | | | trans | -105 | 150.5 | -174.4 | 178.9 | -172 | 4.3 | 0 | 0 | 113.3 | | |
| 1402 | G | 48.3 | Very low | 38.9 | Very low | 63 Ų | 63 | 130.4 Ų | 130.4 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | | | trans | 111 | 154 | 149.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1403 | P | 36 | Very low | 38.3 | Very low | 142 Ų | 142 | 132.1 Ų | 132.1 | 92% | 0.922 | 81% | 0.81 | S | S | * | * | | | cis | -112.2 | 163.1 | 42.6 | 38.3 | -35.5 | 0 | 0 | 0 | 116.7 | | |
| 1404 | Q | 42.8 | Very low | 38.4 | Very low | 173 Ų | 173 | 132.1 Ų | 132.1 | 81% | 0.808 | 81% | 0.81 | S | S | * | * | | | trans | -120.7 | 147.7 | -178.8 | 171.3 | -171.9 | -8.2 | 0 | 0 | 110.8 | | |
| 1405 | G | 39.4 | Very low | 38.6 | Very low | 72 Ų | 72 | 128 Ų | 128 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | | | trans | 168 | 133.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1406 | S | 36.9 | Very low | 38.6 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | cis | -159.5 | 156.2 | -2.6 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1407 | S | 38.1 | Very low | 38.7 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | trans | -33.6 | 165 | 161.4 | -32 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1408 | G | 37.1 | Very low | 39.2 | Very low | 67 Ų | 67 | 123.9 Ų | 123.9 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | | | cis | -175.2 | -142.7 | 12.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1409 | I | 33.4 | Very low | 39.4 | Very low | 151 Ų | 151 | 123.3 Ų | 123.3 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | | | cis | 175.1 | 148.1 | -13.7 | 34.2 | 165.8 | 0 | 0 | 0 | 105.1 | | |
| 1410 | D | 36.6 | Very low | 39.5 | Very low | 147 Ų | 147 | 123 Ų | 123 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | | | cis | -143.7 | -165.2 | 2.4 | -64.5 | -60.1 | 0 | 0 | 0 | 109.2 | | |
| 1411 | G | 41.9 | Very low | 39.3 | Very low | 69 Ų | 69 | 124.4 Ų | 124.4 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | trans | -161.8 | -57 | 174.7 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 1412 | V | 37.9 | Very low | 39.2 | Very low | 126 Ų | 126 | 121.5 Ų | 121.5 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | | | trans | 52.6 | 110.8 | 165 | -78.8 | 0 | 0 | 0 | 0 | 124.3 | | |
| 1413 | D | 39.1 | Very low | 38.5 | Very low | 166 Ų | 166 | 121.6 Ų | 121.6 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | | | | 75.4 | 144.8 | 112.9 | -70.2 | 18.2 | 0 | 0 | 0 | 129 | | |
| 1414 | G | 41.8 | Very low | 38.2 | Very low | 58 Ų | 58 | 122.5 Ų | 122.5 | 60% | 0.598 | 78% | 0.775 | S | S | * | * | | | trans | 132.7 | 137.9 | 148.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1415 | N | 40.6 | Very low | 37.9 | Very low | 154 Ų | 154 | 123.5 Ų | 123.5 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | cis | -158.7 | 129.3 | 2.9 | -61 | -94 | 0 | 0 | 0 | 108.1 | | |
| 1416 | M | 42.7 | Very low | 38.1 | Very low | 184 Ų | 184 | 123.3 Ų | 123.3 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | | | | 80.2 | 119 | 77.9 | -164.6 | -170.9 | 69 | 0 | 0 | 117.8 | | |
| 1417 | G | 43.5 | Very low | 38 | Very low | 68 Ų | 68 | 123.7 Ų | 123.7 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | trans | -169.3 | 147.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1418 | P | 42.9 | Very low | 38 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | trans | -144.5 | 161.2 | -139.4 | 40.9 | -21.4 | 0 | 0 | 0 | 121.4 | | |
| 1419 | K | 39.4 | Very low | 38 | Very low | 196 Ų | 196 | 124.8 Ų | 124.8 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | | | trans | 64.6 | 160 | 157.5 | -71.2 | 179.6 | 175.4 | -176.3 | 0 | 117.9 | | |
| 1420 | G | 39.4 | Very low | 38.2 | Very low | 69 Ų | 69 | 123.4 Ų | 123.4 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | | | cis | 151.4 | 171 | 2.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1421 | F | 31.4 | Very low | 38 | Very low | 182 Ų | 182 | 124 Ų | 124 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | | | cis | -172.6 | 147.3 | -4 | -130.7 | -78.6 | 0 | 0 | 0 | 109.7 | | |
| 1422 | S | 34.6 | Very low | 37.9 | Very low | 121 Ų | 121 | 124.4 Ų | 124.4 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | trans | 64.1 | 167.1 | 170.2 | -54.6 | 0 | 0 | 0 | 0 | 117.6 | | |
| 1423 | G | 32.9 | Very low | 37.9 | Very low | 65 Ų | 65 | 126.8 Ų | 126.8 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | | | cis | 166.2 | 153.9 | -9.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 1424 | D | 30.8 | Very low | 37.7 | Very low | 161 Ų | 161 | 126.8 Ų | 126.8 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | | | trans | 72.8 | 129.2 | 155.7 | -55.1 | -22.7 | 0 | 0 | 0 | 125.4 | | |
| 1425 | Q | 34.8 | Very low | 37.3 | Very low | 193 Ų | 193 | 126.9 Ų | 126.9 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | | | trans | 73.2 | 128.9 | 149.6 | -69.1 | -177.5 | -8.2 | 0 | 0 | 123.3 | | |
| 1426 | G | 44.5 | Very low | 37.3 | Very low | 68 Ų | 68 | 126.7 Ų | 126.7 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | | | trans | -86.4 | -170.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1427 | P | 34.6 | Very low | 37.1 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | | | | -157.4 | 172.9 | 96.6 | 42.2 | -24 | 0 | 0 | 0 | 117.8 | | |
| 1428 | S | 37.5 | Very low | 36.6 | Very low | 122 Ų | 122 | 126 Ų | 126 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | | | trans | 38.4 | 127.9 | 143.6 | -56.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 1429 | G | 38.1 | Very low | 36.2 | Very low | 81 Ų | 81 | 128.3 Ų | 128.3 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | | | | 117.8 | 124.8 | 123.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1430 | I | 38 | Very low | 36 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 63% | 0.626 | 77% | 0.767 | S | S | * | * | | | trans | -107 | 166.1 | 169 | 54.6 | 167.6 | 0 | 0 | 0 | 112.7 | | |
| 1431 | R | 32.7 | Very low | 35.6 | Very low | 160 Ų | 160 | 126.8 Ų | 126.8 | 60% | 0.604 | 77% | 0.768 | S | S | * | * | | | trans | 80.5 | 129.2 | 175.5 | -179.2 | 175.7 | -93.2 | 101 | 2.8 | 117.6 | G1031 A1032 | G1031-R1431 VanDerWaalsContact C-NH1 3.27Å; G1031-R1431 PolarHBondContact O-NH1 3.45Å; A1032-R1431 PolarHBondContact O-NH1 3.26Å; A1032-R1431 PolarHBondContact O-NH2 2.87Å |
| 1432 | G | 39.6 | Very low | 35.6 | Very low | 76 Ų | 76 | 126.7 Ų | 126.7 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | | | trans | 174.7 | 51.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1433 | Q | 36.5 | Very low | 35.6 | Very low | 177 Ų | 177 | 126.1 Ų | 126.1 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | | | trans | -79.1 | 173.2 | 177.6 | -72.5 | -174.1 | -8 | 0 | 0 | 113.1 | | |
| 1434 | I | 35.7 | Very low | 35.5 | Very low | 165 Ų | 165 | 126.3 Ų | 126.3 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | trans | 82.9 | 126.7 | 168 | -50.1 | 174.1 | 0 | 0 | 0 | 113.8 | | |
| 1435 | G | 34.3 | Very low | 35.8 | Very low | 60 Ų | 60 | 127 Ų | 127 | 62% | 0.619 | 78% | 0.777 | S | S | * | * | | | cis | -179.7 | -142.6 | 1.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1436 | D | 40.7 | Very low | 35.7 | Very low | 150 Ų | 150 | 126.9 Ų | 126.9 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | | | trans | 68.1 | 102.7 | -176.9 | -51.7 | -13.2 | 0 | 0 | 0 | 113.8 | | |
| 1437 | Q | 36.7 | Very low | 35.8 | Very low | 178 Ų | 178 | 126.7 Ų | 126.7 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | | 64.6 | 126.6 | 71.6 | -169.7 | -177.5 | -2.5 | 0 | 0 | 112.4 | | |
| 1438 | G | 33.2 | Very low | 35.8 | Very low | 61 Ų | 61 | 125.2 Ų | 125.2 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | | | cis | 167.7 | -167.6 | 0.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1439 | E | 35.9 | Very low | 36.1 | Very low | 164 Ų | 164 | 129.6 Ų | 129.6 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | trans | 70.9 | 116 | 172.6 | -56.2 | -171.5 | 166.4 | 0 | 0 | 115.6 | | |
| 1440 | M | 34.8 | Very low | 36.2 | Very low | 160 Ų | 160 | 129.5 Ų | 129.5 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | | | | 77.4 | 109.1 | 87.4 | -158.9 | -170 | -44.5 | 0 | 0 | 111.2 | | |
| 1441 | G | 31.5 | Very low | 36.2 | Very low | 72 Ų | 72 | 128.1 Ų | 128.1 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | | | | 119.1 | 165.4 | 67 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 1442 | E | 29.9 | Very low | 36.5 | Very low | 181 Ų | 181 | 129.4 Ų | 129.4 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | | | cis | -151.2 | 166.4 | -4.9 | -66.2 | -173 | 107.8 | 0 | 0 | 109.1 | | |
| 1443 | A | 35.3 | Very low | 36.3 | Very low | 109 Ų | 109 | 129.6 Ų | 129.6 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | | | trans | 61 | 142.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1444 | G | 30.9 | Very low | 36.7 | Very low | 68 Ų | 68 | 127.5 Ų | 127.5 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | cis | 134.8 | 128.5 | -5.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1445 | I | 35.8 | Very low | 37 | Very low | 176 Ų | 176 | 125.5 Ų | 125.5 | 90% | 0.903 | 79% | 0.788 | S | S | * | * | | | trans | -159.8 | 158.9 | 160.9 | 30.7 | 171.9 | 0 | 0 | 0 | 109.4 | | |
| 1446 | E | 34.2 | Very low | 36.8 | Very low | 190 Ų | 190 | 130.3 Ų | 130.3 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | | | trans | -73.5 | 169.7 | -176.3 | -65.6 | 152.8 | 105.2 | 0 | 0 | 114 | | |
| 1447 | G | 45.6 | Very low | 36.3 | Very low | 65 Ų | 65 | 134.8 Ų | 134.8 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | | | trans | -120.4 | 172.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1448 | P | 35.9 | Very low | 36.2 | Very low | 92 Ų | 92 | 130.1 Ų | 130.1 | 60% | 0.597 | 80% | 0.804 | S | S | * | * | | | trans | -132.7 | 169.7 | 170.6 | 42 | -30.3 | 0 | 0 | 0 | 115.7 | I1463 | P1448-I1463 HydrophobicContact CB-CB 4.38Å; P1448-I1463 HydrophobicContact CB-CD1 3.8Å; P1448-I1463 HydrophobicContact CB-CG1 3.64Å; P1448-I1463 HydrophobicContact CB-CG2 4.18Å; P1448-I1463 HydrophobicContact CG-CD1 3.87Å; P1448-I1463 HydrophobicContact CG-CG1 3.82Å |
| 1449 | K | 43.3 | Very low | 36.5 | Very low | 215 Ų | 215 | 130.8 Ų | 130.8 | 94% | 0.935 | 81% | 0.811 | S | S | * | * | | | trans | -93.5 | 147.6 | 159.8 | -76.2 | -179 | 172.7 | 178.8 | 0 | 110.4 | | |
| 1450 | G | 40.9 | Very low | 36.7 | Very low | 79 Ų | 79 | 130.7 Ų | 130.7 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | | | trans | 166.3 | 82 | 170.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1451 | A | 36.1 | Very low | 37.1 | Very low | 92 Ų | 92 | 125.9 Ų | 125.9 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | | | trans | 20 | 131.6 | 152.5 | 0 | 0 | 0 | 0 | 0 | 124.9 | | |
| 1452 | Q | 39.3 | Very low | 37.2 | Very low | 188 Ų | 188 | 131.6 Ų | 131.6 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | | | trans | 67.4 | 156.8 | 136.4 | -68.1 | -175.6 | -0.3 | 0 | 0 | 122.5 | | |
| 1453 | G | 36.5 | Very low | 37.7 | Very low | 80 Ų | 80 | 128.7 Ų | 128.7 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | -158.6 | 115.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1454 | V | 43.9 | Very low | 38 | Very low | 132 Ų | 132 | 126.9 Ų | 126.9 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | | | trans | -113.5 | 131.3 | 176.3 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | I1456 | V1454-I1456 PolarHBondContact O-N 2.86Š|
| 1455 | S | 42.7 | Very low | 38.4 | Very low | 123 Ų | 123 | 131 Ų | 131 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -87.2 | 66 | -170.3 | -164.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1456 | I | 29.9 | Very low | 38.8 | Very low | 161 Ų | 161 | 128.4 Ų | 128.4 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | S | Bend | | -151.3 | 121.2 | 127.1 | -45.1 | -176.5 | 0 | 0 | 0 | 109.3 | V1454 | V1454-I1456 PolarHBondContact O-N 2.86Š|
| 1457 | R | 31 | Very low | 39.1 | Very low | 244 Ų | 244 | 123.3 Ų | 123.3 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 69.2 | 74 | 161.2 | -159.8 | -171 | -153.3 | 170.6 | 7.5 | 118.8 | | |
| 1458 | G | 34.1 | Very low | 38.4 | Very low | 81 Ų | 81 | 128.4 Ų | 128.4 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | | | trans | 85.5 | 139.5 | 148.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1459 | G | 38.3 | Very low | 38.2 | Very low | 75 Ų | 75 | 130.7 Ų | 130.7 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | | | cis | -179.3 | 156.1 | -4.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1460 | V | 41.9 | Very low | 38 | Very low | 161 Ų | 161 | 124.5 Ų | 124.5 | 98% | 0.976 | 81% | 0.811 | S | S | * | * | | | trans | -69.9 | 132.7 | 177.5 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1461 | G | 42.8 | Very low | 37.6 | Very low | 60 Ų | 60 | 125.3 Ų | 125.3 | 62% | 0.619 | 81% | 0.81 | S | S | * | * | | | trans | 150 | 143.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1462 | E | 34.1 | Very low | 37.9 | Very low | 192 Ų | 192 | 129.9 Ų | 129.9 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | | | cis | -161.7 | -179.8 | -10.7 | -140.9 | 162 | -146.9 | 0 | 0 | 108.8 | | |
| 1463 | I | 39.8 | Very low | 38.1 | Very low | 120 Ų | 120 | 123.8 Ų | 123.8 | 62% | 0.615 | 81% | 0.808 | S | S | * | * | | | trans | -65.4 | 139.1 | 179.3 | -39.5 | -172.3 | 0 | 0 | 0 | 110.4 | P1448 | P1448-I1463 HydrophobicContact CB-CB 4.38Å; P1448-I1463 HydrophobicContact CB-CD1 3.8Å; P1448-I1463 HydrophobicContact CB-CG1 3.64Å; P1448-I1463 HydrophobicContact CB-CG2 4.18Å; P1448-I1463 HydrophobicContact CG-CD1 3.87Å; P1448-I1463 HydrophobicContact CG-CG1 3.82Å |
| 1464 | G | 41.9 | Very low | 38.3 | Very low | 70 Ų | 70 | 129.9 Ų | 129.9 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | | | trans | -174.6 | 68.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1465 | D | 39.1 | Very low | 38.4 | Very low | 155 Ų | 155 | 132.8 Ų | 132.8 | 83% | 0.829 | 82% | 0.82 | S | S | * | * | | | trans | -72.6 | 157.1 | 141 | -68.1 | -53.6 | 0 | 0 | 0 | 108.9 | | |
| 1466 | P | 44.1 | Very low | 38.6 | Very low | 122 Ų | 122 | 130 Ų | 130 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | | | cis | -126.6 | 173.4 | 5.8 | 41 | -27 | 0 | 0 | 0 | 114.7 | | |
| 1467 | G | 40.1 | Very low | 39 | Very low | 83 Ų | 83 | 129.7 Ų | 129.7 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | | | trans | -151.8 | 96 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 1468 | E | 31.6 | Very low | 40 | Very low | 172 Ų | 172 | 124.4 Ų | 124.4 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -75.1 | 144.1 | -175.8 | -83.5 | -168.8 | 114.6 | 0 | 0 | 114.9 | | |
| 1469 | N | 30.7 | Very low | 40.6 | Very low | 139 Ų | 139 | 123.3 Ų | 123.3 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | | | trans | 66.2 | 92.9 | 147.9 | -62.8 | -35.4 | 0 | 0 | 0 | 119.7 | | |
| 1470 | G | 40.2 | Very low | 40.6 | Very low | 86 Ų | 86 | 125.8 Ų | 125.8 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | trans | -135.9 | 91 | 146.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1471 | A | 32.3 | Very low | 40.9 | Very low | 96 Ų | 96 | 126.1 Ų | 126.1 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | | | trans | -95.3 | 175.6 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1472 | L | 42.3 | Very low | 40.8 | Very low | 187 Ų | 187 | 126.5 Ų | 126.5 | 98% | 0.979 | 80% | 0.799 | S | S | * | * | | | trans | 85.3 | 121.6 | 179 | -151.9 | 75.2 | 0 | 0 | 0 | 114.2 | | |
| 1473 | G | 42.6 | Very low | 40.9 | Very low | 60 Ų | 60 | 126.6 Ų | 126.6 | 62% | 0.619 | 80% | 0.799 | S | S | * | * | | | cis | -166.7 | -176.1 | -1.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q1475 | G1473-Q1475 PolarHBondContact O-N 3.24Š|
| 1474 | E | 41.6 | Very low | 41.1 | Very low | 208 Ų | 208 | 128 Ų | 128 | 97% | 0.972 | 81% | 0.813 | S | S | * | * | | | trans | -65.2 | 121.9 | 177.2 | -66.4 | 170.1 | 139.4 | 0 | 0 | 110.7 | | |
| 1475 | Q | 45.2 | Very low | 41.2 | Very low | 194 Ų | 194 | 127.3 Ų | 127.3 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | | | trans | -160.7 | 115.1 | 174.3 | -179.9 | -178.9 | 1.4 | 0 | 0 | 106.5 | G1473 | G1473-Q1475 PolarHBondContact O-N 3.24Š|
| 1476 | G | 47.8 | Very low | 41 | Very low | 63 Ų | 63 | 127.3 Ų | 127.3 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | | | cis | 158 | 157.8 | 0.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 1477 | D | 36.5 | Very low | 40.7 | Very low | 156 Ų | 156 | 129.8 Ų | 129.8 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -55.2 | 140.9 | 175.2 | -58 | -66.2 | 0 | 0 | 0 | 110.1 | G1479 | D1477-G1479 PolarHBondContact O-N 3.08Š|
| 1478 | P | 53.9 | Low | 40.7 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | | | trans | -53.8 | 109.7 | 171.7 | -25.2 | 35.1 | 0 | 0 | 0 | 109.1 | | |
| 1479 | G | 46.8 | Very low | 40.7 | Very low | 59 Ų | 59 | 128.1 Ų | 128.1 | 61% | 0.608 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -61 | 153.3 | -175 | 0 | 0 | 0 | 0 | 0 | 111.3 | D1477 | D1477-G1479 PolarHBondContact O-N 3.08Š|
| 1480 | P | 38.3 | Very low | 41.2 | Very low | 126 Ų | 126 | 130 Ų | 130 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 148.9 | 173.2 | 26.9 | -35.4 | 0 | 0 | 0 | 110.2 | G1482 | P1480-G1482 PolarHBondContact O-N 3.12Å; P1480-G1482 VanDerWaalsContact O-N 3.1Å |
| 1481 | D | 47.2 | Very low | 41.2 | Very low | 169 Ų | 169 | 128.4 Ų | 128.4 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 119.9 | 178.4 | -87.1 | -47 | 0 | 0 | 0 | 110.3 | E1483 | D1481-E1483 PolarHBondContact O-N 2.03Š|
| 1482 | G | 41.3 | Very low | 41.3 | Very low | 67 Ų | 67 | 132 Ų | 132 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 126.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P1480 V1484 | P1480-G1482 PolarHBondContact O-N 3.12Å; P1480-G1482 VanDerWaalsContact O-N 3.1Å; G1482-V1484 PolarHBondContact O-N 3.33Å |
| 1483 | E | 35.5 | Very low | 41.1 | Very low | 194 Ų | 194 | 131.6 Ų | 131.6 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 130.4 | 174.5 | -62.8 | -176.3 | 141.8 | 0 | 0 | 111.5 | D1481 G1485 | D1481-E1483 PolarHBondContact O-N 2.03Å; E1483-G1485 PolarHBondContact O-N 2.96Å |
| 1484 | V | 44.9 | Very low | 40.9 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 90% | 0.903 | 79% | 0.787 | S | S | * | * | | | trans | -79.3 | 101.7 | 173.6 | 177.3 | 0 | 0 | 0 | 0 | 108.3 | G1482 | G1482-V1484 PolarHBondContact O-N 3.33Š|
| 1485 | G | 43.1 | Very low | 40.5 | Very low | 57 Ų | 57 | 129.4 Ų | 129.4 | 59% | 0.588 | 78% | 0.777 | S | S | * | * | | | trans | -77.1 | 169.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | E1483 | E1483-G1485 PolarHBondContact O-N 2.96Š|
| 1486 | D | 35.2 | Very low | 40 | Very low | 154 Ų | 154 | 128.5 Ų | 128.5 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | | | trans | 56.6 | 95.2 | 155.1 | -59.1 | -15.8 | 0 | 0 | 0 | 119.3 | | |
| 1487 | N | 38.3 | Very low | 39.3 | Very low | 175 Ų | 175 | 129.4 Ų | 129.4 | 94% | 0.936 | 78% | 0.779 | S | S | * | * | | | | -139.9 | 147.3 | 101.6 | -76.7 | -87 | 0 | 0 | 0 | 108.6 | | |
| 1488 | G | 38.6 | Very low | 39.4 | Very low | 63 Ų | 63 | 131.1 Ų | 131.1 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | | | cis | 148.7 | 96.6 | -0.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1489 | D | 32.9 | Very low | 39.1 | Very low | 156 Ų | 156 | 130.7 Ų | 130.7 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | | | trans | 40.3 | 116.6 | 161.1 | -57.4 | -32.5 | 0 | 0 | 0 | 120.7 | | |
| 1490 | I | 40.6 | Very low | 38.7 | Very low | 180 Ų | 180 | 131.3 Ų | 131.3 | 92% | 0.923 | 79% | 0.786 | S | S | * | * | | | | -126.9 | 112.8 | 107.5 | -62.8 | -172.5 | 0 | 0 | 0 | 108.6 | | |
| 1491 | G | 39.8 | Very low | 38.6 | Very low | 51 Ų | 51 | 133 Ų | 133 | 53% | 0.526 | 79% | 0.787 | S | S | . | * | | | trans | -116.7 | -167.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1492 | E | 34.5 | Very low | 38.1 | Very low | 171 Ų | 171 | 131.8 Ų | 131.8 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | | | trans | 68.1 | 144.5 | -172.6 | -49.7 | -161.2 | 168.2 | 0 | 0 | 114.5 | | |
| 1493 | K | 38.9 | Very low | 37.8 | Very low | 179 Ų | 179 | 137.4 Ų | 137.4 | 78% | 0.778 | 79% | 0.788 | S | S | * | * | | | cis | -163.8 | 148.4 | 28.6 | -154.3 | -177.4 | -152 | 77 | 0 | 110 | | |
| 1494 | G | 37.7 | Very low | 37.9 | Very low | 60 Ų | 60 | 131.6 Ų | 131.6 | 62% | 0.619 | 78% | 0.78 | S | S | * | * | | | cis | 149.9 | 110.2 | -7.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1495 | E | 34.1 | Very low | 37.4 | Very low | 163 Ų | 163 | 133 Ų | 133 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | trans | 68 | 153.8 | 165.2 | -52 | -152.9 | 154.8 | 0 | 0 | 118.4 | | |
| 1496 | K | 35.2 | Very low | 37.3 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | | | cis | -167.1 | 156 | -14.4 | -110.9 | 173.4 | -167 | 146.4 | 0 | 109.2 | | |
| 1497 | G | 32.2 | Very low | 37.8 | Very low | 82 Ų | 82 | 137.3 Ų | 137.3 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | | | trans | 124.7 | 125.9 | 146.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1498 | Q | 38.5 | Very low | 37.6 | Very low | 192 Ų | 192 | 138.5 Ų | 138.5 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | | | trans | -96.9 | 169.9 | 161.3 | -87.1 | -175.7 | -6.1 | 0 | 0 | 110.5 | | |
| 1499 | P | 47.7 | Very low | 38.3 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | | | cis | -137.2 | 166.4 | -24.7 | 34.4 | -16.9 | 0 | 0 | 0 | 115.1 | | |
| 1500 | G | 39.2 | Very low | 38.7 | Very low | 72 Ų | 72 | 137.9 Ų | 137.9 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | | | trans | 133.1 | 120.9 | 142.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 1501 | L | 34.8 | Very low | 38.5 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | | | trans | 73.9 | 127.4 | 155 | -98.3 | 69 | 0 | 0 | 0 | 122.7 | | |
| 1502 | L | 36.5 | Very low | 39.1 | Very low | 142 Ų | 142 | 142.1 Ų | 142.1 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | | | trans | 74.2 | 98 | 146.7 | -63.6 | 169.3 | 0 | 0 | 0 | 122.8 | | |
| 1503 | E | 35.2 | Very low | 39.5 | Very low | 186 Ų | 186 | 137.1 Ų | 137.1 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | | | | 61 | 121.5 | 117.4 | -161.6 | 168.6 | -149.2 | 0 | 0 | 124 | | |
| 1504 | G | 38.8 | Very low | 39.2 | Very low | 71 Ų | 71 | 137.8 Ų | 137.8 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | | | trans | 94.6 | 143.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1505 | E | 34.1 | Very low | 39.8 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | | | cis | -152.5 | 140.6 | -7.3 | -75.9 | -163.3 | 96.2 | 0 | 0 | 113.2 | | |
| 1506 | R | 40.4 | Very low | 40.7 | Very low | 233 Ų | 233 | 140.5 Ų | 140.5 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | | | trans | 30.9 | 132.6 | 140 | -165.3 | -175.4 | -57.4 | -167 | 2.8 | 124.6 | | |
| 1507 | G | 46.2 | Very low | 41.1 | Very low | 69 Ų | 69 | 136 Ų | 136 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | | | trans | 108.6 | 146.3 | 141.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1508 | E | 35.1 | Very low | 42.2 | Very low | 200 Ų | 200 | 137.5 Ų | 137.5 | 94% | 0.935 | 78% | 0.784 | S | S | * | * | | | cis | -132.5 | -164.7 | 3.7 | -65.1 | -170.8 | 130.9 | 0 | 0 | 112.2 | | |
| 1509 | V | 53.1 | Low | 43 | Very low | 146 Ų | 146 | 129.6 Ų | 129.6 | 89% | 0.885 | 75% | 0.754 | S | S | * | * | | | trans | -123.3 | 150.2 | -156.5 | 177.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1510 | G | 40.4 | Very low | 42.6 | Very low | 61 Ų | 61 | 128.8 Ų | 128.8 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | | | trans | 174.7 | 136.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 1511 | D | 36.6 | Very low | 43.4 | Very low | 166 Ų | 166 | 132 Ų | 132 | 89% | 0.888 | 74% | 0.744 | S | S | * | * | | | cis | -133.9 | 174.8 | -3.2 | -73.6 | -46.1 | 0 | 0 | 0 | 110 | | |
| 1512 | V | 53.1 | Low | 44.6 | Very low | 153 Ų | 153 | 126.4 Ų | 126.4 | 93% | 0.927 | 73% | 0.725 | S | S | * | * | | | trans | -103.5 | 123.4 | -175.9 | 176.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1513 | G | 42.2 | Very low | 45.1 | Very low | 66 Ų | 66 | 125.4 Ų | 125.4 | 68% | 0.68 | 73% | 0.727 | S | S | * | * | | | trans | 173.4 | 139.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1514 | E | 32.7 | Very low | 46.3 | Very low | 194 Ų | 194 | 122.2 Ų | 122.2 | 91% | 0.907 | 72% | 0.723 | S | S | * | * | | | cis | -114 | -168.3 | -8.4 | -63.5 | -163.3 | 117.3 | 0 | 0 | 110.9 | G1516 | E1514-G1516 PolarHBondContact O-N 2.91Š|
| 1515 | R | 49.8 | Very low | 47.4 | Very low | 224 Ų | 224 | 121.6 Ų | 121.6 | 85% | 0.845 | 72% | 0.716 | S | S | * | * | | | trans | -72.2 | 99 | 175.5 | 179 | -177.1 | -74.4 | 166.8 | -2.8 | 109.3 | K382 | K382-R1515 PolarHBondContact NZ-O 3.35Š|
| 1516 | G | 53.5 | Low | 48.3 | Very low | 56 Ų | 56 | 119.4 Ų | 119.4 | 58% | 0.577 | 72% | 0.717 | S | S | * | * | | | trans | -43 | 144.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E1514 | E1514-G1516 PolarHBondContact O-N 2.91Š|
| 1517 | D | 43.7 | Very low | 48.8 | Very low | 79 Ų | 79 | 115.7 Ų | 115.7 | 42% | 0.422 | 71% | 0.713 | S | S | . | * | | | trans | -77.1 | 136.1 | -163.7 | -60.7 | -65.8 | 0 | 0 | 0 | 112.1 | P381 K382 G1519 | P381-D1517 HydrophobicContact CG-CB 4.49Å; P381-D1517 WeakPolarHBondContact O-CB 3.34Å; K382-D1517 HydrophobicContact CB-CB 3.69Å; K382-D1517 VanDerWaalsContact CB-OD1 3.24Å; K382-D1517 WeakPolarHBondContact CB-OD1 3.34Å; K382-D1517 HydrophobicContact CD-CB 4.33Å; K382-D1517 WeakPolarHBondContact CD-OD1 3.36Å; K382-D1517 VanDerWaalsContact CE-OD1 3.3Å; K382-D1517 WeakPolarHBondContact CE-OD1 3.21Å; K382-D1517 HydrophobicContact CG-CB 3.69Å; K382-D1517 WeakPolarHBondContact CG-OD1 3.47Å; K382-D1517 IonicContact NZ-OD1 3.94Å; K382-D1517 PolarHBondContact NZ-OD1 3.34Å; D1517-G1519 PolarHBondContact O-N 2.85Å |
| 1518 | T | 53.9 | Low | 49.3 | Very low | 114 Ų | 114 | 115.3 Ų | 115.3 | 70% | 0.699 | 71% | 0.709 | S | S | * | * | | | trans | -63.2 | 110.6 | -171.8 | -54.1 | 0 | 0 | 0 | 0 | 108.8 | P381 | P381-T1518 WeakPolarHBondContact CG-O 3.44Š|
| 1519 | G | 55.8 | Low | 50.1 | Low | 26 Ų | 26 | 113.7 Ų | 113.7 | 27% | 0.268 | 71% | 0.707 | S | S | . | * | | | trans | -48.6 | 139.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F380 D1517 V1521 | F380-G1519 VanDerWaalsContact CE2-CA 3.48Å; F380-G1519 VanDerWaalsContact CZ-CA 3.44Å; D1517-G1519 PolarHBondContact O-N 2.85Å; G1519-V1521 PolarHBondContact O-N 3.34Å |
| 1520 | E | 39.7 | Very low | 50.3 | Low | 107 Ų | 107 | 113 Ų | 113 | 50% | 0.5 | 70% | 0.703 | S | S | . | * | | | trans | -53.7 | 133.8 | 175 | -57 | 170.2 | 127.4 | 0 | 0 | 108.5 | F380 P381 G1522 | F380-E1520 HydrophobicContact CD1-CB 4.02Å; F380-E1520 HydrophobicContact CD1-CG 4.16Å; F380-E1520 VanDerWaalsContact CD1-N 3.3Å; F380-E1520 HydrophobicContact CE1-CB 4.17Å; F380-E1520 VanDerWaalsContact CE1-N 3.26Å; F380-E1520 VanDerWaalsContact CE1-O 3.3Å; F380-E1520 WeakPolarHBondContact CE1-O 3.45Å; F380-E1520 PolarHBondContact N-OE2 2.87Å; P381-E1520 HydrophobicContact CB-CG 3.52Å; P381-E1520 HydrophobicContact CG-CG 3.79Å; E1520-G1522 PolarHBondContact O-N 2.65Å |
| 1521 | V | 56.2 | Low | 51.2 | Low | 139 Ų | 139 | 112.8 Ų | 112.8 | 84% | 0.842 | 70% | 0.701 | S | S | * | * | | | trans | -64.3 | 113.2 | 170.3 | -179.6 | 0 | 0 | 0 | 0 | 106.1 | G1519 | G1519-V1521 PolarHBondContact O-N 3.34Š|
| 1522 | G | 59.5 | Low | 52 | Low | 44 Ų | 44 | 110.8 Ų | 110.8 | 45% | 0.454 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -52.6 | 143.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | E1520 | E1520-G1522 PolarHBondContact O-N 2.65Š|
| 1523 | P | 46.4 | Very low | 52.2 | Low | 122 Ų | 122 | 111.4 Ų | 111.4 | 79% | 0.792 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 131.4 | -169.8 | 21 | -33.5 | 0 | 0 | 0 | 110 | G1525 | P1523-G1525 PolarHBondContact O-N 3.02Š|
| 1524 | P | 61 | Low | 53.1 | Low | 119 Ų | 119 | 111.2 Ų | 111.2 | 77% | 0.773 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 132 | 174.9 | -29.4 | 35.7 | 0 | 0 | 0 | 109.9 | | |
| 1525 | G | 62.4 | Low | 53.9 | Low | 58 Ų | 58 | 111.6 Ų | 111.6 | 60% | 0.598 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 145.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | P1523 I1527 | P1523-G1525 PolarHBondContact O-N 3.02Å; G1525-I1527 PolarHBondContact O-N 2.97Å; G1525-I1527 VanDerWaalsContact O-N 3.08Å |
| 1526 | P | 51.8 | Low | 54.4 | Low | 131 Ų | 131 | 107 Ų | 107 | 85% | 0.851 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -52 | 124.3 | -179.1 | 22.7 | -33.6 | 0 | 0 | 0 | 108.8 | G1528 | P1526-G1528 PolarHBondContact O-N 3.32Š|
| 1527 | I | 52.6 | Low | 54.4 | Low | 155 Ų | 155 | 107.5 Ų | 107.5 | 80% | 0.795 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 117.8 | 177.9 | -63.1 | 174.7 | 0 | 0 | 0 | 106.1 | G1525 D1529 | G1525-I1527 PolarHBondContact O-N 2.97Å; G1525-I1527 VanDerWaalsContact O-N 3.08Å; I1527-D1529 PolarHBondContact O-N 2.89Å |
| 1528 | G | 56.8 | Low | 54.6 | Low | 61 Ų | 61 | 113 Ų | 113 | 63% | 0.629 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 139.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | P1526 V1530 | P1526-G1528 PolarHBondContact O-N 3.32Å; G1528-V1530 PolarHBondContact O-N 2.77Å; G1528-V1530 VanDerWaalsContact O-N 3.13Å |
| 1529 | D | 50.6 | Low | 54.3 | Low | 166 Ų | 166 | 117.3 Ų | 117.3 | 89% | 0.888 | 71% | 0.714 | S | S | * | * | | | trans | -40.7 | 120.4 | -177.1 | -54.6 | -51.7 | 0 | 0 | 0 | 110.6 | I1527 G1531 | I1527-D1529 PolarHBondContact O-N 2.89Å; D1529-G1531 PolarHBondContact O-N 3.42Å |
| 1530 | V | 57 | Low | 53.7 | Low | 132 Ų | 132 | 119.3 Ų | 119.3 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 117.5 | -176.3 | 176.8 | 0 | 0 | 0 | 0 | 108.1 | G1528 | G1528-V1530 PolarHBondContact O-N 2.77Å; G1528-V1530 VanDerWaalsContact O-N 3.13Å |
| 1531 | G | 60.7 | Low | 53.7 | Low | 56 Ų | 56 | 122.1 Ų | 122.1 | 58% | 0.577 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -54 | 129.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | D1529 K1533 | D1529-G1531 PolarHBondContact O-N 3.42Å; G1531-K1533 PolarHBondContact O-N 2.86Å; G1531-K1533 VanDerWaalsContact O-N 3.15Å |
| 1532 | P | 52.5 | Low | 53.1 | Low | 125 Ų | 125 | 121.1 Ų | 121.1 | 81% | 0.812 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 126.8 | -170.9 | 21.7 | -33.6 | 0 | 0 | 0 | 109.3 | G1534 | P1532-G1534 PolarHBondContact O-N 2.77Å; P1532-G1534 VanDerWaalsContact O-N 3.07Å |
| 1533 | K | 56.7 | Low | 52.1 | Low | 166 Ų | 166 | 121.6 Ų | 121.6 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | | | trans | -39.6 | 119.4 | -174.2 | -172.6 | -163.3 | -178.4 | -153 | 0 | 108.9 | G1531 K1535 D1536 | G1531-K1533 PolarHBondContact O-N 2.86Å; G1531-K1533 VanDerWaalsContact O-N 3.15Å; K1533-K1535 PolarHBondContact O-N 3.26Å; K1533-D1536 IonicContact NZ-OD1 2.69Å; K1533-D1536 PolarHBondContact NZ-OD1 3.19Å |
| 1534 | G | 62.7 | Low | 51.7 | Low | 62 Ų | 62 | 124.5 Ų | 124.5 | 64% | 0.639 | 75% | 0.751 | S | S | * | * | | | trans | -50.3 | 128.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | P1532 D1536 | P1532-G1534 PolarHBondContact O-N 2.77Å; P1532-G1534 VanDerWaalsContact O-N 3.07Å; G1534-D1536 PolarHBondContact O-N 2.99Å |
| 1535 | K | 48.3 | Very low | 50.8 | Low | 202 Ų | 202 | 122.2 Ų | 122.2 | 88% | 0.878 | 74% | 0.735 | S | S | * | * | | | trans | -42.7 | 131.4 | -178.3 | -44.2 | -179.6 | -173 | -173.8 | 0 | 108.3 | K1533 G1537 | K1533-K1535 PolarHBondContact O-N 3.26Å; K1535-G1537 PolarHBondContact O-N 3.1Å |
| 1536 | D | 59.9 | Low | 49.9 | Very low | 127 Ų | 127 | 125.6 Ų | 125.6 | 68% | 0.679 | 74% | 0.74 | S | S | * | * | | | trans | -49 | 122.6 | 175.2 | -63.6 | -32.6 | 0 | 0 | 0 | 107.6 | K1533 G1534 E1538 | K1533-D1536 IonicContact NZ-OD1 2.69Å; K1533-D1536 PolarHBondContact NZ-OD1 3.19Å; G1534-D1536 PolarHBondContact O-N 2.99Å; D1536-E1538 PolarHBondContact O-N 2.79Å |
| 1537 | G | 54.2 | Low | 49.6 | Very low | 67 Ų | 67 | 130.9 Ų | 130.9 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | | | trans | -54 | 136.5 | -174 | 0 | 0 | 0 | 0 | 0 | 109 | K1535 K1539 | K1535-G1537 PolarHBondContact O-N 3.1Å; G1537-K1539 PolarHBondContact O-N 3.25Å |
| 1538 | E | 48.7 | Very low | 49.8 | Very low | 193 Ų | 193 | 127.2 Ų | 127.2 | 90% | 0.902 | 73% | 0.732 | S | S | * | * | | | trans | -42.9 | 120 | -180 | -69.3 | -173.2 | 148.5 | 0 | 0 | 108.4 | D1536 G1540 | D1536-E1538 PolarHBondContact O-N 2.79Å; E1538-G1540 WeakPolarHBondContact O-CA 3.08Å; E1538-G1540 PolarHBondContact O-N 3.29Å |
| 1539 | K | 46.8 | Very low | 50.8 | Low | 206 Ų | 206 | 125.6 Ų | 125.6 | 90% | 0.896 | 71% | 0.712 | S | S | * | * | | | trans | -47.4 | 108 | -179.8 | -85.3 | -172.1 | 176.2 | -178.7 | 0 | 106.7 | G1537 Q1541 | G1537-K1539 PolarHBondContact O-N 3.25Å; K1539-Q1541 PolarHBondContact O-N 2.94Å; K1539-Q1541 VanDerWaalsContact O-N 3.1Å |
| 1540 | G | 43.1 | Very low | 52.7 | Low | 67 Ų | 67 | 120.1 Ų | 120.1 | 69% | 0.691 | 68% | 0.682 | S | S | * | * | | | trans | -51 | 125.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | E1538 | E1538-G1540 WeakPolarHBondContact O-CA 3.08Å; E1538-G1540 PolarHBondContact O-N 3.29Å |
| 1541 | Q | 39.6 | Very low | 54.5 | Low | 166 Ų | 166 | 117.7 Ų | 117.7 | 78% | 0.776 | 66% | 0.664 | S | S | * | * | | | trans | -40.7 | 121.1 | -171.8 | -75.6 | -174.1 | -17.8 | 0 | 0 | 108.1 | K1539 G1543 | K1539-Q1541 PolarHBondContact O-N 2.94Å; K1539-Q1541 VanDerWaalsContact O-N 3.1Å; Q1541-G1543 VanDerWaalsContact O-CA 3.28Å; Q1541-G1543 WeakPolarHBondContact O-CA 3.43Å; Q1541-G1543 PolarHBondContact O-N 3.08Å |
| 1542 | P | 42.9 | Very low | 56.2 | Low | 119 Ų | 119 | 115.2 Ų | 115.2 | 77% | 0.773 | 64% | 0.637 | S | S | * | * | | | trans | -47.2 | 113.2 | -176.9 | -29.1 | 34.6 | 0 | 0 | 0 | 106.9 | Q1544 | P1542-Q1544 PolarHBondContact O-N 3.01Š|
| 1543 | G | 40 | Very low | 58.3 | Low | 54 Ų | 54 | 109.3 Ų | 109.3 | 56% | 0.557 | 60% | 0.599 | S | S | * | * | | | trans | -51.4 | 130.8 | -156.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | Q1541 T1545 | Q1541-G1543 VanDerWaalsContact O-CA 3.28Å; Q1541-G1543 WeakPolarHBondContact O-CA 3.43Å; Q1541-G1543 PolarHBondContact O-N 3.08Å; G1543-T1545 PolarHBondContact O-N 3.37Å; G1543-T1545 PolarHBondContact O-OG1 2.85Å |
| 1544 | Q | 37.4 | Very low | 60.2 | Low | 182 Ų | 182 | 102.7 Ų | 102.7 | 85% | 0.85 | 57% | 0.569 | S | S | * | * | | | trans | -72.2 | 65.5 | 178.3 | -77.6 | -166 | -19.5 | 0 | 0 | 109.9 | P1542 N1546 | P1542-Q1544 PolarHBondContact O-N 3.01Å; Q1544-N1546 VanDerWaalsContact C-N 3.26Å; Q1544-N1546 PolarHBondContact O-N 3.34Å |
| 1545 | T | 41.1 | Very low | 61.7 | Low | 72 Ų | 72 | 100.6 Ų | 100.6 | 44% | 0.442 | 54% | 0.543 | S | S | . | . | | | trans | -57.2 | 99.2 | 152.4 | 54 | 0 | 0 | 0 | 0 | 105.5 | G1543 Y1547 S1549 | G1543-T1545 PolarHBondContact O-N 3.37Å; G1543-T1545 PolarHBondContact O-OG1 2.85Å; T1545-Y1547 PolarHBondContact O-N 3.02Å; T1545-S1549 VanDerWaalsContact CG2-OG 3.3Å; T1545-S1549 WeakPolarHBondContact CG2-OG 3.41Å |
| 1546 | N | 44.3 | Very low | 63.9 | Low | 128 Ų | 128 | 92.7 Ų | 92.7 | 68% | 0.684 | 51% | 0.508 | S | S | * | . | | | trans | -44.6 | 137.3 | 139.5 | -67.3 | -62.7 | 0 | 0 | 0 | 106.2 | Q1544 S1548 | Q1544-N1546 VanDerWaalsContact C-N 3.26Å; Q1544-N1546 PolarHBondContact O-N 3.34Å; N1546-S1548 PolarHBondContact O-N 2.83Å; N1546-S1548 PolarHBondContact O-OG 3.11Å |
| 1547 | Y | 46 | Very low | 65.4 | Low | 242 Ų | 242 | 87.1 Ų | 87.1 | 95% | 0.949 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 41.4 | -175.7 | -70.3 | -91.7 | 0 | 0 | 0 | 113.2 | T1545 | T1545-Y1547 PolarHBondContact O-N 3.02Š|
| 1548 | S | 56.2 | Low | 67.3 | Low | 78 Ų | 78 | 84.9 Ų | 84.9 | 55% | 0.545 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -15.1 | 178.9 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | N1546 | N1546-S1548 PolarHBondContact O-N 2.83Å; N1546-S1548 PolarHBondContact O-OG 3.11Å |
| 1549 | S | 77.5 | Confident | 69.3 | Low | 28 Ų | 28 | 76.7 Ų | 76.7 | 20% | 0.196 | 41% | 0.414 | C | S | . | . | | | trans | -92.7 | 132.5 | 173.2 | 52.4 | 0 | 0 | 0 | 0 | 112.5 | T1545 E1656 A1657 | T1545-S1549 VanDerWaalsContact CG2-OG 3.3Å; T1545-S1549 WeakPolarHBondContact CG2-OG 3.41Å; S1549-E1656 VanDerWaalsContact CB-CG 3.5Å; S1549-E1656 WeakPolarHBondContact CB-OE1 3.4Å; S1549-E1656 PolarHBondContact OG-OE1 3.48Å; S1549-A1657 CarbonylContact C-O 3.6Å; S1549-A1657 VanDerWaalsContact CA-O 3.24Å; S1549-A1657 WeakPolarHBondContact CA-O 3.14Å |
| 1550 | I | 90.7 | Very high | 71.4 | Confident | 51 Ų | 51 | 71.7 Ų | 71.7 | 26% | 0.262 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 132.1 | -179.2 | -61.5 | -61.9 | 0 | 0 | 0 | 107.9 | A1657 | I1550-A1657 PolarHBondContact N-O 2.86Å; I1550-A1657 PolarHBondContact O-N 3.1Å |
| 1551 | L | 95.3 | Very high | 73.4 | Confident | 80 Ų | 80 | 71.1 Ų | 71.1 | 42% | 0.419 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 136.3 | 176.6 | -53.8 | -168.7 | 0 | 0 | 0 | 110.2 | L1573 P1596 C1655 E1656 | L1551-L1573 HydrophobicContact CD1-CD1 4.15Å; L1551-L1573 HydrophobicContact CD2-CD1 3.55Å; L1551-L1573 HydrophobicContact CG-CD1 4.43Å; L1551-P1596 HydrophobicContact CB-CG 3.56Å; L1551-P1596 HydrophobicContact CD1-CG 4.37Å; L1551-C1655 WeakPolarHBondContact CA-O 3.09Å; L1551-E1656 HydrophobicContact CD2-CB 3.96Å; L1551-E1656 HydrophobicContact CD2-CG 3.97Å |
| 1552 | F | 96.1 | Very high | 75.4 | Confident | 4 Ų | 4 | 70.5 Ų | 70.5 | 2% | 0.018 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 154.4 | 172.5 | 71.4 | -78.9 | 0 | 0 | 0 | 110.9 | R1554 P1567 T1570 G1594 V1654 C1655 A1657 V1661 L1681 W1682 P1704 | F1552-R1554 HydrophobicContact CE2-CB 4.36Å; F1552-P1567 HydrophobicContact CE2-CG 4.24Å; F1552-P1567 HydrophobicContact CZ-CG 4Å; F1552-T1570 HydrophobicContact CE1-CG2 3.92Å; F1552-T1570 HydrophobicContact CZ-CG2 4.16Å; F1552-G1594 CarbonylContact C-O 3.49Å; F1552-G1594 WeakPolarHBondContact CA-O 3.23Å; F1552-G1594 WeakPolarHBondContact CB-O 3.4Å; F1552-V1654 WeakPolarHBondContact O-CA 3.31Å; F1552-C1655 HydrophobicContact CD1-CB 4.11Å; F1552-C1655 WeakPolarHBondContact CD1-O 3.49Å; F1552-C1655 HydrophobicContact CE1-CB 3.45Å; F1552-C1655 VanDerWaalsContact CE1-CB 3.45Å; F1552-C1655 HydrophobicContact CE2-CB 4.04Å; F1552-C1655 HydrophobicContact CZ-CB 3.43Å; F1552-C1655 VanDerWaalsContact CZ-CB 3.43Å; F1552-C1655 PolarHBondContact N-O 3.3Å; F1552-C1655 VanDerWaalsContact N-O 3.1Å; F1552-C1655 PolarHBondContact O-N 2.96Å; F1552-A1657 HydrophobicContact CD1-CB 4.1Å; F1552-A1657 HydrophobicContact CE1-CB 3.92Å; F1552-V1661 HydrophobicContact CD1-CG2 3.92Å; F1552-V1661 HydrophobicContact CE1-CG2 4.1Å; F1552-V1661 HydrophobicContact CG-CG2 4.46Å; F1552-L1681 HydrophobicContact CE2-CD1 4.36Å; F1552-L1681 HydrophobicContact CZ-CD1 3.97Å; F1552-W1682 AromaticContact CD2-CH2 3.97Å; F1552-W1682 HydrophobicContact CD2-CH2 3.97Å; F1552-W1682 HydrophobicContact CD2-CZ3 4.23Å; F1552-W1682 AromaticContact CE2-CH2 3.83Å; F1552-W1682 HydrophobicContact CE2-CH2 3.83Å; F1552-W1682 AromaticContact CE2-CZ3 3.63Å; F1552-W1682 HydrophobicContact CE2-CZ3 3.63Å; F1552-W1682 HydrophobicContact CZ-CZ3 4.5Å; F1552-P1704 HydrophobicContact CB-CG 4.43Å |
| 1553 | A | 96.8 | Very high | 77 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.008 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 146.2 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | G1594 T1595 C1599 V1653 V1654 | A1553-G1594 PolarHBondContact N-O 2.89Å; A1553-T1595 VanDerWaalsContact CB-O 3.26Å; A1553-T1595 WeakPolarHBondContact CB-O 3.4Å; A1553-C1599 HydrophobicContact CB-CB 4.31Å; A1553-V1653 WeakPolarHBondContact CA-O 3.5Å; A1553-V1654 HydrophobicContact CB-CG2 4.46Å |
| 1554 | R | 96.2 | Very high | 79.3 | Confident | 28 Ų | 28 | 64.7 Ų | 64.7 | 11% | 0.106 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 126.6 | 165.1 | -175.5 | 178.3 | 178.1 | -179.2 | 5.6 | 108.6 | F1552 Y1556 C1652 V1653 W1682 E1709 | F1552-R1554 HydrophobicContact CE2-CB 4.36Å; R1554-Y1556 HydrophobicContact CB-CE2 4.31Å; R1554-Y1556 HydrophobicContact CG-CD2 4.25Å; R1554-Y1556 HydrophobicContact CG-CE2 3.75Å; R1554-Y1556 PolarHBondContact NE-OH 3.24Å; R1554-Y1556 PolarHBondContact NH1-OH 3.13Å; R1554-C1652 VanDerWaalsContact O-CA 3.31Å; R1554-C1652 WeakPolarHBondContact O-CA 3.36Å; R1554-V1653 HydrophobicContact CB-CG1 4.09Å; R1554-V1653 PolarHBondContact N-O 3.27Å; R1554-V1653 PolarHBondContact O-N 3.13Å; R1554-W1682 HydrophobicContact CB-CH2 4.18Å; R1554-W1682 HydrophobicContact CB-CZ3 4.39Å; R1554-W1682 HydrophobicContact CG-CE3 4.37Å; R1554-W1682 HydrophobicContact CG-CH2 4.09Å; R1554-W1682 HydrophobicContact CG-CZ2 4.29Å; R1554-W1682 HydrophobicContact CG-CZ3 4.16Å; R1554-E1709 IonicContact CZ-OE1 2.6Å; R1554-E1709 VanDerWaalsContact CZ-OE1 3.24Å; R1554-E1709 IonicContact CZ-OE2 2.7Å; R1554-E1709 IonicContact NE-OE1 3.84Å; R1554-E1709 PolarHBondContact NE-OE1 3.4Å; R1554-E1709 IonicContact NE-OE2 2.62Å; R1554-E1709 IonicContact NH2-OE1 3.55Å; R1554-E1709 PolarHBondContact NH2-OE1 3.48Å; R1554-E1709 IonicContact NH2-OE2 2.69Å; R1554-E1709 PolarHBondContact NH2-OE2 3.1Å |
| 1555 | H | 95.1 | Very high | 81.9 | Confident | 18 Ų | 18 | 60.2 Ų | 60.2 | 8% | 0.083 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 123.5 | -177.6 | -69.1 | -87.8 | 0 | 0 | 0 | 110.7 | S1578 L1593 S1598 L1629 | H1555-S1578 WeakPolarHBondContact ND1-CB 3.32Å; H1555-S1578 PolarHBondContact ND1-OG 3Å; H1555-L1593 PolarHBondContact CD2-O 2.64Å; H1555-L1593 PolarHBondContact NE2-O 2.77Å; H1555-S1598 PolarHBondContact CE1-O 3.05Å; H1555-S1598 PolarHBondContact CE1-OG 3.22Å; H1555-S1598 WeakPolarHBondContact NE2-CB 3.32Å; H1555-S1598 PolarHBondContact NE2-OG 3.29Å; H1555-L1629 HydrophobicContact CB-CD2 3.73Å |
| 1556 | Y | 93.5 | Very high | 84.5 | Confident | 36 Ų | 36 | 57.9 Ų | 57.9 | 14% | 0.141 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 122.7 | 176.2 | -72.5 | -100.5 | 0 | 0 | 0 | 108.4 | R1554 T1558 L1564 T1565 A1650 R1651 V1653 | R1554-Y1556 HydrophobicContact CB-CE2 4.31Å; R1554-Y1556 HydrophobicContact CG-CD2 4.25Å; R1554-Y1556 HydrophobicContact CG-CE2 3.75Å; R1554-Y1556 PolarHBondContact NE-OH 3.24Å; R1554-Y1556 PolarHBondContact NH1-OH 3.13Å; Y1556-T1558 PolarHBondContact O-N 2.83Å; Y1556-L1564 HydrophobicContact CD2-CD2 3.85Å; Y1556-L1564 HydrophobicContact CD2-CG 3.64Å; Y1556-L1564 HydrophobicContact CE2-CG 4.15Å; Y1556-L1564 HydrophobicContact CG-CD1 4.37Å; Y1556-L1564 HydrophobicContact CG-CD2 4.39Å; Y1556-L1564 HydrophobicContact CG-CG 3.94Å; Y1556-T1565 PolarHBondContact OH-O 2.72Å; Y1556-A1650 WeakPolarHBondContact O-CB 3.46Å; Y1556-R1651 PolarHBondContact N-O 2.87Å; Y1556-R1651 PolarHBondContact O-N 2.91Å; Y1556-V1653 HydrophobicContact CD2-CG1 4.38Å; Y1556-V1653 HydrophobicContact CE2-CG1 3.84Å |
| 1557 | Q | 92.1 | Very high | 86.9 | Confident | 9 Ų | 9 | 52.1 Ų | 52.1 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -77.3 | 53.9 | -179.4 | -62.3 | 179.5 | -90.6 | 0 | 0 | 111.5 | L1629 A1630 T1631 L1632 M1708 H1710 | Q1557-L1629 HydrophobicContact CG-CD2 4.2Å; Q1557-A1630 PolarHBondContact NE2-O 3.38Å; Q1557-T1631 CarbonylContact O-C 3.59Å; Q1557-T1631 WeakPolarHBondContact O-CA 3.45Å; Q1557-L1632 HydrophobicContact CB-CD2 4.19Å; Q1557-L1632 HydrophobicContact CB-CG 3.89Å; Q1557-L1632 WeakPolarHBondContact O-CG 3.31Å; Q1557-L1632 PolarHBondContact O-N 3.17Å; Q1557-M1708 HydrophobicContact CG-CE 4.16Å; Q1557-H1710 PolarHBondContact OE1-O 2.79Å |
| 1558 | T | 93 | Very high | 89 | Confident | 21 Ų | 21 | 47.2 Ų | 47.2 | 13% | 0.129 | 26% | 0.264 | C | S | . | . | | | trans | -140.2 | 146.9 | -176.1 | -168.7 | 0 | 0 | 0 | 0 | 108.9 | Y1556 F1560 L1564 T1631 R1651 | Y1556-T1558 PolarHBondContact O-N 2.83Å; T1558-F1560 WeakPolarHBondContact OG1-CD2 3.48Å; T1558-L1564 HydrophobicContact CG2-CD1 3.9Å; T1558-T1631 VanDerWaalsContact C-CG2 3.47Å; T1558-R1651 WeakPolarHBondContact O-CB 3.22Å; T1558-R1651 VanDerWaalsContact O-CG 3.26Å; T1558-R1651 WeakPolarHBondContact O-CG 3.41Å; T1558-R1651 PolarHBondContact O-N 3.21Å |
| 1559 | P | 91.7 | Very high | 90.6 | Very high | 20 Ų | 20 | 46 Ų | 46 | 13% | 0.13 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -82.8 | -18 | 173.3 | 32.8 | -33.3 | 0 | 0 | 0 | 112.6 | T1631 A1646 R1651 | P1559-T1631 HydrophobicContact CB-CG2 4.17Å; P1559-T1631 HydrophobicContact CG-CG2 4.41Å; P1559-A1646 WeakPolarHBondContact CB-O 3.36Å; P1559-R1651 WeakPolarHBondContact O-CG 3.27Å |
| 1560 | F | 91.3 | Very high | 91.4 | Very high | 102 Ų | 102 | 45.3 Ų | 45.3 | 45% | 0.447 | 26% | 0.258 | S | S | . | . | | | trans | -78.2 | 123.5 | -171.3 | -52.5 | -61.7 | 0 | 0 | 0 | 112.3 | W728 T1558 L1564 | W728-F1560 HydrophobicContact CB-CE2 3.91Å; W728-F1560 HydrophobicContact CG-CE2 4.45Å; T1558-F1560 WeakPolarHBondContact OG1-CD2 3.48Å; F1560-L1564 WeakPolarHBondContact O-CD1 3.08Å |
| 1561 | V | 83.6 | Confident | 91.6 | Very high | 55 Ų | 55 | 47.7 Ų | 47.7 | 33% | 0.333 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -77 | -31.3 | -175.1 | -166.2 | 0 | 0 | 0 | 0 | 113.1 | D1563 L1564 T1575 | V1561-D1563 VanDerWaalsContact C-N 3.28Å; V1561-D1563 PolarHBondContact O-N 3.16Å; V1561-L1564 PolarHBondContact O-N 3.31Å; V1561-T1575 HydrophobicContact CG1-CG2 4.37Å |
| 1562 | D | 81.6 | Confident | 91.5 | Very high | 152 Ų | 152 | 49 Ų | 49 | 81% | 0.813 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -26.6 | -170 | -61 | -36.2 | 0 | 0 | 0 | 113.4 | L1564 | D1562-L1564 VanDerWaalsContact C-N 3.3Å; D1562-L1564 PolarHBondContact O-N 3.04Å |
| 1563 | D | 76.5 | Confident | 91.5 | Very high | 51 Ų | 51 | 53.1 Ų | 53.1 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -13.4 | -179.3 | -69.2 | 31.5 | 0 | 0 | 0 | 112.3 | R729 V1561 T1565 | R729-D1563 IonicContact CZ-OD1 3.07Å; R729-D1563 IonicContact CZ-OD2 3.53Å; R729-D1563 IonicContact NE-OD1 2.81Å; R729-D1563 PolarHBondContact NE-OD1 3.21Å; R729-D1563 IonicContact NE-OD2 3.5Å; R729-D1563 PolarHBondContact NE-OD2 3.48Å; R729-D1563 IonicContact NH2-OD1 3.96Å; R729-D1563 PolarHBondContact NH2-OD1 3.3Å; R729-D1563 IonicContact NH2-OD2 2.71Å; V1561-D1563 VanDerWaalsContact C-N 3.28Å; V1561-D1563 PolarHBondContact O-N 3.16Å; D1563-T1565 PolarHBondContact O-N 3.48Å |
| 1564 | L | 90.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | | | trans | -77.8 | 99.7 | -173.9 | -84.2 | 82 | 0 | 0 | 0 | 112.4 | Y1556 T1558 F1560 V1561 D1562 K1572 T1575 R1651 C1652 V1653 | Y1556-L1564 HydrophobicContact CD2-CD2 3.85Å; Y1556-L1564 HydrophobicContact CD2-CG 3.64Å; Y1556-L1564 HydrophobicContact CE2-CG 4.15Å; Y1556-L1564 HydrophobicContact CG-CD1 4.37Å; Y1556-L1564 HydrophobicContact CG-CD2 4.39Å; Y1556-L1564 HydrophobicContact CG-CG 3.94Å; T1558-L1564 HydrophobicContact CG2-CD1 3.9Å; F1560-L1564 WeakPolarHBondContact O-CD1 3.08Å; V1561-L1564 PolarHBondContact O-N 3.31Å; D1562-L1564 VanDerWaalsContact C-N 3.3Å; D1562-L1564 PolarHBondContact O-N 3.04Å; L1564-K1572 PolarHBondContact O-NZ 2.84Å; L1564-T1575 HydrophobicContact CB-CG2 4.17Å; L1564-T1575 HydrophobicContact CD2-CG2 4.42Å; L1564-R1651 HydrophobicContact CD1-CB 3.77Å; L1564-R1651 HydrophobicContact CD2-CB 3.65Å; L1564-R1651 HydrophobicContact CG-CB 4.39Å; L1564-C1652 VanDerWaalsContact CD2-O 3.31Å; L1564-C1652 WeakPolarHBondContact CD2-O 3.33Å; L1564-V1653 HydrophobicContact CB-CB 4.35Å; L1564-V1653 HydrophobicContact CD2-CB 4.14Å |
| 1565 | T | 92.2 | Very high | 91.4 | Very high | 87 Ų | 87 | 57.2 Ų | 57.2 | 53% | 0.534 | 32% | 0.317 | S | S | . | . | | | trans | -112.8 | 144.8 | 179.2 | 45.4 | 0 | 0 | 0 | 0 | 110.5 | Y1556 D1563 | Y1556-T1565 PolarHBondContact OH-O 2.72Å; D1563-T1565 PolarHBondContact O-N 3.48Å |
| 1566 | C | 95.1 | Very high | 91.4 | Very high | 23 Ų | 23 | 56.4 Ų | 56.4 | 16% | 0.155 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -78 | 145.6 | 172.6 | -79.2 | 0 | 0 | 0 | 0 | 110.8 | T1570 K1572 C1655 | C1566-T1570 WeakPolarHBondContact CB-OG1 3.39Å; C1566-K1572 HydrophobicContact CB-CB 4.45Å; C1566-K1572 WeakPolarHBondContact SG-CA 3.19Å; C1566-C1655 VanDerWaalsContact CA-SG 3.51Å; C1566-C1655 HydrophobicContact CB-CB 3.91Å; C1566-C1655 WeakPolarHBondContact CB-SG 3.48Å; C1566-C1655 VanDerWaalsContact SG-CA 3.57Å; C1566-C1655 WeakPolarHBondContact SG-CB 3.01Å; C1566-C1655 CovalentContact SG-SG 2.04Å; C1566-C1655 PolarHBondContact SG-SG 3.4Å |
| 1567 | P | 93.7 | Very high | 91.6 | Very high | 7 Ų | 7 | 57.7 Ų | 57.7 | 5% | 0.045 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -51.5 | 144.8 | 174.1 | -27.4 | 34.1 | 0 | 0 | 0 | 113.4 | F1552 G1569 T1570 L1681 W1682 | F1552-P1567 HydrophobicContact CE2-CG 4.24Å; F1552-P1567 HydrophobicContact CZ-CG 4Å; P1567-G1569 PolarHBondContact O-N 2.77Å; P1567-T1570 WeakPolarHBondContact O-CB 3.32Å; P1567-T1570 PolarHBondContact O-N 3.19Å; P1567-T1570 PolarHBondContact O-OG1 3.28Å; P1567-L1681 HydrophobicContact CB-CB 3.9Å; P1567-L1681 HydrophobicContact CB-CD1 4.11Å; P1567-L1681 HydrophobicContact CB-CD2 3.83Å; P1567-L1681 HydrophobicContact CB-CG 4.17Å; P1567-L1681 HydrophobicContact CG-CB 4.13Å; P1567-L1681 HydrophobicContact CG-CD1 4.2Å; P1567-W1682 HydrophobicContact CG-CE3 4.11Å; P1567-W1682 HydrophobicContact CG-CZ3 4.04Å |
| 1568 | T | 91.9 | Very high | 91.8 | Very high | 139 Ų | 139 | 57.2 Ų | 57.2 | 85% | 0.853 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 123.6 | -178.1 | -54.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1569 | G | 89.8 | Confident | 91.9 | Very high | 52 Ų | 52 | 56.4 Ų | 56.4 | 54% | 0.536 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | 8.1 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | P1567 P1658 | P1567-G1569 PolarHBondContact O-N 2.77Å; G1569-P1658 WeakPolarHBondContact O-CD 3.18Å |
| 1570 | T | 93.7 | Very high | 91.9 | Very high | 14 Ų | 14 | 55.5 Ų | 55.5 | 9% | 0.086 | 31% | 0.305 | C | S | . | . | | | trans | -127.1 | 148 | 173.9 | 70.9 | 0 | 0 | 0 | 0 | 110.6 | F1552 C1566 P1567 E1656 A1657 M1773 | F1552-T1570 HydrophobicContact CE1-CG2 3.92Å; F1552-T1570 HydrophobicContact CZ-CG2 4.16Å; C1566-T1570 WeakPolarHBondContact CB-OG1 3.39Å; P1567-T1570 WeakPolarHBondContact O-CB 3.32Å; P1567-T1570 PolarHBondContact O-N 3.19Å; P1567-T1570 PolarHBondContact O-OG1 3.28Å; T1570-E1656 CarbonylContact C-O 3.59Å; T1570-E1656 WeakPolarHBondContact CA-O 3.22Å; T1570-E1656 VanDerWaalsContact CB-O 3.3Å; T1570-E1656 WeakPolarHBondContact CB-O 3.44Å; T1570-A1657 HydrophobicContact CG2-CB 3.94Å; T1570-M1773 HydrophobicContact CG2-CE 4.13Å; T1570-M1773 HydrophobicContact CG2-SD 3.72Å |
| 1571 | N | 93.6 | Very high | 91.8 | Very high | 101 Ų | 101 | 50.9 Ų | 50.9 | 54% | 0.54 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 140.7 | -174.4 | -54.7 | -45.1 | 0 | 0 | 0 | 111.8 | C1655 E1656 | N1571-C1655 CarbonylContact O-C 3.44Å; N1571-C1655 VanDerWaalsContact O-CA 3.25Å; N1571-C1655 WeakPolarHBondContact O-CA 3.46Å; N1571-E1656 HydrophobicContact CB-CB 4.24Å; N1571-E1656 PolarHBondContact N-O 3.42Å; N1571-E1656 PolarHBondContact ND2-OE2 2.84Å; N1571-E1656 PolarHBondContact O-N 2.77Å |
| 1572 | K | 95 | Very high | 92.1 | Very high | 108 Ų | 108 | 48.2 Ų | 48.2 | 47% | 0.47 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 120.9 | 175.4 | -177 | 168.9 | -178 | 173 | 0 | 111.3 | L1564 C1566 V1653 | L1564-K1572 PolarHBondContact O-NZ 2.84Å; C1566-K1572 HydrophobicContact CB-CB 4.45Å; C1566-K1572 WeakPolarHBondContact SG-CA 3.19Å; K1572-V1653 HydrophobicContact CD-CG2 4.09Å; K1572-V1653 HydrophobicContact CG-CG2 3.78Å |
| 1573 | L | 94.2 | Very high | 92.1 | Very high | 91 Ų | 91 | 41.2 Ų | 41.2 | 48% | 0.476 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -59.4 | 173.6 | -75.4 | 162.7 | 0 | 0 | 0 | 111.2 | L1551 V1654 E1656 | L1551-L1573 HydrophobicContact CD1-CD1 4.15Å; L1551-L1573 HydrophobicContact CD2-CD1 3.55Å; L1551-L1573 HydrophobicContact CG-CD1 4.43Å; L1573-V1654 HydrophobicContact CD1-CG1 4.09Å; L1573-V1654 PolarHBondContact N-O 3.03Å; L1573-E1656 HydrophobicContact CD1-CB 4.08Å; L1573-E1656 HydrophobicContact CG-CB 4.36Å |
| 1574 | F | 94.8 | Very high | 92.2 | Very high | 82 Ų | 82 | 39.4 Ų | 39.4 | 36% | 0.36 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 171.5 | 177.7 | 66.4 | -92 | 0 | 0 | 0 | 111.7 | C1599 V1653 V1654 | F1574-C1599 HydrophobicContact CE2-CB 4.41Å; F1574-C1599 VanDerWaalsContact CE2-O 3.32Å; F1574-C1599 WeakPolarHBondContact CE2-O 3.26Å; F1574-V1653 WeakPolarHBondContact O-CA 3.48Å; F1574-V1653 WeakPolarHBondContact O-CG2 3.45Å; F1574-V1654 HydrophobicContact CD1-CB 4.13Å; F1574-V1654 HydrophobicContact CD1-CG2 4.49Å; F1574-V1654 HydrophobicContact CD2-CG2 4.42Å; F1574-V1654 HydrophobicContact CE1-CB 3.77Å; F1574-V1654 HydrophobicContact CE1-CG1 4.09Å; F1574-V1654 HydrophobicContact CE1-CG2 3.81Å; F1574-V1654 HydrophobicContact CE2-CB 4.34Å; F1574-V1654 HydrophobicContact CE2-CG2 3.73Å; F1574-V1654 HydrophobicContact CZ-CB 3.89Å; F1574-V1654 HydrophobicContact CZ-CG1 4.46Å; F1574-V1654 HydrophobicContact CZ-CG2 3.39Å; F1574-V1654 PolarHBondContact O-N 3.19Å |
| 1575 | T | 96.8 | Very high | 91.2 | Very high | 33 Ų | 33 | 41.1 Ų | 41.1 | 20% | 0.202 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 152.8 | 170.9 | 52.9 | 0 | 0 | 0 | 0 | 111.3 | V1561 L1564 C1652 V1653 | V1561-T1575 HydrophobicContact CG1-CG2 4.37Å; L1564-T1575 HydrophobicContact CB-CG2 4.17Å; L1564-T1575 HydrophobicContact CD2-CG2 4.42Å; T1575-C1652 CarbonylContact C-O 2.99Å; T1575-C1652 WeakPolarHBondContact CA-O 3.29Å; T1575-C1652 WeakPolarHBondContact CB-O 3.26Å; T1575-V1653 HydrophobicContact CG2-CB 4.2Å; T1575-V1653 HydrophobicContact CG2-CG2 4.14Å |
| 1576 | G | 95.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | -163.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1600 R1651 C1652 | G1576-L1600 CarbonylContact C-O 3.48Å; G1576-L1600 WeakPolarHBondContact CA-O 3.31Å; G1576-R1651 VanDerWaalsContact C-NH1 3.31Å; G1576-R1651 WeakPolarHBondContact O-CA 3.31Å; G1576-R1651 PolarHBondContact O-NE 3.45Å; G1576-R1651 PolarHBondContact O-NH1 3.3Å; G1576-C1652 PolarHBondContact N-O 2.64Å; G1576-C1652 PolarHBondContact O-N 3.14Å; G1576-C1652 PolarHBondContact O-SG 2.89Å; G1576-C1652 VanDerWaalsContact O-SG 3.35Å |
| 1577 | Y | 96.6 | Very high | 89.4 | Confident | 63 Ų | 63 | 47.9 Ų | 47.9 | 25% | 0.247 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 146 | 172.5 | -59.7 | -94.1 | 0 | 0 | 0 | 109.6 | Y1579 L1600 F1603 I1649 C1652 | Y1577-Y1579 PolarHBondContact O-N 2.88Å; Y1577-Y1579 VanDerWaalsContact O-N 3.12Å; Y1577-L1600 PolarHBondContact N-O 3.15Å; Y1577-L1600 PolarHBondContact O-N 3.07Å; Y1577-L1600 VanDerWaalsContact O-N 3.08Å; Y1577-F1603 HydrophobicContact CD1-CB 3.8Å; Y1577-F1603 HydrophobicContact CD1-CG 4.42Å; Y1577-F1603 HydrophobicContact CD2-CB 3.56Å; Y1577-F1603 HydrophobicContact CE1-CB 3.83Å; Y1577-F1603 HydrophobicContact CE2-CB 3.61Å; Y1577-F1603 VanDerWaalsContact CE2-N 3.31Å; Y1577-F1603 HydrophobicContact CG-CB 3.65Å; Y1577-I1649 HydrophobicContact CD1-CB 4.17Å; Y1577-I1649 HydrophobicContact CD1-CG2 3.71Å; Y1577-I1649 HydrophobicContact CG-CG2 4.31Å; Y1577-C1652 VanDerWaalsContact C-SG 3.51Å; Y1577-C1652 PolarHBondContact O-SG 2.83Å; Y1577-C1652 VanDerWaalsContact O-SG 3.33Å |
| 1578 | S | 96.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 91.3 | -171.6 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | H1555 W1628 L1629 A1650 R1651 | H1555-S1578 WeakPolarHBondContact ND1-CB 3.32Å; H1555-S1578 PolarHBondContact ND1-OG 3Å; S1578-W1628 CarbonylContact O-C 3.59Å; S1578-W1628 WeakPolarHBondContact O-CA 3.47Å; S1578-L1629 VanDerWaalsContact CB-CB 3.42Å; S1578-L1629 PolarHBondContact O-N 2.82Å; S1578-A1650 WeakPolarHBondContact CB-O 3.38Å; S1578-A1650 PolarHBondContact N-O 2.83Å; S1578-A1650 VanDerWaalsContact OG-C 3.28Å; S1578-A1650 PolarHBondContact OG-O 3.21Å; S1578-R1651 PolarHBondContact OG-O 3.46Å |
| 1579 | Y | 94.9 | Very high | 88.6 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 133.8 | -179.9 | -175.3 | -123.1 | 0 | 0 | 0 | 111.3 | Y1577 M1581 G1582 M1591 S1598 L1600 P1607 M1608 W1628 | Y1577-Y1579 PolarHBondContact O-N 2.88Å; Y1577-Y1579 VanDerWaalsContact O-N 3.12Å; Y1579-M1581 WeakPolarHBondContact CE2-O 2.99Å; Y1579-M1581 VanDerWaalsContact CZ-C 3.49Å; Y1579-M1581 PolarHBondContact OH-O 3.49Å; Y1579-G1582 VanDerWaalsContact OH-CA 3.23Å; Y1579-G1582 WeakPolarHBondContact OH-CA 3.25Å; Y1579-G1582 PolarHBondContact OH-N 2.76Å; Y1579-M1591 HydrophobicContact CD1-CG 3.9Å; Y1579-M1591 HydrophobicContact CE1-CE 4.12Å; Y1579-M1591 HydrophobicContact CE1-CG 3.94Å; Y1579-S1598 WeakPolarHBondContact CB-O 3.07Å; Y1579-S1598 PolarHBondContact N-O 3.15Å; Y1579-S1598 WeakPolarHBondContact O-CA 3.36Å; Y1579-S1598 WeakPolarHBondContact O-CB 3.11Å; Y1579-L1600 HydrophobicContact CD1-CD1 3.59Å; Y1579-L1600 HydrophobicContact CD1-CG 4.05Å; Y1579-L1600 HydrophobicContact CD2-CD1 3.99Å; Y1579-L1600 HydrophobicContact CE1-CD1 4.17Å; Y1579-L1600 HydrophobicContact CG-CD1 3.49Å; Y1579-L1600 VanDerWaalsContact CG-CD1 3.49Å; Y1579-L1600 HydrophobicContact CG-CG 4Å; Y1579-P1607 HydrophobicContact CD2-CG 4.14Å; Y1579-P1607 HydrophobicContact CE1-CG 4.49Å; Y1579-P1607 HydrophobicContact CE2-CG 3.54Å; Y1579-M1608 WeakPolarHBondContact OH-CE 3.26Å; Y1579-W1628 HydrophobicContact CD2-CD2 4.08Å; Y1579-W1628 AromaticContact CD2-CE2 3.89Å; Y1579-W1628 HydrophobicContact CD2-CE3 4.11Å; Y1579-W1628 AromaticContact CD2-CH2 3.84Å; Y1579-W1628 HydrophobicContact CD2-CH2 3.84Å; Y1579-W1628 AromaticContact CD2-CZ2 3.78Å; Y1579-W1628 HydrophobicContact CD2-CZ2 3.78Å; Y1579-W1628 AromaticContact CD2-CZ3 3.99Å; Y1579-W1628 HydrophobicContact CD2-CZ3 3.99Å; Y1579-W1628 HydrophobicContact CE2-CZ2 4.3Å; Y1579-W1628 HydrophobicContact CG-CH2 4.31Å; Y1579-W1628 HydrophobicContact CG-CZ3 4.24Å |
| 1580 | V | 92.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | -46.3 | -172.5 | -173.3 | 0 | 0 | 0 | 0 | 111.4 | M1591 L1593 Y1627 L1629 H1690 | V1580-M1591 PolarHBondContact O-N 3.03Å; V1580-L1593 HydrophobicContact CG2-CD2 4.28Å; V1580-Y1627 WeakPolarHBondContact CA-O 3.31Å; V1580-Y1627 WeakPolarHBondContact CB-O 3.31Å; V1580-Y1627 PolarHBondContact N-O 2.79Å; V1580-L1629 HydrophobicContact CG2-CB 3.97Å; V1580-L1629 HydrophobicContact CG2-CD1 4.3Å; V1580-L1629 VanDerWaalsContact CG2-N 3.28Å; V1580-H1690 WeakPolarHBondContact CG1-CE1 3.12Å; V1580-H1690 WeakPolarHBondContact CG1-NE2 3.23Å |
| 1581 | M | 90 | Very high | 88.5 | Confident | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.02 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 158.1 | -175.7 | 172.2 | -163.5 | -72.9 | 0 | 0 | 111.2 | Y1579 L1588 V1589 S1626 Y1627 H1690 G1696 G1697 | Y1579-M1581 WeakPolarHBondContact CE2-O 2.99Å; Y1579-M1581 VanDerWaalsContact CZ-C 3.49Å; Y1579-M1581 PolarHBondContact OH-O 3.49Å; M1581-L1588 HydrophobicContact CG-CB 4.04Å; M1581-L1588 HydrophobicContact CG-CD2 4.28Å; M1581-L1588 HydrophobicContact SD-CB 3.83Å; M1581-L1588 HydrophobicContact SD-CD1 4.1Å; M1581-L1588 HydrophobicContact SD-CD2 4.35Å; M1581-L1588 HydrophobicContact SD-CG 4.32Å; M1581-V1589 CarbonylContact C-O 3.52Å; M1581-V1589 WeakPolarHBondContact CA-O 3.08Å; M1581-V1589 WeakPolarHBondContact CG-O 3.48Å; M1581-S1626 WeakPolarHBondContact O-CA 3.08Å; M1581-Y1627 HydrophobicContact CB-CD2 3.96Å; M1581-Y1627 HydrophobicContact CB-CG 4.43Å; M1581-Y1627 HydrophobicContact CG-CD2 3.92Å; M1581-Y1627 PolarHBondContact N-O 2.94Å; M1581-Y1627 PolarHBondContact O-N 3.43Å; M1581-Y1627 HydrophobicContact SD-CD2 3.6Å; M1581-Y1627 HydrophobicContact SD-CE2 3.82Å; M1581-Y1627 HydrophobicContact SD-CG 4.44Å; M1581-H1690 WeakPolarHBondContact CE-NE2 3.5Å; M1581-G1696 WeakPolarHBondContact CE-O 3.42Å; M1581-G1697 VanDerWaalsContact CE-N 3.33Å |
| 1582 | G | 88.4 | Confident | 88.6 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.2 | 176 | 161.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y1579 V1589 R1625 | Y1579-G1582 VanDerWaalsContact OH-CA 3.23Å; Y1579-G1582 WeakPolarHBondContact OH-CA 3.25Å; Y1579-G1582 PolarHBondContact OH-N 2.76Å; G1582-V1589 PolarHBondContact N-O 3.49Å; G1582-V1589 PolarHBondContact O-N 2.88Å; G1582-R1625 CarbonylContact C-O 3.19Å; G1582-R1625 WeakPolarHBondContact CA-O 3.19Å |
| 1583 | G | 82.3 | Confident | 88.6 | Confident | 5 Ų | 5 | 38.9 Ų | 38.9 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 146.4 | -174.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112 | M1608 E1624 R1625 | G1583-M1608 VanDerWaalsContact CA-SD 3.53Å; G1583-E1624 CarbonylContact O-C 3.3Å; G1583-E1624 VanDerWaalsContact O-CA 3.24Å; G1583-E1624 WeakPolarHBondContact O-CA 3.44Å; G1583-R1625 PolarHBondContact N-O 2.75Å; G1583-R1625 VanDerWaalsContact N-O 3.1Å; G1583-R1625 PolarHBondContact O-N 2.99Å |
| 1584 | G | 78.5 | Confident | 88.7 | Confident | 12 Ų | 12 | 34.8 Ų | 34.8 | 12% | 0.124 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -60.7 | 155.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | D1586 D1587 L1588 | G1584-D1586 VanDerWaalsContact C-N 3.26Å; G1584-D1586 PolarHBondContact O-N 2.93Å; G1584-D1587 CarbonylContact O-C 3.56Å; G1584-D1587 PolarHBondContact O-N 2.99Å; G1584-L1588 PolarHBondContact O-N 2.75Å |
| 1585 | V | 69.6 | Low | 88.7 | Confident | 37 Ų | 37 | 33 Ų | 33 | 22% | 0.224 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -51.2 | -45.1 | -173 | -174 | 0 | 0 | 0 | 0 | 112.3 | L1588 H1623 H1695 | V1585-L1588 WeakPolarHBondContact O-CG 3.44Å; V1585-H1623 HydrophobicContact CG2-CB 3.98Å; V1585-H1623 WeakPolarHBondContact CG2-O 3.34Å; V1585-H1695 WeakPolarHBondContact CG1-NE2 3.15Å |
| 1586 | D | 72.4 | Confident | 88.7 | Confident | 151 Ų | 151 | 33.4 Ų | 33.4 | 81% | 0.807 | 19% | 0.19 | S | C | * | . | G | 310 helix | trans | -77.4 | -22.2 | -178 | -47.2 | -78.2 | 0 | 0 | 0 | 113.7 | G1584 | G1584-D1586 VanDerWaalsContact C-N 3.26Å; G1584-D1586 PolarHBondContact O-N 2.93Å |
| 1587 | D | 77.4 | Confident | 88.5 | Confident | 102 Ų | 102 | 36.4 Ų | 36.4 | 55% | 0.545 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -113.2 | 31.8 | -172.6 | -81.1 | -35.6 | 0 | 0 | 0 | 112.1 | G1584 V1589 Q1610 | G1584-D1587 CarbonylContact O-C 3.56Å; G1584-D1587 PolarHBondContact O-N 2.99Å; D1587-V1589 PolarHBondContact O-N 2.79Å; D1587-V1589 VanDerWaalsContact O-N 3.11Å; D1587-Q1610 PolarHBondContact OD2-NE2 3.32Å |
| 1588 | L | 81.3 | Confident | 88.5 | Confident | 28 Ų | 28 | 33.4 Ų | 33.4 | 15% | 0.147 | 20% | 0.199 | C | C | . | . | | | trans | -67.1 | 107.8 | -177.4 | -77.3 | 173.2 | 0 | 0 | 0 | 112.9 | M1581 G1584 V1585 R1625 Y1627 H1695 | M1581-L1588 HydrophobicContact CG-CB 4.04Å; M1581-L1588 HydrophobicContact CG-CD2 4.28Å; M1581-L1588 HydrophobicContact SD-CB 3.83Å; M1581-L1588 HydrophobicContact SD-CD1 4.1Å; M1581-L1588 HydrophobicContact SD-CD2 4.35Å; M1581-L1588 HydrophobicContact SD-CG 4.32Å; G1584-L1588 PolarHBondContact O-N 2.75Å; V1585-L1588 WeakPolarHBondContact O-CG 3.44Å; L1588-R1625 HydrophobicContact CD2-CB 4.33Å; L1588-Y1627 HydrophobicContact CD1-CE2 3.94Å; L1588-Y1627 HydrophobicContact CD2-CD2 4.5Å; L1588-Y1627 HydrophobicContact CD2-CE2 4Å; L1588-H1695 HydrophobicContact CD1-CB 3.52Å |
| 1589 | V | 86.9 | Confident | 88.6 | Confident | 82 Ų | 82 | 33.6 Ų | 33.6 | 50% | 0.497 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 121.2 | 179.7 | -177.7 | 0 | 0 | 0 | 0 | 110.7 | M1581 G1582 D1587 M1591 | M1581-V1589 CarbonylContact C-O 3.52Å; M1581-V1589 WeakPolarHBondContact CA-O 3.08Å; M1581-V1589 WeakPolarHBondContact CG-O 3.48Å; G1582-V1589 PolarHBondContact N-O 3.49Å; G1582-V1589 PolarHBondContact O-N 2.88Å; D1587-V1589 PolarHBondContact O-N 2.79Å; D1587-V1589 VanDerWaalsContact O-N 3.11Å; V1589-M1591 HydrophobicContact CG1-CE 4.32Å |
| 1590 | S | 89.7 | Confident | 88.6 | Confident | 47 Ų | 47 | 35.8 Ų | 35.8 | 33% | 0.329 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 145.1 | 175.7 | 68.7 | 0 | 0 | 0 | 0 | 113.6 | G1697 | S1590-G1697 WeakPolarHBondContact OG-CA 3.34Å |
| 1591 | M | 91.7 | Very high | 88.7 | Confident | 48 Ų | 48 | 39.8 Ų | 39.8 | 24% | 0.236 | 24% | 0.24 | C | C | . | . | | | trans | -108.1 | 143 | 178.8 | -62.3 | -65.3 | 171.6 | 0 | 0 | 111.4 | Y1579 V1580 V1589 Q1699 | Y1579-M1591 HydrophobicContact CD1-CG 3.9Å; Y1579-M1591 HydrophobicContact CE1-CE 4.12Å; Y1579-M1591 HydrophobicContact CE1-CG 3.94Å; V1580-M1591 PolarHBondContact O-N 3.03Å; V1589-M1591 HydrophobicContact CG1-CE 4.32Å; M1591-Q1699 PolarHBondContact O-NE2 3.35Å |
| 1592 | D | 94.9 | Very high | 88.9 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 12% | 0.123 | 27% | 0.274 | C | S | . | . | | | trans | -81.5 | 120.3 | 170.5 | -175.4 | -57.5 | 0 | 0 | 0 | 109.7 | G1594 T1595 Q1700 S1703 | D1592-G1594 PolarHBondContact O-N 3.16Å; D1592-G1594 VanDerWaalsContact O-N 3.15Å; D1592-G1594 PolarHBondContact OD1-N 3.02Å; D1592-T1595 HydrophobicContact CB-CG2 3.92Å; D1592-T1595 WeakPolarHBondContact O-CB 3.18Å; D1592-T1595 PolarHBondContact O-N 2.68Å; D1592-T1595 PolarHBondContact O-OG1 3.41Å; D1592-Q1700 PolarHBondContact OD2-N 3.14Å; D1592-Q1700 VanDerWaalsContact OD2-N 3.09Å; D1592-S1703 VanDerWaalsContact OD1-CB 3.29Å; D1592-S1703 WeakPolarHBondContact OD1-CB 3.5Å; D1592-S1703 PolarHBondContact OD1-OG 3.44Å; D1592-S1703 VanDerWaalsContact OD2-CB 3.3Å; D1592-S1703 WeakPolarHBondContact OD2-CB 3.37Å; D1592-S1703 PolarHBondContact OD2-OG 3.17Å |
| 1593 | L | 95.7 | Very high | 89.1 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -8.8 | -174.8 | -62.6 | 173.6 | 0 | 0 | 0 | 113.7 | H1555 V1580 L1629 L1687 Q1699 G1705 | H1555-L1593 PolarHBondContact CD2-O 2.64Å; H1555-L1593 PolarHBondContact NE2-O 2.77Å; V1580-L1593 HydrophobicContact CG2-CD2 4.28Å; L1593-L1629 HydrophobicContact CD1-CD1 4.07Å; L1593-L1687 HydrophobicContact CD1-CD2 3.99Å; L1593-Q1699 VanDerWaalsContact CB-OE1 3.26Å; L1593-G1705 VanDerWaalsContact C-CA 3.49Å |
| 1594 | G | 95.9 | Very high | 89.4 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 4% | 0.041 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -11 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F1552 A1553 D1592 S1703 | F1552-G1594 CarbonylContact C-O 3.49Å; F1552-G1594 WeakPolarHBondContact CA-O 3.23Å; F1552-G1594 WeakPolarHBondContact CB-O 3.4Å; A1553-G1594 PolarHBondContact N-O 2.89Å; D1592-G1594 PolarHBondContact O-N 3.16Å; D1592-G1594 VanDerWaalsContact O-N 3.15Å; D1592-G1594 PolarHBondContact OD1-N 3.02Å; G1594-S1703 WeakPolarHBondContact CA-OG 3.48Å |
| 1595 | T | 95.5 | Very high | 89.9 | Confident | 46 Ų | 46 | 52.2 Ų | 52.2 | 28% | 0.282 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -95 | 150.7 | -175 | 70 | 0 | 0 | 0 | 0 | 112.1 | A1553 D1592 S1597 S1598 | A1553-T1595 VanDerWaalsContact CB-O 3.26Å; A1553-T1595 WeakPolarHBondContact CB-O 3.4Å; D1592-T1595 HydrophobicContact CB-CG2 3.92Å; D1592-T1595 WeakPolarHBondContact O-CB 3.18Å; D1592-T1595 PolarHBondContact O-N 2.68Å; D1592-T1595 PolarHBondContact O-OG1 3.41Å; T1595-S1597 WeakPolarHBondContact CB-OG 3.38Å; T1595-S1597 PolarHBondContact O-N 3.05Å; T1595-S1597 PolarHBondContact OG1-OG 2.7Å; T1595-S1598 PolarHBondContact O-N 3.37Å; T1595-S1598 PolarHBondContact O-OG 2.68Å |
| 1596 | P | 96.1 | Very high | 90.5 | Very high | 41 Ų | 41 | 50.9 Ų | 50.9 | 27% | 0.266 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -55.6 | -24.5 | 175.5 | -28.2 | 36.8 | 0 | 0 | 0 | 115 | L1551 S1598 C1599 V1654 | L1551-P1596 HydrophobicContact CB-CG 3.56Å; L1551-P1596 HydrophobicContact CD1-CG 4.37Å; P1596-S1598 VanDerWaalsContact C-N 3.32Å; P1596-S1598 PolarHBondContact O-N 3Å; P1596-C1599 PolarHBondContact O-N 3Å; P1596-C1599 VanDerWaalsContact O-N 3.09Å; P1596-V1654 HydrophobicContact CB-CG1 3.95Å; P1596-V1654 HydrophobicContact CB-CG2 4.18Å; P1596-V1654 HydrophobicContact CG-CG1 3.99Å |
| 1597 | S | 93 | Very high | 91.2 | Very high | 62 Ų | 62 | 46 Ų | 46 | 43% | 0.434 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -65.1 | -26.6 | 179.8 | 9.6 | 0 | 0 | 0 | 0 | 114.6 | T1595 C1599 | T1595-S1597 WeakPolarHBondContact CB-OG 3.38Å; T1595-S1597 PolarHBondContact O-N 3.05Å; T1595-S1597 PolarHBondContact OG1-OG 2.7Å; S1597-C1599 PolarHBondContact O-N 2.64Å |
| 1598 | S | 96.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -74.7 | -6.9 | 172.5 | 62.2 | 0 | 0 | 0 | 0 | 113.1 | H1555 Y1579 T1595 P1596 | H1555-S1598 PolarHBondContact CE1-O 3.05Å; H1555-S1598 PolarHBondContact CE1-OG 3.22Å; H1555-S1598 WeakPolarHBondContact NE2-CB 3.32Å; H1555-S1598 PolarHBondContact NE2-OG 3.29Å; Y1579-S1598 WeakPolarHBondContact CB-O 3.07Å; Y1579-S1598 PolarHBondContact N-O 3.15Å; Y1579-S1598 WeakPolarHBondContact O-CA 3.36Å; Y1579-S1598 WeakPolarHBondContact O-CB 3.11Å; T1595-S1598 PolarHBondContact O-N 3.37Å; T1595-S1598 PolarHBondContact O-OG 2.68Å; P1596-S1598 VanDerWaalsContact C-N 3.32Å; P1596-S1598 PolarHBondContact O-N 3Å |
| 1599 | C | 97.2 | Very high | 91.3 | Very high | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.027 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 89.2 | -175.9 | -165.2 | 0 | 0 | 0 | 0 | 111.2 | A1553 F1574 P1596 S1597 C1652 V1654 | A1553-C1599 HydrophobicContact CB-CB 4.31Å; F1574-C1599 HydrophobicContact CE2-CB 4.41Å; F1574-C1599 VanDerWaalsContact CE2-O 3.32Å; F1574-C1599 WeakPolarHBondContact CE2-O 3.26Å; P1596-C1599 PolarHBondContact O-N 3Å; P1596-C1599 VanDerWaalsContact O-N 3.09Å; S1597-C1599 PolarHBondContact O-N 2.64Å; C1599-C1652 WeakPolarHBondContact CA-SG 3.22Å; C1599-C1652 HydrophobicContact CB-CB 3.89Å; C1599-C1652 WeakPolarHBondContact CB-SG 3.08Å; C1599-C1652 WeakPolarHBondContact SG-CB 3.11Å; C1599-C1652 CovalentContact SG-SG 2.03Å; C1599-C1652 PolarHBondContact SG-SG 3.5Å; C1599-V1654 HydrophobicContact CB-CG2 3.58Å |
| 1600 | L | 96.2 | Very high | 90.8 | Very high | 51 Ų | 51 | 45.9 Ų | 45.9 | 27% | 0.267 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 124.1 | -178.8 | -63.3 | -176.2 | 0 | 0 | 0 | 110.6 | G1576 Y1577 Y1579 K1602 P1607 W1628 | G1576-L1600 CarbonylContact C-O 3.48Å; G1576-L1600 WeakPolarHBondContact CA-O 3.31Å; Y1577-L1600 PolarHBondContact N-O 3.15Å; Y1577-L1600 PolarHBondContact O-N 3.07Å; Y1577-L1600 VanDerWaalsContact O-N 3.08Å; Y1579-L1600 HydrophobicContact CD1-CD1 3.59Å; Y1579-L1600 HydrophobicContact CD1-CG 4.05Å; Y1579-L1600 HydrophobicContact CD2-CD1 3.99Å; Y1579-L1600 HydrophobicContact CE1-CD1 4.17Å; Y1579-L1600 HydrophobicContact CG-CD1 3.49Å; Y1579-L1600 VanDerWaalsContact CG-CD1 3.49Å; Y1579-L1600 HydrophobicContact CG-CG 4Å; L1600-K1602 WeakPolarHBondContact CB-O 3.4Å; L1600-K1602 PolarHBondContact O-N 3.07Å; L1600-K1602 VanDerWaalsContact O-N 3.16Å; L1600-P1607 HydrophobicContact CD1-CB 3.62Å; L1600-P1607 HydrophobicContact CD1-CG 3.96Å; L1600-W1628 HydrophobicContact CB-CH2 4.32Å; L1600-W1628 HydrophobicContact CB-CZ3 4.36Å; L1600-W1628 HydrophobicContact CD1-CH2 3.8Å; L1600-W1628 HydrophobicContact CD1-CZ3 4.34Å |
| 1601 | S | 94.5 | Very high | 90.3 | Very high | 85 Ų | 85 | 47 Ų | 47 | 59% | 0.594 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -63.3 | -22.7 | -176.3 | 57.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1602 | K | 92.8 | Very high | 89.7 | Confident | 171 Ų | 171 | 49.5 Ų | 49.5 | 74% | 0.743 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -121.7 | 148.2 | 171.1 | -65 | -172.9 | 176.1 | -171.2 | 0 | 110.3 | L1600 | L1600-K1602 WeakPolarHBondContact CB-O 3.4Å; L1600-K1602 PolarHBondContact O-N 3.07Å; L1600-K1602 VanDerWaalsContact O-N 3.16Å |
| 1603 | F | 92.6 | Very high | 89 | Confident | 45 Ų | 45 | 60.7 Ų | 60.7 | 20% | 0.197 | 32% | 0.32 | C | S | . | . | | | trans | -90.9 | 154.8 | 168.9 | 173.6 | -114 | 0 | 0 | 0 | 110 | Y1577 W1628 V1642 T1645 I1649 | Y1577-F1603 HydrophobicContact CD1-CB 3.8Å; Y1577-F1603 HydrophobicContact CD1-CG 4.42Å; Y1577-F1603 HydrophobicContact CD2-CB 3.56Å; Y1577-F1603 HydrophobicContact CE1-CB 3.83Å; Y1577-F1603 HydrophobicContact CE2-CB 3.61Å; Y1577-F1603 VanDerWaalsContact CE2-N 3.31Å; Y1577-F1603 HydrophobicContact CG-CB 3.65Å; F1603-W1628 AromaticContact CD2-CD2 3.77Å; F1603-W1628 HydrophobicContact CD2-CD2 3.77Å; F1603-W1628 AromaticContact CD2-CE2 3.59Å; F1603-W1628 AromaticContact CD2-CE3 3.97Å; F1603-W1628 HydrophobicContact CD2-CE3 3.97Å; F1603-W1628 HydrophobicContact CD2-CG 4.43Å; F1603-W1628 AromaticContact CD2-CH2 3.88Å; F1603-W1628 HydrophobicContact CD2-CH2 3.88Å; F1603-W1628 AromaticContact CD2-CZ2 3.67Å; F1603-W1628 HydrophobicContact CD2-CZ2 3.67Å; F1603-W1628 HydrophobicContact CD2-CZ3 4.04Å; F1603-W1628 AromaticContact CE2-CD1 3.85Å; F1603-W1628 AromaticContact CE2-CD2 3.76Å; F1603-W1628 HydrophobicContact CE2-CD2 3.76Å; F1603-W1628 AromaticContact CE2-CE2 3.55Å; F1603-W1628 HydrophobicContact CE2-CE3 4.4Å; F1603-W1628 AromaticContact CE2-CG 3.97Å; F1603-W1628 HydrophobicContact CE2-CG 3.97Å; F1603-W1628 HydrophobicContact CE2-CZ2 4.04Å; F1603-W1628 AromaticContact CE2-NE1 3.59Å; F1603-V1642 HydrophobicContact CE1-CG1 3.98Å; F1603-T1645 VanDerWaalsContact CE1-OG1 3.27Å; F1603-T1645 WeakPolarHBondContact CE1-OG1 3.4Å; F1603-T1645 WeakPolarHBondContact CZ-OG1 3.43Å; F1603-I1649 HydrophobicContact CD2-CG1 4.13Å; F1603-I1649 HydrophobicContact CD2-CG2 4.19Å; F1603-I1649 HydrophobicContact CE1-CG1 4.42Å; F1603-I1649 HydrophobicContact CE2-CD1 3.72Å; F1603-I1649 HydrophobicContact CE2-CG1 3.69Å; F1603-I1649 HydrophobicContact CE2-CG2 4.38Å; F1603-I1649 HydrophobicContact CZ-CD1 3.94Å; F1603-I1649 HydrophobicContact CZ-CG1 3.86Å |
| 1604 | S | 89.3 | Confident | 88.3 | Confident | 45 Ų | 45 | 65 Ų | 65 | 32% | 0.315 | 34% | 0.342 | S | S | . | . | | | trans | -160.7 | 151 | 169 | -178.8 | 0 | 0 | 0 | 0 | 108 | L1606 W1628 | S1604-L1606 VanDerWaalsContact CB-O 3.26Å; S1604-L1606 WeakPolarHBondContact CB-O 3.41Å; S1604-L1606 PolarHBondContact O-N 3.05Å; S1604-L1606 VanDerWaalsContact OG-C 3.28Å; S1604-L1606 PolarHBondContact OG-N 3.45Å; S1604-L1606 VanDerWaalsContact OG-N 3.11Å; S1604-L1606 PolarHBondContact OG-O 2.91Å; S1604-W1628 WeakPolarHBondContact O-CZ2 3.32Å |
| 1605 | S | 88.1 | Confident | 87.6 | Confident | 20 Ų | 20 | 71.1 Ų | 71.1 | 14% | 0.14 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -62.6 | -20.1 | 166 | 50.1 | 0 | 0 | 0 | 0 | 112.4 | S1626 | S1605-S1626 WeakPolarHBondContact O-CB 3.12Å; S1605-S1626 PolarHBondContact O-OG 2.99Å |
| 1606 | L | 83.8 | Confident | 86.9 | Confident | 10 Ų | 10 | 72.1 Ų | 72.1 | 5% | 0.052 | 39% | 0.385 | C | S | . | . | | | trans | -142.2 | 109.7 | 167.9 | -175.1 | 67.6 | 0 | 0 | 0 | 110.4 | S1604 M1608 E1624 N1721 | S1604-L1606 VanDerWaalsContact CB-O 3.26Å; S1604-L1606 WeakPolarHBondContact CB-O 3.41Å; S1604-L1606 PolarHBondContact O-N 3.05Å; S1604-L1606 VanDerWaalsContact OG-C 3.28Å; S1604-L1606 PolarHBondContact OG-N 3.45Å; S1604-L1606 VanDerWaalsContact OG-N 3.11Å; S1604-L1606 PolarHBondContact OG-O 2.91Å; L1606-M1608 VanDerWaalsContact C-N 3.31Å; L1606-M1608 HydrophobicContact CD1-CG 3.96Å; L1606-M1608 WeakPolarHBondContact CD2-O 3.22Å; L1606-M1608 HydrophobicContact CG-CG 4.49Å; L1606-M1608 WeakPolarHBondContact CG-O 3.26Å; L1606-M1608 PolarHBondContact O-N 3.33Å; L1606-E1624 HydrophobicContact CD1-CB 3.56Å; L1606-E1624 HydrophobicContact CD1-CG 4.47Å; L1606-E1624 HydrophobicContact CD2-CB 4.18Å; L1606-E1624 VanDerWaalsContact CD2-CD 3.44Å; L1606-E1624 HydrophobicContact CD2-CG 4.44Å; L1606-E1624 WeakPolarHBondContact CD2-OE1 3.39Å; L1606-E1624 VanDerWaalsContact CD2-OE2 3.26Å; L1606-E1624 WeakPolarHBondContact CD2-OE2 3.24Å; L1606-E1624 HydrophobicContact CG-CB 4.5Å; L1606-N1721 HydrophobicContact CB-CB 4.13Å |
| 1607 | P | 86.1 | Confident | 86.2 | Confident | 48 Ų | 48 | 73.7 Ų | 73.7 | 31% | 0.312 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -89.2 | 13.8 | 179.4 | 34.4 | -34.3 | 0 | 0 | 0 | 114 | Y1579 L1600 W1628 | Y1579-P1607 HydrophobicContact CD2-CG 4.14Å; Y1579-P1607 HydrophobicContact CE1-CG 4.49Å; Y1579-P1607 HydrophobicContact CE2-CG 3.54Å; L1600-P1607 HydrophobicContact CD1-CB 3.62Å; L1600-P1607 HydrophobicContact CD1-CG 3.96Å; P1607-W1628 HydrophobicContact CB-CZ2 4.36Å; P1607-W1628 HydrophobicContact CG-CH2 4.47Å; P1607-W1628 HydrophobicContact CG-CZ2 4.02Å |
| 1608 | M | 80.9 | Confident | 85.2 | Confident | 62 Ų | 62 | 73.2 Ų | 73.2 | 31% | 0.305 | 39% | 0.388 | S | S | . | . | | | trans | -144.7 | -176.2 | -176.6 | 66 | 177 | 65.7 | 0 | 0 | 112.2 | Y1579 G1583 L1606 | Y1579-M1608 WeakPolarHBondContact OH-CE 3.26Å; G1583-M1608 VanDerWaalsContact CA-SD 3.53Å; L1606-M1608 VanDerWaalsContact C-N 3.31Å; L1606-M1608 HydrophobicContact CD1-CG 3.96Å; L1606-M1608 WeakPolarHBondContact CD2-O 3.22Å; L1606-M1608 HydrophobicContact CG-CG 4.49Å; L1606-M1608 WeakPolarHBondContact CG-O 3.26Å; L1606-M1608 PolarHBondContact O-N 3.33Å |
| 1609 | T | 80.4 | Confident | 84.1 | Confident | 69 Ų | 69 | 76 Ų | 76 | 42% | 0.423 | 41% | 0.407 | S | S | . | . | | | trans | -156.1 | 132.6 | -176.8 | -68.1 | 0 | 0 | 0 | 0 | 107.4 | C1617 Q1618 S1619 | T1609-C1617 HydrophobicContact CG2-CB 4Å; T1609-Q1618 WeakPolarHBondContact CG2-O 3.45Å; T1609-S1619 WeakPolarHBondContact OG1-CB 3.18Å; T1609-S1619 PolarHBondContact OG1-OG 3.08Å; T1609-S1619 VanDerWaalsContact OG1-OG 3.04Å |
| 1610 | Q | 76.2 | Confident | 82.8 | Confident | 78 Ų | 78 | 78.6 Ų | 78.6 | 36% | 0.364 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 138.6 | 176.3 | -156 | 169.9 | 28.8 | 0 | 0 | 109.6 | D1587 Q1618 | D1587-Q1610 PolarHBondContact OD2-NE2 3.32Å; Q1610-Q1618 PolarHBondContact N-O 2.69Å; Q1610-Q1618 PolarHBondContact O-N 3.08Å |
| 1611 | C | 80.1 | Confident | 81 | Confident | 71 Ų | 71 | 82.6 Ų | 82.6 | 48% | 0.48 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 133.5 | 178 | -54.4 | 0 | 0 | 0 | 0 | 110.3 | T1616 C1617 | C1611-T1616 CarbonylContact C-O 3.53Å; C1611-T1616 WeakPolarHBondContact CA-O 3.26Å; C1611-C1617 HydrophobicContact CB-CB 4.05Å; C1611-C1617 WeakPolarHBondContact CB-SG 3.42Å; C1611-C1617 WeakPolarHBondContact SG-CB 3.45Å; C1611-C1617 CovalentContact SG-SG 2.04Å; C1611-C1617 PolarHBondContact SG-SG 3.23Å |
| 1612 | E | 78 | Confident | 79.7 | Confident | 100 Ų | 100 | 83.5 Ų | 83.5 | 47% | 0.467 | 44% | 0.435 | S | S | . | . | | | trans | -84.9 | 168.4 | 175.9 | -67.3 | -166.2 | -164.5 | 0 | 0 | 111.3 | D1614 T1615 T1616 R1622 | E1612-D1614 WeakPolarHBondContact CB-OD1 3.45Å; E1612-D1614 PolarHBondContact O-N 3.07Å; E1612-T1615 PolarHBondContact O-N 2.04Å; E1612-T1616 PolarHBondContact N-O 2.7Å; E1612-R1622 IonicContact OE1-CZ 2.64Å; E1612-R1622 IonicContact OE1-NH1 2.7Å; E1612-R1622 IonicContact OE1-NH2 3.76Å; E1612-R1622 PolarHBondContact OE1-NH2 3.11Å |
| 1613 | R | 80.7 | Confident | 78.9 | Confident | 259 Ų | 259 | 81.5 Ų | 81.5 | 98% | 0.977 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -13.5 | -174.1 | -76 | -173 | -179.9 | 168.3 | 2.5 | 114.3 | T1615 | R1613-T1615 PolarHBondContact O-N 3.5Š|
| 1614 | D | 81.2 | Confident | 78.3 | Confident | 94 Ų | 94 | 79.5 Ų | 79.5 | 50% | 0.503 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 0.7 | 177.7 | 70.8 | -28.2 | 0 | 0 | 0 | 113.3 | E1612 T1616 | E1612-D1614 WeakPolarHBondContact CB-OD1 3.45Å; E1612-D1614 PolarHBondContact O-N 3.07Å; D1614-T1616 VanDerWaalsContact CG-OG1 3.29Å; D1614-T1616 VanDerWaalsContact OD1-CB 3.31Å; D1614-T1616 WeakPolarHBondContact OD1-CB 3.41Å; D1614-T1616 PolarHBondContact OD1-N 3.17Å; D1614-T1616 PolarHBondContact OD1-OG1 2.75Å; D1614-T1616 VanDerWaalsContact OD2-CB 3.26Å; D1614-T1616 WeakPolarHBondContact OD2-CB 3.01Å; D1614-T1616 PolarHBondContact OD2-OG1 3.26Å |
| 1615 | T | 79.8 | Confident | 78.1 | Confident | 133 Ų | 133 | 80.8 Ų | 80.8 | 82% | 0.816 | 42% | 0.417 | S | S | * | . | S | Bend | trans | 78.1 | 4.3 | -171.5 | 73.1 | 0 | 0 | 0 | 0 | 116 | E1612 R1613 | E1612-T1615 PolarHBondContact O-N 2.04Å; R1613-T1615 PolarHBondContact O-N 3.5Å |
| 1616 | T | 81.4 | Confident | 78.2 | Confident | 66 Ų | 66 | 79.9 Ų | 79.9 | 41% | 0.405 | 41% | 0.41 | S | S | . | . | | | trans | -77.5 | 123.8 | 172.2 | -57.7 | 0 | 0 | 0 | 0 | 110.6 | C1611 E1612 D1614 Q1618 | C1611-T1616 CarbonylContact C-O 3.53Å; C1611-T1616 WeakPolarHBondContact CA-O 3.26Å; E1612-T1616 PolarHBondContact N-O 2.7Å; D1614-T1616 VanDerWaalsContact CG-OG1 3.29Å; D1614-T1616 VanDerWaalsContact OD1-CB 3.31Å; D1614-T1616 WeakPolarHBondContact OD1-CB 3.41Å; D1614-T1616 PolarHBondContact OD1-N 3.17Å; D1614-T1616 PolarHBondContact OD1-OG1 2.75Å; D1614-T1616 VanDerWaalsContact OD2-CB 3.26Å; D1614-T1616 WeakPolarHBondContact OD2-CB 3.01Å; D1614-T1616 PolarHBondContact OD2-OG1 3.26Å; T1616-Q1618 HydrophobicContact CG2-CG 4.38Å |
| 1617 | C | 81.1 | Confident | 78.6 | Confident | 75 Ų | 75 | 79.8 Ų | 79.8 | 51% | 0.507 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 126.5 | 171.2 | -67.6 | 0 | 0 | 0 | 0 | 110.4 | T1609 C1611 | T1609-C1617 HydrophobicContact CG2-CB 4Å; C1611-C1617 HydrophobicContact CB-CB 4.05Å; C1611-C1617 WeakPolarHBondContact CB-SG 3.42Å; C1611-C1617 WeakPolarHBondContact SG-CB 3.45Å; C1611-C1617 CovalentContact SG-SG 2.04Å; C1611-C1617 PolarHBondContact SG-SG 3.23Å |
| 1618 | Q | 72.5 | Confident | 79 | Confident | 52 Ų | 52 | 77.5 Ų | 77.5 | 24% | 0.243 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 125.2 | 176 | -65.5 | -176.9 | -5.8 | 0 | 0 | 109.2 | T1609 Q1610 T1616 M1621 | T1609-Q1618 WeakPolarHBondContact CG2-O 3.45Å; Q1610-Q1618 PolarHBondContact N-O 2.69Å; Q1610-Q1618 PolarHBondContact O-N 3.08Å; T1616-Q1618 HydrophobicContact CG2-CG 4.38Å; Q1618-M1621 HydrophobicContact CG-CE 4.39Å |
| 1619 | S | 74.3 | Confident | 79.6 | Confident | 59 Ų | 59 | 74.6 Ų | 74.6 | 41% | 0.413 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -127.1 | 126 | 177.5 | -169.8 | 0 | 0 | 0 | 0 | 108.1 | T1609 M1621 | T1609-S1619 WeakPolarHBondContact OG1-CB 3.18Å; T1609-S1619 PolarHBondContact OG1-OG 3.08Å; T1609-S1619 VanDerWaalsContact OG1-OG 3.04Å; S1619-M1621 VanDerWaalsContact C-N 3.29Å; S1619-M1621 PolarHBondContact O-N 2.98Å |
| 1620 | S | 68.6 | Low | 80.2 | Confident | 58 Ų | 58 | 71.3 Ų | 71.3 | 41% | 0.406 | 36% | 0.36 | S | S | . | . | S | Bend | trans | 60.2 | 32.9 | 178.2 | -57.1 | 0 | 0 | 0 | 0 | 114.8 | E1624 N1721 | S1620-E1624 PolarHBondContact N-OE2 3.03Å; S1620-E1624 VanDerWaalsContact N-OE2 3.08Å; S1620-N1721 WeakPolarHBondContact CA-ND2 3.11Å |
| 1621 | M | 59.5 | Low | 81 | Confident | 134 Ų | 134 | 67.6 Ų | 67.6 | 66% | 0.66 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -127.5 | 2.5 | 179.1 | -63.9 | -152.3 | -62.4 | 0 | 0 | 114.7 | Q1618 S1619 | Q1618-M1621 HydrophobicContact CG-CE 4.39Å; S1619-M1621 VanDerWaalsContact C-N 3.29Å; S1619-M1621 PolarHBondContact O-N 2.98Å |
| 1622 | R | 66.2 | Low | 81.5 | Confident | 105 Ų | 105 | 65.8 Ų | 65.8 | 40% | 0.396 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -124 | 174.8 | 168.8 | -65.6 | -169.3 | -172.8 | -161.4 | 2.7 | 109.8 | E1612 E1624 N1721 N1722 | E1612-R1622 IonicContact OE1-CZ 2.64Å; E1612-R1622 IonicContact OE1-NH1 2.7Å; E1612-R1622 IonicContact OE1-NH2 3.76Å; E1612-R1622 PolarHBondContact OE1-NH2 3.11Å; R1622-E1624 HydrophobicContact CB-CG 4.06Å; R1622-E1624 PolarHBondContact O-N 2.98Å; R1622-N1721 PolarHBondContact O-ND2 3.09Å; R1622-N1721 PolarHBondContact O-OD1 2.99Å; R1622-N1721 VanDerWaalsContact O-OD1 3.06Å; R1622-N1722 PolarHBondContact O-ND2 2.97Å; R1622-N1722 PolarHBondContact O-OD1 3.11Å; R1622-N1722 VanDerWaalsContact O-OD1 3.07Å |
| 1623 | H | 75.9 | Confident | 82 | Confident | 128 Ų | 128 | 62 Ų | 62 | 59% | 0.593 | 31% | 0.311 | S | S | * | . | | | trans | -71.5 | 45.9 | 178.8 | -58.9 | -75.8 | 0 | 0 | 0 | 113.7 | V1585 | V1585-H1623 HydrophobicContact CG2-CB 3.98Å; V1585-H1623 WeakPolarHBondContact CG2-O 3.34Å |
| 1624 | E | 80.6 | Confident | 82.3 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.019 | 29% | 0.293 | C | S | . | . | | | trans | -72.9 | 130.1 | -176.5 | -49.4 | 162.1 | 93.3 | 0 | 0 | 109.6 | G1583 L1606 S1620 R1622 N1721 | G1583-E1624 CarbonylContact O-C 3.3Å; G1583-E1624 VanDerWaalsContact O-CA 3.24Å; G1583-E1624 WeakPolarHBondContact O-CA 3.44Å; L1606-E1624 HydrophobicContact CD1-CB 3.56Å; L1606-E1624 HydrophobicContact CD1-CG 4.47Å; L1606-E1624 HydrophobicContact CD2-CB 4.18Å; L1606-E1624 VanDerWaalsContact CD2-CD 3.44Å; L1606-E1624 HydrophobicContact CD2-CG 4.44Å; L1606-E1624 WeakPolarHBondContact CD2-OE1 3.39Å; L1606-E1624 VanDerWaalsContact CD2-OE2 3.26Å; L1606-E1624 WeakPolarHBondContact CD2-OE2 3.24Å; L1606-E1624 HydrophobicContact CG-CB 4.5Å; S1620-E1624 PolarHBondContact N-OE2 3.03Å; S1620-E1624 VanDerWaalsContact N-OE2 3.08Å; R1622-E1624 HydrophobicContact CB-CG 4.06Å; R1622-E1624 PolarHBondContact O-N 2.98Å; E1624-N1721 WeakPolarHBondContact CB-ND2 3.37Å; E1624-N1721 PolarHBondContact N-OD1 3.23Å; E1624-N1721 PolarHBondContact O-OD1 2.59Å; E1624-N1721 PolarHBondContact OE2-ND2 3.06Å |
| 1625 | R | 85.8 | Confident | 82.6 | Confident | 72 Ų | 72 | 54.6 Ų | 54.6 | 27% | 0.272 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 148.1 | -177.5 | -56.5 | -175 | -174.1 | -156.3 | 10.4 | 110 | G1582 G1583 L1588 Y1627 E1718 | G1582-R1625 CarbonylContact C-O 3.19Å; G1582-R1625 WeakPolarHBondContact CA-O 3.19Å; G1583-R1625 PolarHBondContact N-O 2.75Å; G1583-R1625 VanDerWaalsContact N-O 3.1Å; G1583-R1625 PolarHBondContact O-N 2.99Å; L1588-R1625 HydrophobicContact CD2-CB 4.33Å; R1625-Y1627 HydrophobicContact CB-CE2 3.9Å; R1625-Y1627 VanDerWaalsContact CD-OH 3.22Å; R1625-Y1627 WeakPolarHBondContact CD-OH 3.47Å; R1625-E1718 WeakPolarHBondContact CD-OE2 2.83Å; R1625-E1718 IonicContact CZ-OE1 2.65Å; R1625-E1718 IonicContact CZ-OE2 3.72Å; R1625-E1718 IonicContact NE-OE1 3.24Å; R1625-E1718 VanDerWaalsContact NH1-CD 3.28Å; R1625-E1718 IonicContact NH1-OE1 2.71Å; R1625-E1718 PolarHBondContact NH1-OE1 3.31Å; R1625-E1718 IonicContact NH1-OE2 3.5Å; R1625-E1718 PolarHBondContact NH1-OE2 3.3Å |
| 1626 | S | 90 | Very high | 82.9 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 141.2 | 165.4 | 67.1 | 0 | 0 | 0 | 0 | 110.7 | M1581 S1605 W1628 C1719 | M1581-S1626 WeakPolarHBondContact O-CA 3.08Å; S1605-S1626 WeakPolarHBondContact O-CB 3.12Å; S1605-S1626 PolarHBondContact O-OG 2.99Å; S1626-W1628 PolarHBondContact OG-NE1 2.7Å; S1626-C1719 PolarHBondContact N-O 2.86Å; S1626-C1719 PolarHBondContact O-N 2.8Å |
| 1627 | Y | 91.8 | Very high | 83.2 | Confident | 8 Ų | 8 | 50.2 Ų | 50.2 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 131.8 | -178.4 | -63.3 | -86.8 | 0 | 0 | 0 | 109.2 | V1580 M1581 L1588 R1625 V1716 I1717 E1718 | V1580-Y1627 WeakPolarHBondContact CA-O 3.31Å; V1580-Y1627 WeakPolarHBondContact CB-O 3.31Å; V1580-Y1627 PolarHBondContact N-O 2.79Å; M1581-Y1627 HydrophobicContact CB-CD2 3.96Å; M1581-Y1627 HydrophobicContact CB-CG 4.43Å; M1581-Y1627 HydrophobicContact CG-CD2 3.92Å; M1581-Y1627 PolarHBondContact N-O 2.94Å; M1581-Y1627 PolarHBondContact O-N 3.43Å; M1581-Y1627 HydrophobicContact SD-CD2 3.6Å; M1581-Y1627 HydrophobicContact SD-CE2 3.82Å; M1581-Y1627 HydrophobicContact SD-CG 4.44Å; L1588-Y1627 HydrophobicContact CD1-CE2 3.94Å; L1588-Y1627 HydrophobicContact CD2-CD2 4.5Å; L1588-Y1627 HydrophobicContact CD2-CE2 4Å; R1625-Y1627 HydrophobicContact CB-CE2 3.9Å; R1625-Y1627 VanDerWaalsContact CD-OH 3.22Å; R1625-Y1627 WeakPolarHBondContact CD-OH 3.47Å; Y1627-V1716 HydrophobicContact CD1-CG1 4.03Å; Y1627-V1716 HydrophobicContact CG-CG1 4.39Å; Y1627-I1717 WeakPolarHBondContact CA-O 3.04Å; Y1627-E1718 HydrophobicContact CD1-CB 3.91Å; Y1627-E1718 HydrophobicContact CD1-CG 4.11Å; Y1627-E1718 HydrophobicContact CE1-CB 3.59Å; Y1627-E1718 HydrophobicContact CE1-CG 3.51Å; Y1627-E1718 VanDerWaalsContact CE1-OE2 3.28Å; Y1627-E1718 WeakPolarHBondContact CE1-OE2 3.09Å; Y1627-E1718 VanDerWaalsContact CZ-OE2 3.29Å; Y1627-E1718 PolarHBondContact OH-OE2 3.25Å |
| 1628 | W | 93.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 146.8 | -174.2 | -60 | 84.3 | 0 | 0 | 0 | 109.9 | S1578 Y1579 L1600 F1603 S1604 P1607 S1626 I1649 V1716 I1717 | S1578-W1628 CarbonylContact O-C 3.59Å; S1578-W1628 WeakPolarHBondContact O-CA 3.47Å; Y1579-W1628 HydrophobicContact CD2-CD2 4.08Å; Y1579-W1628 AromaticContact CD2-CE2 3.89Å; Y1579-W1628 HydrophobicContact CD2-CE3 4.11Å; Y1579-W1628 AromaticContact CD2-CH2 3.84Å; Y1579-W1628 HydrophobicContact CD2-CH2 3.84Å; Y1579-W1628 AromaticContact CD2-CZ2 3.78Å; Y1579-W1628 HydrophobicContact CD2-CZ2 3.78Å; Y1579-W1628 AromaticContact CD2-CZ3 3.99Å; Y1579-W1628 HydrophobicContact CD2-CZ3 3.99Å; Y1579-W1628 HydrophobicContact CE2-CZ2 4.3Å; Y1579-W1628 HydrophobicContact CG-CH2 4.31Å; Y1579-W1628 HydrophobicContact CG-CZ3 4.24Å; L1600-W1628 HydrophobicContact CB-CH2 4.32Å; L1600-W1628 HydrophobicContact CB-CZ3 4.36Å; L1600-W1628 HydrophobicContact CD1-CH2 3.8Å; L1600-W1628 HydrophobicContact CD1-CZ3 4.34Å; F1603-W1628 AromaticContact CD2-CD2 3.77Å; F1603-W1628 HydrophobicContact CD2-CD2 3.77Å; F1603-W1628 AromaticContact CD2-CE2 3.59Å; F1603-W1628 AromaticContact CD2-CE3 3.97Å; F1603-W1628 HydrophobicContact CD2-CE3 3.97Å; F1603-W1628 HydrophobicContact CD2-CG 4.43Å; F1603-W1628 AromaticContact CD2-CH2 3.88Å; F1603-W1628 HydrophobicContact CD2-CH2 3.88Å; F1603-W1628 AromaticContact CD2-CZ2 3.67Å; F1603-W1628 HydrophobicContact CD2-CZ2 3.67Å; F1603-W1628 HydrophobicContact CD2-CZ3 4.04Å; F1603-W1628 AromaticContact CE2-CD1 3.85Å; F1603-W1628 AromaticContact CE2-CD2 3.76Å; F1603-W1628 HydrophobicContact CE2-CD2 3.76Å; F1603-W1628 AromaticContact CE2-CE2 3.55Å; F1603-W1628 HydrophobicContact CE2-CE3 4.4Å; F1603-W1628 AromaticContact CE2-CG 3.97Å; F1603-W1628 HydrophobicContact CE2-CG 3.97Å; F1603-W1628 HydrophobicContact CE2-CZ2 4.04Å; F1603-W1628 AromaticContact CE2-NE1 3.59Å; S1604-W1628 WeakPolarHBondContact O-CZ2 3.32Å; P1607-W1628 HydrophobicContact CB-CZ2 4.36Å; P1607-W1628 HydrophobicContact CG-CH2 4.47Å; P1607-W1628 HydrophobicContact CG-CZ2 4.02Å; S1626-W1628 PolarHBondContact OG-NE1 2.7Å; W1628-I1649 HydrophobicContact CB-CD1 3.93Å; W1628-I1649 HydrophobicContact CB-CG2 4.14Å; W1628-I1649 HydrophobicContact CD2-CG2 4.39Å; W1628-I1649 HydrophobicContact CE3-CG2 4.07Å; W1628-I1649 HydrophobicContact CG-CD1 4.24Å; W1628-I1649 HydrophobicContact CG-CG2 4.44Å; W1628-V1716 CarbonylContact O-C 3.41Å; W1628-V1716 WeakPolarHBondContact O-CA 3.33Å; W1628-I1717 HydrophobicContact CB-CG2 4.04Å; W1628-I1717 PolarHBondContact N-O 3.07Å; W1628-I1717 PolarHBondContact O-N 3.12Å |
| 1629 | L | 93.8 | Very high | 84.3 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 134.2 | 176.5 | -159 | 81.5 | 0 | 0 | 0 | 108.2 | H1555 Q1557 S1578 V1580 L1593 A1650 M1708 P1715 | H1555-L1629 HydrophobicContact CB-CD2 3.73Å; Q1557-L1629 HydrophobicContact CG-CD2 4.2Å; S1578-L1629 VanDerWaalsContact CB-CB 3.42Å; S1578-L1629 PolarHBondContact O-N 2.82Å; V1580-L1629 HydrophobicContact CG2-CB 3.97Å; V1580-L1629 HydrophobicContact CG2-CD1 4.3Å; V1580-L1629 VanDerWaalsContact CG2-N 3.28Å; L1593-L1629 HydrophobicContact CD1-CD1 4.07Å; L1629-A1650 HydrophobicContact CB-CB 4.13Å; L1629-A1650 HydrophobicContact CD2-CB 4.3Å; L1629-A1650 HydrophobicContact CG-CB 4.48Å; L1629-A1650 WeakPolarHBondContact O-CB 3.47Å; L1629-A1650 PolarHBondContact O-N 2.86Å; L1629-M1708 HydrophobicContact CD1-CE 3.83Å; L1629-M1708 HydrophobicContact CD1-SD 4.04Å; L1629-M1708 HydrophobicContact CD2-CE 3.95Å; L1629-M1708 HydrophobicContact CD2-SD 3.85Å; L1629-M1708 HydrophobicContact CG-CE 4.18Å; L1629-P1715 CarbonylContact C-O 3.33Å; L1629-P1715 WeakPolarHBondContact CA-O 3.34Å; L1629-P1715 HydrophobicContact CD1-CB 4.39Å; L1629-P1715 WeakPolarHBondContact CD1-O 3.46Å |
| 1630 | A | 92.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -87.4 | 147.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1557 Q1648 P1715 Y1728 | Q1557-A1630 PolarHBondContact NE2-O 3.38Å; A1630-Q1648 CarbonylContact C-O 3.57Å; A1630-Q1648 WeakPolarHBondContact CA-O 3.28Å; A1630-P1715 PolarHBondContact N-O 3.42Å; A1630-Y1728 HydrophobicContact CB-CE1 3.63Å |
| 1631 | T | 93.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.242 | C | C | . | . | | | trans | -70.2 | 178.9 | 172.3 | 64.2 | 0 | 0 | 0 | 0 | 112.1 | Q1557 T1558 P1559 V1633 D1647 Q1648 A1650 R1712 | Q1557-T1631 CarbonylContact O-C 3.59Å; Q1557-T1631 WeakPolarHBondContact O-CA 3.45Å; T1558-T1631 VanDerWaalsContact C-CG2 3.47Å; P1559-T1631 HydrophobicContact CB-CG2 4.17Å; P1559-T1631 HydrophobicContact CG-CG2 4.41Å; T1631-V1633 VanDerWaalsContact C-N 3.31Å; T1631-V1633 WeakPolarHBondContact OG1-CB 3.4Å; T1631-V1633 WeakPolarHBondContact OG1-CG2 3.31Å; T1631-V1633 PolarHBondContact OG1-N 2.77Å; T1631-D1647 WeakPolarHBondContact CB-O 3.22Å; T1631-D1647 VanDerWaalsContact CG2-O 3.22Å; T1631-D1647 WeakPolarHBondContact CG2-O 3.49Å; T1631-D1647 PolarHBondContact OG1-O 3.21Å; T1631-Q1648 WeakPolarHBondContact CG2-O 3.22Å; T1631-Q1648 PolarHBondContact N-O 3.33Å; T1631-A1650 HydrophobicContact CG2-CB 4.32Å; T1631-R1712 VanDerWaalsContact O-CZ 3.27Å; T1631-R1712 PolarHBondContact O-NE 2.74Å; T1631-R1712 PolarHBondContact O-NH2 3.49Å |
| 1632 | L | 89.7 | Confident | 87.7 | Confident | 32 Ų | 32 | 44.2 Ų | 44.2 | 17% | 0.168 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -80.5 | -5.5 | 171.6 | -69 | -178.3 | 0 | 0 | 0 | 114.2 | V732 Q1557 H1710 R1712 | V732-L1632 HydrophobicContact CB-CD1 4.4Å; V732-L1632 HydrophobicContact CG1-CD1 3.93Å; V732-L1632 HydrophobicContact CG2-CD1 3.67Å; Q1557-L1632 HydrophobicContact CB-CD2 4.19Å; Q1557-L1632 HydrophobicContact CB-CG 3.89Å; Q1557-L1632 WeakPolarHBondContact O-CG 3.31Å; Q1557-L1632 PolarHBondContact O-N 3.17Å; L1632-H1710 HydrophobicContact CD2-CB 4.18Å; L1632-R1712 HydrophobicContact CD2-CG 4.3Å; L1632-R1712 PolarHBondContact O-NH1 3.4Å |
| 1633 | V | 89.4 | Confident | 88.6 | Confident | 20 Ų | 20 | 45 Ų | 45 | 12% | 0.121 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -57.3 | 148.2 | 176.2 | -177 | 0 | 0 | 0 | 0 | 109.9 | W728 T1631 R1635 D1647 R1712 | W728-V1633 HydrophobicContact CZ2-CG2 4.48Å; T1631-V1633 VanDerWaalsContact C-N 3.31Å; T1631-V1633 WeakPolarHBondContact OG1-CB 3.4Å; T1631-V1633 WeakPolarHBondContact OG1-CG2 3.31Å; T1631-V1633 PolarHBondContact OG1-N 2.77Å; V1633-R1635 PolarHBondContact O-N 2.96Å; V1633-D1647 WeakPolarHBondContact CG2-O 3.48Å; V1633-R1712 PolarHBondContact O-NH2 3.28Å |
| 1634 | P | 86.6 | Confident | 89.3 | Confident | 92 Ų | 92 | 44.5 Ų | 44.5 | 60% | 0.597 | 23% | 0.23 | S | C | * | . | P | Polyproline II helix | trans | -54.7 | 134 | 169.2 | -26.8 | 35.8 | 0 | 0 | 0 | 110.9 | | |
| 1635 | R | 87 | Confident | 89.8 | Confident | 106 Ų | 106 | 44.3 Ų | 44.3 | 40% | 0.4 | 23% | 0.229 | S | C | . | . | P | Polyproline II helix | trans | -58.2 | 149.4 | 175.1 | 67.8 | 174.6 | -167.6 | -177.1 | 4.4 | 110.7 | V1633 E1637 Y1728 | V1633-R1635 PolarHBondContact O-N 2.96Å; R1635-E1637 IonicContact CZ-OE1 3.44Å; R1635-E1637 IonicContact NE-OE1 3.12Å; R1635-E1637 PolarHBondContact NE-OE1 3.4Å; R1635-E1637 IonicContact NH2-OE1 3.48Å; R1635-E1637 PolarHBondContact NH2-OE1 2.8Å; R1635-Y1728 HydrophobicContact CB-CD1 4.44Å; R1635-Y1728 HydrophobicContact CB-CD2 3.58Å; R1635-Y1728 HydrophobicContact CB-CE1 4.46Å; R1635-Y1728 HydrophobicContact CB-CE2 3.63Å; R1635-Y1728 HydrophobicContact CB-CG 3.99Å |
| 1636 | S | 86.8 | Confident | 90 | Very high | 39 Ų | 39 | 44 Ų | 44 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -68.9 | 151.7 | 156.7 | -172.8 | 0 | 0 | 0 | 0 | 110.1 | Q1638 I1640 | S1636-Q1638 WeakPolarHBondContact CB-O 3.49Å; S1636-Q1638 PolarHBondContact OG-N 3.37Å; S1636-Q1638 PolarHBondContact OG-O 3.18Å; S1636-I1640 VanDerWaalsContact CB-CD1 3.47Å |
| 1637 | E | 86.8 | Confident | 90.1 | Very high | 68 Ų | 68 | 47.3 Ų | 47.3 | 32% | 0.318 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -105.1 | 6.7 | 167.8 | -50.6 | -153.8 | 130.3 | 0 | 0 | 112.2 | T234 N235 R1635 | T234-E1637 WeakPolarHBondContact CB-OE2 3.26Å; T234-E1637 PolarHBondContact OG1-OE2 3.07Å; T234-E1637 VanDerWaalsContact OG1-OE2 3.14Å; N235-E1637 PolarHBondContact ND2-OE2 3.2Å; R1635-E1637 IonicContact CZ-OE1 3.44Å; R1635-E1637 IonicContact NE-OE1 3.12Å; R1635-E1637 PolarHBondContact NE-OE1 3.4Å; R1635-E1637 IonicContact NH2-OE1 3.48Å; R1635-E1637 PolarHBondContact NH2-OE1 2.8Å |
| 1638 | Q | 88.1 | Confident | 90.2 | Very high | 99 Ų | 99 | 47.3 Ų | 47.3 | 46% | 0.463 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -123.3 | 156.9 | 172.1 | -68.6 | -173 | -33.9 | 0 | 0 | 110.4 | Y233 S1636 I1640 | Y233-Q1638 VanDerWaalsContact CE2-NE2 3.31Å; Y233-Q1638 PolarHBondContact OH-NE2 3.31Å; S1636-Q1638 WeakPolarHBondContact CB-O 3.49Å; S1636-Q1638 PolarHBondContact OG-N 3.37Å; S1636-Q1638 PolarHBondContact OG-O 3.18Å; Q1638-I1640 PolarHBondContact O-N 3.31Å |
| 1639 | P | 89.5 | Confident | 90.2 | Very high | 71 Ų | 71 | 47.3 Ų | 47.3 | 46% | 0.461 | 26% | 0.26 | S | S | . | . | | | trans | -54.7 | 137.4 | 169.1 | -14.5 | 22.5 | 0 | 0 | 0 | 111 | M1725 H1727 | P1639-M1725 HydrophobicContact CB-CB 4.3Å; P1639-M1725 HydrophobicContact CB-CG 4.23Å; P1639-M1725 HydrophobicContact CB-SD 3.8Å; P1639-H1727 VanDerWaalsContact CA-CD2 3.44Å; P1639-H1727 WeakPolarHBondContact CA-CD2 3.3Å; P1639-H1727 VanDerWaalsContact N-CD2 3.31Å |
| 1640 | I | 92.9 | Very high | 90.3 | Very high | 15 Ų | 15 | 47.2 Ų | 47.2 | 8% | 0.077 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 120.8 | -176.2 | -46.6 | 176.2 | 0 | 0 | 0 | 108.7 | S1636 Q1638 V1642 Q1644 T1645 Q1648 I1717 M1725 C1726 | S1636-I1640 VanDerWaalsContact CB-CD1 3.47Å; Q1638-I1640 PolarHBondContact O-N 3.31Å; I1640-V1642 PolarHBondContact O-N 3.04Å; I1640-Q1644 HydrophobicContact CG2-CB 4.06Å; I1640-T1645 HydrophobicContact CB-CG2 4Å; I1640-T1645 HydrophobicContact CG2-CG2 3.77Å; I1640-Q1648 HydrophobicContact CD1-CG 3.6Å; I1640-I1717 HydrophobicContact CD1-CD1 4.26Å; I1640-M1725 VanDerWaalsContact C-SD 3.53Å; I1640-M1725 CarbonylContact O-C 3.07Å; I1640-M1725 WeakPolarHBondContact O-CA 3.41Å; I1640-C1726 PolarHBondContact N-O 3.24Å; I1640-C1726 PolarHBondContact O-N 3.13Å |
| 1641 | P | 91.4 | Very high | 90.5 | Very high | 35 Ų | 35 | 48.1 Ų | 48.1 | 23% | 0.227 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 136.6 | 170.9 | -28.5 | 37.3 | 0 | 0 | 0 | 111.6 | D1643 Q1644 T1645 M1725 | P1641-D1643 WeakPolarHBondContact CB-OD1 3.4Å; P1641-D1643 PolarHBondContact O-N 2.71Å; P1641-D1643 VanDerWaalsContact O-N 3.14Å; P1641-Q1644 WeakPolarHBondContact O-CA 3.37Å; P1641-Q1644 WeakPolarHBondContact O-CB 3.46Å; P1641-Q1644 PolarHBondContact O-N 2.91Å; P1641-T1645 PolarHBondContact O-N 3.02Å; P1641-M1725 HydrophobicContact CB-SD 4.43Å; P1641-M1725 HydrophobicContact CG-CE 4.04Å; P1641-M1725 HydrophobicContact CG-SD 3.99Å; P1641-M1725 VanDerWaalsContact N-SD 3.43Å |
| 1642 | V | 88.6 | Confident | 90.6 | Very high | 33 Ų | 33 | 48.1 Ų | 48.1 | 20% | 0.2 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -57.1 | -32.9 | -170.8 | 161 | 0 | 0 | 0 | 0 | 113.3 | F1603 I1640 Q1644 T1645 G1724 | F1603-V1642 HydrophobicContact CE1-CG1 3.98Å; I1640-V1642 PolarHBondContact O-N 3.04Å; V1642-Q1644 VanDerWaalsContact C-N 3.28Å; V1642-Q1644 PolarHBondContact O-N 2.84Å; V1642-T1645 PolarHBondContact O-N 3.26Å; V1642-T1645 PolarHBondContact O-OG1 2.81Å; V1642-G1724 WeakPolarHBondContact CG2-O 3.31Å; V1642-G1724 PolarHBondContact N-O 3.14Å |
| 1643 | D | 86.3 | Confident | 91 | Very high | 120 Ų | 120 | 46.6 Ų | 46.6 | 64% | 0.642 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -61.9 | -30.7 | 172.6 | 60.8 | -59.1 | 0 | 0 | 0 | 113.6 | P1641 | P1641-D1643 WeakPolarHBondContact CB-OD1 3.4Å; P1641-D1643 PolarHBondContact O-N 2.71Å; P1641-D1643 VanDerWaalsContact O-N 3.14Å |
| 1644 | Q | 90.4 | Very high | 91.4 | Very high | 118 Ų | 118 | 45.7 Ų | 45.7 | 55% | 0.551 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -93.4 | -7.5 | -177.3 | -76.1 | 157.1 | 64.5 | 0 | 0 | 113.7 | I1640 P1641 V1642 A1646 | I1640-Q1644 HydrophobicContact CG2-CB 4.06Å; P1641-Q1644 WeakPolarHBondContact O-CA 3.37Å; P1641-Q1644 WeakPolarHBondContact O-CB 3.46Å; P1641-Q1644 PolarHBondContact O-N 2.91Å; V1642-Q1644 VanDerWaalsContact C-N 3.28Å; V1642-Q1644 PolarHBondContact O-N 2.84Å; Q1644-A1646 PolarHBondContact O-N 3.26Å; Q1644-A1646 VanDerWaalsContact O-N 3.12Å |
| 1645 | T | 91.8 | Very high | 91.9 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -71.1 | -3.6 | -177.7 | 61.1 | 0 | 0 | 0 | 0 | 115.3 | F1603 I1640 P1641 V1642 D1647 Q1648 I1649 C1726 | F1603-T1645 VanDerWaalsContact CE1-OG1 3.27Å; F1603-T1645 WeakPolarHBondContact CE1-OG1 3.4Å; F1603-T1645 WeakPolarHBondContact CZ-OG1 3.43Å; I1640-T1645 HydrophobicContact CB-CG2 4Å; I1640-T1645 HydrophobicContact CG2-CG2 3.77Å; P1641-T1645 PolarHBondContact O-N 3.02Å; V1642-T1645 PolarHBondContact O-N 3.26Å; V1642-T1645 PolarHBondContact O-OG1 2.81Å; T1645-D1647 PolarHBondContact O-N 2.85Å; T1645-Q1648 WeakPolarHBondContact O-CA 3.3Å; T1645-Q1648 WeakPolarHBondContact O-CB 3.18Å; T1645-Q1648 PolarHBondContact O-N 3.25Å; T1645-I1649 PolarHBondContact O-N 3.22Å; T1645-I1649 VanDerWaalsContact O-N 3.17Å; T1645-C1726 HydrophobicContact CG2-CB 3.76Å |
| 1646 | A | 89.1 | Confident | 92.3 | Very high | 64 Ų | 64 | 38.4 Ų | 38.4 | 53% | 0.529 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -59.4 | -22.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | P1559 Q1644 | P1559-A1646 WeakPolarHBondContact CB-O 3.36Å; Q1644-A1646 PolarHBondContact O-N 3.26Å; Q1644-A1646 VanDerWaalsContact O-N 3.12Å |
| 1647 | D | 92.5 | Very high | 92.6 | Very high | 70 Ų | 70 | 36.6 Ų | 36.6 | 37% | 0.374 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -88.5 | -17.2 | 174 | 78.8 | -31.2 | 0 | 0 | 0 | 113.7 | T1631 V1633 T1645 | T1631-D1647 WeakPolarHBondContact CB-O 3.22Å; T1631-D1647 VanDerWaalsContact CG2-O 3.22Å; T1631-D1647 WeakPolarHBondContact CG2-O 3.49Å; T1631-D1647 PolarHBondContact OG1-O 3.21Å; V1633-D1647 WeakPolarHBondContact CG2-O 3.48Å; T1645-D1647 PolarHBondContact O-N 2.85Å |
| 1648 | Q | 92.9 | Very high | 92.9 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -30.5 | 180 | -55.4 | -58.2 | -58.9 | 0 | 0 | 113.4 | A1630 T1631 I1640 T1645 A1650 I1717 Y1728 | A1630-Q1648 CarbonylContact C-O 3.57Å; A1630-Q1648 WeakPolarHBondContact CA-O 3.28Å; T1631-Q1648 WeakPolarHBondContact CG2-O 3.22Å; T1631-Q1648 PolarHBondContact N-O 3.33Å; I1640-Q1648 HydrophobicContact CD1-CG 3.6Å; T1645-Q1648 WeakPolarHBondContact O-CA 3.3Å; T1645-Q1648 WeakPolarHBondContact O-CB 3.18Å; T1645-Q1648 PolarHBondContact O-N 3.25Å; Q1648-A1650 PolarHBondContact O-N 3Å; Q1648-I1717 HydrophobicContact CB-CD1 4.18Å; Q1648-Y1728 VanDerWaalsContact OE1-CE2 3.31Å; Q1648-Y1728 PolarHBondContact OE1-OH 2.73Å |
| 1649 | I | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -81.9 | 118 | -177.4 | -49 | -56.8 | 0 | 0 | 0 | 111.2 | Y1577 F1603 W1628 T1645 I1717 | Y1577-I1649 HydrophobicContact CD1-CB 4.17Å; Y1577-I1649 HydrophobicContact CD1-CG2 3.71Å; Y1577-I1649 HydrophobicContact CG-CG2 4.31Å; F1603-I1649 HydrophobicContact CD2-CG1 4.13Å; F1603-I1649 HydrophobicContact CD2-CG2 4.19Å; F1603-I1649 HydrophobicContact CE1-CG1 4.42Å; F1603-I1649 HydrophobicContact CE2-CD1 3.72Å; F1603-I1649 HydrophobicContact CE2-CG1 3.69Å; F1603-I1649 HydrophobicContact CE2-CG2 4.38Å; F1603-I1649 HydrophobicContact CZ-CD1 3.94Å; F1603-I1649 HydrophobicContact CZ-CG1 3.86Å; W1628-I1649 HydrophobicContact CB-CD1 3.93Å; W1628-I1649 HydrophobicContact CB-CG2 4.14Å; W1628-I1649 HydrophobicContact CD2-CG2 4.39Å; W1628-I1649 HydrophobicContact CE3-CG2 4.07Å; W1628-I1649 HydrophobicContact CG-CD1 4.24Å; W1628-I1649 HydrophobicContact CG-CG2 4.44Å; T1645-I1649 PolarHBondContact O-N 3.22Å; T1645-I1649 VanDerWaalsContact O-N 3.17Å; I1649-I1717 HydrophobicContact CD1-CG2 3.7Å |
| 1650 | A | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 142.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1556 S1578 L1629 T1631 Q1648 | Y1556-A1650 WeakPolarHBondContact O-CB 3.46Å; S1578-A1650 WeakPolarHBondContact CB-O 3.38Å; S1578-A1650 PolarHBondContact N-O 2.83Å; S1578-A1650 VanDerWaalsContact OG-C 3.28Å; S1578-A1650 PolarHBondContact OG-O 3.21Å; L1629-A1650 HydrophobicContact CB-CB 4.13Å; L1629-A1650 HydrophobicContact CD2-CB 4.3Å; L1629-A1650 HydrophobicContact CG-CB 4.48Å; L1629-A1650 WeakPolarHBondContact O-CB 3.47Å; L1629-A1650 PolarHBondContact O-N 2.86Å; T1631-A1650 HydrophobicContact CG2-CB 4.32Å; Q1648-A1650 PolarHBondContact O-N 3Å |
| 1651 | R | 96.6 | Very high | 93.2 | Very high | 20 Ų | 20 | 33.8 Ų | 33.8 | 8% | 0.075 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 153.4 | 177.4 | -60.2 | -62.7 | -65.8 | 168.3 | -5.9 | 112.1 | Y1556 T1558 P1559 L1564 G1576 S1578 | Y1556-R1651 PolarHBondContact N-O 2.87Å; Y1556-R1651 PolarHBondContact O-N 2.91Å; T1558-R1651 WeakPolarHBondContact O-CB 3.22Å; T1558-R1651 VanDerWaalsContact O-CG 3.26Å; T1558-R1651 WeakPolarHBondContact O-CG 3.41Å; T1558-R1651 PolarHBondContact O-N 3.21Å; P1559-R1651 WeakPolarHBondContact O-CG 3.27Å; L1564-R1651 HydrophobicContact CD1-CB 3.77Å; L1564-R1651 HydrophobicContact CD2-CB 3.65Å; L1564-R1651 HydrophobicContact CG-CB 4.39Å; G1576-R1651 VanDerWaalsContact C-NH1 3.31Å; G1576-R1651 WeakPolarHBondContact O-CA 3.31Å; G1576-R1651 PolarHBondContact O-NE 3.45Å; G1576-R1651 PolarHBondContact O-NH1 3.3Å; S1578-R1651 PolarHBondContact OG-O 3.46Å |
| 1652 | C | 96.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 159.3 | 177.4 | 59.3 | 0 | 0 | 0 | 0 | 111.6 | R1554 L1564 T1575 G1576 Y1577 C1599 | R1554-C1652 VanDerWaalsContact O-CA 3.31Å; R1554-C1652 WeakPolarHBondContact O-CA 3.36Å; L1564-C1652 VanDerWaalsContact CD2-O 3.31Å; L1564-C1652 WeakPolarHBondContact CD2-O 3.33Å; T1575-C1652 CarbonylContact C-O 2.99Å; T1575-C1652 WeakPolarHBondContact CA-O 3.29Å; T1575-C1652 WeakPolarHBondContact CB-O 3.26Å; G1576-C1652 PolarHBondContact N-O 2.64Å; G1576-C1652 PolarHBondContact O-N 3.14Å; G1576-C1652 PolarHBondContact O-SG 2.89Å; G1576-C1652 VanDerWaalsContact O-SG 3.35Å; Y1577-C1652 VanDerWaalsContact C-SG 3.51Å; Y1577-C1652 PolarHBondContact O-SG 2.83Å; Y1577-C1652 VanDerWaalsContact O-SG 3.33Å; C1599-C1652 WeakPolarHBondContact CA-SG 3.22Å; C1599-C1652 HydrophobicContact CB-CB 3.89Å; C1599-C1652 WeakPolarHBondContact CB-SG 3.08Å; C1599-C1652 WeakPolarHBondContact SG-CB 3.11Å; C1599-C1652 CovalentContact SG-SG 2.03Å; C1599-C1652 PolarHBondContact SG-SG 3.5Å |
| 1653 | V | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 134.6 | 173.8 | 62.3 | 0 | 0 | 0 | 0 | 109.3 | A1553 R1554 Y1556 L1564 K1572 F1574 T1575 | A1553-V1653 WeakPolarHBondContact CA-O 3.5Å; R1554-V1653 HydrophobicContact CB-CG1 4.09Å; R1554-V1653 PolarHBondContact N-O 3.27Å; R1554-V1653 PolarHBondContact O-N 3.13Å; Y1556-V1653 HydrophobicContact CD2-CG1 4.38Å; Y1556-V1653 HydrophobicContact CE2-CG1 3.84Å; L1564-V1653 HydrophobicContact CB-CB 4.35Å; L1564-V1653 HydrophobicContact CD2-CB 4.14Å; K1572-V1653 HydrophobicContact CD-CG2 4.09Å; K1572-V1653 HydrophobicContact CG-CG2 3.78Å; F1574-V1653 WeakPolarHBondContact O-CA 3.48Å; F1574-V1653 WeakPolarHBondContact O-CG2 3.45Å; T1575-V1653 HydrophobicContact CG2-CB 4.2Å; T1575-V1653 HydrophobicContact CG2-CG2 4.14Å |
| 1654 | V | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 128.8 | 171.3 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | F1552 A1553 L1573 F1574 P1596 C1599 | F1552-V1654 WeakPolarHBondContact O-CA 3.31Å; A1553-V1654 HydrophobicContact CB-CG2 4.46Å; L1573-V1654 HydrophobicContact CD1-CG1 4.09Å; L1573-V1654 PolarHBondContact N-O 3.03Å; F1574-V1654 HydrophobicContact CD1-CB 4.13Å; F1574-V1654 HydrophobicContact CD1-CG2 4.49Å; F1574-V1654 HydrophobicContact CD2-CG2 4.42Å; F1574-V1654 HydrophobicContact CE1-CB 3.77Å; F1574-V1654 HydrophobicContact CE1-CG1 4.09Å; F1574-V1654 HydrophobicContact CE1-CG2 3.81Å; F1574-V1654 HydrophobicContact CE2-CB 4.34Å; F1574-V1654 HydrophobicContact CE2-CG2 3.73Å; F1574-V1654 HydrophobicContact CZ-CB 3.89Å; F1574-V1654 HydrophobicContact CZ-CG1 4.46Å; F1574-V1654 HydrophobicContact CZ-CG2 3.39Å; F1574-V1654 PolarHBondContact O-N 3.19Å; P1596-V1654 HydrophobicContact CB-CG1 3.95Å; P1596-V1654 HydrophobicContact CB-CG2 4.18Å; P1596-V1654 HydrophobicContact CG-CG1 3.99Å; C1599-V1654 HydrophobicContact CB-CG2 3.58Å |
| 1655 | C | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 138.6 | -173 | -58.3 | 0 | 0 | 0 | 0 | 111 | L1551 F1552 C1566 N1571 | L1551-C1655 WeakPolarHBondContact CA-O 3.09Å; F1552-C1655 HydrophobicContact CD1-CB 4.11Å; F1552-C1655 WeakPolarHBondContact CD1-O 3.49Å; F1552-C1655 HydrophobicContact CE1-CB 3.45Å; F1552-C1655 VanDerWaalsContact CE1-CB 3.45Å; F1552-C1655 HydrophobicContact CE2-CB 4.04Å; F1552-C1655 HydrophobicContact CZ-CB 3.43Å; F1552-C1655 VanDerWaalsContact CZ-CB 3.43Å; F1552-C1655 PolarHBondContact N-O 3.3Å; F1552-C1655 VanDerWaalsContact N-O 3.1Å; F1552-C1655 PolarHBondContact O-N 2.96Å; C1566-C1655 VanDerWaalsContact CA-SG 3.51Å; C1566-C1655 HydrophobicContact CB-CB 3.91Å; C1566-C1655 WeakPolarHBondContact CB-SG 3.48Å; C1566-C1655 VanDerWaalsContact SG-CA 3.57Å; C1566-C1655 WeakPolarHBondContact SG-CB 3.01Å; C1566-C1655 CovalentContact SG-SG 2.04Å; C1566-C1655 PolarHBondContact SG-SG 3.4Å; N1571-C1655 CarbonylContact O-C 3.44Å; N1571-C1655 VanDerWaalsContact O-CA 3.25Å; N1571-C1655 WeakPolarHBondContact O-CA 3.46Å |
| 1656 | E | 95.8 | Very high | 94.7 | Very high | 45 Ų | 45 | 30.7 Ų | 30.7 | 21% | 0.21 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 115.9 | 170.9 | -174.4 | -169.7 | -147.5 | 0 | 0 | 109.7 | S1549 L1551 T1570 N1571 L1573 | S1549-E1656 VanDerWaalsContact CB-CG 3.5Å; S1549-E1656 WeakPolarHBondContact CB-OE1 3.4Å; S1549-E1656 PolarHBondContact OG-OE1 3.48Å; L1551-E1656 HydrophobicContact CD2-CB 3.96Å; L1551-E1656 HydrophobicContact CD2-CG 3.97Å; T1570-E1656 CarbonylContact C-O 3.59Å; T1570-E1656 WeakPolarHBondContact CA-O 3.22Å; T1570-E1656 VanDerWaalsContact CB-O 3.3Å; T1570-E1656 WeakPolarHBondContact CB-O 3.44Å; N1571-E1656 HydrophobicContact CB-CB 4.24Å; N1571-E1656 PolarHBondContact N-O 3.42Å; N1571-E1656 PolarHBondContact ND2-OE2 2.84Å; N1571-E1656 PolarHBondContact O-N 2.77Å; L1573-E1656 HydrophobicContact CD1-CB 4.08Å; L1573-E1656 HydrophobicContact CG-CB 4.36Å |
| 1657 | A | 93.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.008 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 141.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1549 I1550 F1552 T1570 A1659 V1661 M1773 | S1549-A1657 CarbonylContact C-O 3.6Å; S1549-A1657 VanDerWaalsContact CA-O 3.24Å; S1549-A1657 WeakPolarHBondContact CA-O 3.14Å; I1550-A1657 PolarHBondContact N-O 2.86Å; I1550-A1657 PolarHBondContact O-N 3.1Å; F1552-A1657 HydrophobicContact CD1-CB 4.1Å; F1552-A1657 HydrophobicContact CE1-CB 3.92Å; T1570-A1657 HydrophobicContact CG2-CB 3.94Å; A1657-A1659 VanDerWaalsContact CB-O 3.31Å; A1657-A1659 WeakPolarHBondContact CB-O 3.46Å; A1657-A1659 PolarHBondContact O-N 3.35Å; A1657-V1661 HydrophobicContact CB-CG2 3.72Å; A1657-M1773 HydrophobicContact CB-SD 3.76Å |
| 1658 | P | 91.8 | Very high | 94.5 | Very high | 65 Ų | 65 | 29.6 Ų | 29.6 | 42% | 0.422 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -74.9 | 2.3 | 174.2 | 32.6 | -38.6 | 0 | 0 | 0 | 114.4 | G1569 M1773 P1776 | G1569-P1658 WeakPolarHBondContact O-CD 3.18Å; P1658-M1773 HydrophobicContact CG-CE 4.38Å; P1658-M1773 HydrophobicContact CG-SD 4.2Å; P1658-P1776 HydrophobicContact CB-CG 4Å; P1658-P1776 HydrophobicContact CG-CG 3.97Å |
| 1659 | A | 91.8 | Very high | 93.9 | Very high | 15 Ų | 15 | 34.7 Ų | 34.7 | 12% | 0.124 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -162.7 | 171.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | A1657 M1773 K1774 P1776 | A1657-A1659 VanDerWaalsContact CB-O 3.31Å; A1657-A1659 WeakPolarHBondContact CB-O 3.46Å; A1657-A1659 PolarHBondContact O-N 3.35Å; A1659-M1773 HydrophobicContact CB-CG 4.35Å; A1659-K1774 HydrophobicContact CB-CB 4.21Å; A1659-K1774 WeakPolarHBondContact CB-O 3.49Å; A1659-P1776 HydrophobicContact CB-CG 4.38Å |
| 1660 | H | 91.3 | Very high | 93.4 | Very high | 103 Ų | 103 | 39.8 Ų | 39.8 | 48% | 0.477 | 21% | 0.207 | S | C | . | . | | | trans | -61.5 | 143.1 | 176.1 | -67.1 | -90.8 | 0 | 0 | 0 | 113.1 | F1662 M1773 K1774 | H1660-F1662 HydrophobicContact CB-CD2 4Å; H1660-F1662 HydrophobicContact CB-CE2 3.57Å; H1660-M1773 WeakPolarHBondContact O-CA 3.15Å; H1660-K1774 PolarHBondContact O-N 2.64Å |
| 1661 | V | 95.1 | Very high | 93.1 | Very high | 12 Ų | 12 | 41.9 Ų | 41.9 | 7% | 0.073 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 132.1 | 176.8 | -171.6 | 0 | 0 | 0 | 0 | 107.8 | F1552 A1657 L1681 P1704 V1771 C1772 M1773 | F1552-V1661 HydrophobicContact CD1-CG2 3.92Å; F1552-V1661 HydrophobicContact CE1-CG2 4.1Å; F1552-V1661 HydrophobicContact CG-CG2 4.46Å; A1657-V1661 HydrophobicContact CB-CG2 3.72Å; V1661-L1681 HydrophobicContact CG1-CD1 3.52Å; V1661-L1681 HydrophobicContact CG1-CG 4.49Å; V1661-L1681 HydrophobicContact CG2-CD1 4.11Å; V1661-P1704 HydrophobicContact CB-CG 4.27Å; V1661-P1704 HydrophobicContact CG1-CG 3.85Å; V1661-V1771 HydrophobicContact CG1-CG1 3.31Å; V1661-C1772 WeakPolarHBondContact CA-O 3.42Å; V1661-M1773 HydrophobicContact CG2-CB 4.11Å; V1661-M1773 HydrophobicContact CG2-CG 4.05Å; V1661-M1773 HydrophobicContact CG2-SD 4.39Å |
| 1662 | F | 95.8 | Very high | 92.6 | Very high | 76 Ų | 76 | 47.1 Ų | 47.1 | 33% | 0.333 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 147.8 | -177.8 | -76 | -85.2 | 0 | 0 | 0 | 111.4 | H1660 F1664 W1678 S1702 V1771 C1772 | H1660-F1662 HydrophobicContact CB-CD2 4Å; H1660-F1662 HydrophobicContact CB-CE2 3.57Å; F1662-F1664 HydrophobicContact CB-CE2 4.04Å; F1662-W1678 HydrophobicContact CB-CZ3 4.34Å; F1662-W1678 AromaticContact CD2-CH2 3.57Å; F1662-W1678 HydrophobicContact CD2-CH2 3.57Å; F1662-W1678 AromaticContact CD2-CZ3 3.74Å; F1662-W1678 HydrophobicContact CD2-CZ3 3.74Å; F1662-W1678 HydrophobicContact CE2-CH2 4.12Å; F1662-S1702 CarbonylContact C-O 3.49Å; F1662-S1702 VanDerWaalsContact CA-O 3.32Å; F1662-S1702 WeakPolarHBondContact CA-O 3.01Å; F1662-S1702 VanDerWaalsContact CD1-O 3.32Å; F1662-S1702 WeakPolarHBondContact CD1-O 3.38Å; F1662-V1771 WeakPolarHBondContact O-CA 3.39Å; F1662-C1772 PolarHBondContact N-O 2.76Å; F1662-C1772 PolarHBondContact O-N 3.12Å |
| 1663 | A | 97 | Very high | 92.4 | Very high | 7 Ų | 7 | 51.4 Ų | 51.4 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 144.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S1702 S1703 S1706 C1707 V1771 | A1663-S1702 PolarHBondContact N-O 3.27Å; A1663-S1703 WeakPolarHBondContact CB-O 3.48Å; A1663-S1706 WeakPolarHBondContact CB-OG 3.45Å; A1663-C1707 HydrophobicContact CB-CB 4.12Å; A1663-V1771 HydrophobicContact CB-CG2 4.32Å |
| 1664 | F | 96.3 | Very high | 92.3 | Very high | 82 Ų | 82 | 52.1 Ų | 52.1 | 36% | 0.36 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 122.7 | 172.1 | -69.4 | -95.1 | 0 | 0 | 0 | 108.7 | F1662 P1675 W1678 C1769 R1770 C1772 | F1662-F1664 HydrophobicContact CB-CE2 4.04Å; F1664-P1675 HydrophobicContact CE1-CG 4.02Å; F1664-P1675 HydrophobicContact CZ-CG 3.98Å; F1664-W1678 HydrophobicContact CE2-CE3 4.44Å; F1664-C1769 CarbonylContact O-C 3.48Å; F1664-C1769 WeakPolarHBondContact O-CA 3.44Å; F1664-R1770 PolarHBondContact N-O 2.86Å; F1664-R1770 PolarHBondContact O-N 2.93Å; F1664-C1772 HydrophobicContact CD2-CB 3.96Å; F1664-C1772 HydrophobicContact CE2-CB 3.85Å |
| 1665 | H | 95.8 | Very high | 92.1 | Very high | 44 Ų | 44 | 54.6 Ų | 54.6 | 20% | 0.204 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 139.1 | -178.6 | -60.6 | -78.4 | 0 | 0 | 0 | 111.1 | S1686 L1701 S1706 L1737 C1769 | H1665-S1686 WeakPolarHBondContact ND1-CB 3.37Å; H1665-S1686 PolarHBondContact ND1-OG 2.98Å; H1665-L1701 PolarHBondContact CD2-O 2.99Å; H1665-L1701 PolarHBondContact NE2-O 3.23Å; H1665-S1706 PolarHBondContact CE1-O 3.07Å; H1665-S1706 PolarHBondContact CE1-OG 3.08Å; H1665-S1706 PolarHBondContact NE2-OG 3.22Å; H1665-L1737 HydrophobicContact CB-CD1 3.91Å; H1665-C1769 WeakPolarHBondContact ND1-CB 3.47Å |
| 1666 | S | 93.7 | Very high | 91.6 | Very high | 32 Ų | 32 | 62.8 Ų | 62.8 | 22% | 0.224 | 34% | 0.336 | C | S | . | . | | | trans | -83.1 | -25.2 | -179.5 | 58 | 0 | 0 | 0 | 0 | 114.1 | G1668 T1670 K1768 | S1666-G1668 PolarHBondContact O-N 3.05Å; S1666-G1668 VanDerWaalsContact O-N 3.16Å; S1666-G1668 PolarHBondContact OG-N 3.37Å; S1666-G1668 PolarHBondContact OG-O 2.85Å; S1666-T1670 WeakPolarHBondContact CB-O 2.96Å; S1666-K1768 PolarHBondContact N-O 2.86Å; S1666-K1768 PolarHBondContact OG-N 3.34Å; S1666-K1768 PolarHBondContact OG-O 3.22Å; S1666-K1768 VanDerWaalsContact OG-O 3.06Å |
| 1667 | Q | 91.9 | Very high | 91.4 | Very high | 102 Ų | 102 | 65 Ų | 65 | 48% | 0.477 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 47.9 | 33.1 | -163.1 | -63.3 | -172.7 | -96.8 | 0 | 0 | 112.9 | L1737 L1740 S1767 | Q1667-L1737 HydrophobicContact CG-CD1 4.43Å; Q1667-L1740 PolarHBondContact O-N 3.45Å; Q1667-S1767 WeakPolarHBondContact CA-OG 3.47Å; Q1667-S1767 PolarHBondContact N-OG 2.83Å |
| 1668 | G | 87.1 | Confident | 91.4 | Very high | 10 Ų | 10 | 67.3 Ų | 67.3 | 10% | 0.103 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -168.4 | 167.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1666 T1670 | S1666-G1668 PolarHBondContact O-N 3.05Å; S1666-G1668 VanDerWaalsContact O-N 3.16Å; S1666-G1668 PolarHBondContact OG-N 3.37Å; S1666-G1668 PolarHBondContact OG-O 2.85Å; G1668-T1670 VanDerWaalsContact C-N 3.28Å; G1668-T1670 PolarHBondContact O-N 2.84Å |
| 1669 | E | 80.6 | Confident | 91.6 | Very high | 115 Ų | 115 | 66.9 Ų | 66.9 | 54% | 0.537 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -61.1 | -33.8 | -178.8 | -71.2 | 174.6 | 176.7 | 0 | 0 | 113.5 | N1764 K1768 | E1669-N1764 HydrophobicContact CG-CB 4.17Å; E1669-N1764 VanDerWaalsContact CG-O 3.23Å; E1669-N1764 WeakPolarHBondContact CG-O 3.23Å; E1669-K1768 WeakPolarHBondContact O-CG 3.26Å |
| 1670 | T | 83.2 | Confident | 91.7 | Very high | 107 Ų | 107 | 70.3 Ų | 70.3 | 66% | 0.656 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -95.9 | 126.7 | -176.2 | 51.1 | 0 | 0 | 0 | 0 | 111.9 | S1666 G1668 | S1666-T1670 WeakPolarHBondContact CB-O 2.96Å; G1668-T1670 VanDerWaalsContact C-N 3.28Å; G1668-T1670 PolarHBondContact O-N 2.84Å |
| 1671 | L | 88.3 | Confident | 91.9 | Very high | 44 Ų | 44 | 66.4 Ų | 66.4 | 23% | 0.23 | 35% | 0.353 | C | S | . | . | | | trans | -92.7 | 115.3 | -176.2 | -173.9 | 58.9 | 0 | 0 | 0 | 111.5 | T1683 K1768 C1769 R1770 | L1671-T1683 HydrophobicContact CD2-CG2 3.53Å; L1671-K1768 HydrophobicContact CB-CB 3.97Å; L1671-K1768 HydrophobicContact CD1-CB 3.93Å; L1671-K1768 HydrophobicContact CD2-CB 4.36Å; L1671-K1768 HydrophobicContact CG-CB 4.3Å; L1671-C1769 WeakPolarHBondContact CD2-O 3.43Å; L1671-R1770 HydrophobicContact CD1-CB 4.08Å; L1671-R1770 HydrophobicContact CD2-CB 4.05Å; L1671-R1770 HydrophobicContact CG-CB 4.26Å; L1671-R1770 PolarHBondContact O-NH2 3.47Å |
| 1672 | Q | 87.1 | Confident | 91.9 | Very high | 129 Ų | 129 | 66.6 Ų | 66.6 | 60% | 0.603 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 150.8 | 175 | -63.2 | -59.3 | -36.7 | 0 | 0 | 111.7 | R1770 | Q1672-R1770 VanDerWaalsContact O-CZ 3.24Å; Q1672-R1770 PolarHBondContact O-NE 3.23Å; Q1672-R1770 PolarHBondContact O-NH2 2.69Å; Q1672-R1770 VanDerWaalsContact O-NH2 3.11Å |
| 1673 | P | 91.9 | Very high | 91.9 | Very high | 91 Ų | 91 | 65.9 Ų | 65.9 | 59% | 0.591 | 35% | 0.354 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 158.3 | 172.6 | 30 | -35.5 | 0 | 0 | 0 | 111.5 | | |
| 1674 | C | 95.3 | Very high | 91.8 | Very high | 15 Ų | 15 | 66 Ų | 66 | 10% | 0.101 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 148.5 | 168.4 | -68.3 | 0 | 0 | 0 | 0 | 110.9 | W1678 E1680 R1770 C1772 | C1674-W1678 HydrophobicContact CB-CB 4.09Å; C1674-E1680 VanDerWaalsContact SG-CA 3.56Å; C1674-R1770 WeakPolarHBondContact SG-CD 3.27Å; C1674-C1772 VanDerWaalsContact CA-SG 3.52Å; C1674-C1772 HydrophobicContact CB-CB 3.85Å; C1674-C1772 WeakPolarHBondContact CB-SG 3.3Å; C1674-C1772 WeakPolarHBondContact SG-CB 3.27Å; C1674-C1772 CovalentContact SG-SG 2.04Å; C1674-C1772 PolarHBondContact SG-SG 3.44Å |
| 1675 | P | 93.1 | Very high | 91.7 | Very high | 51 Ų | 51 | 62.3 Ų | 62.3 | 33% | 0.331 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 149.5 | 177.4 | -19.6 | 30.6 | 0 | 0 | 0 | 111.5 | F1664 T1677 W1678 | F1664-P1675 HydrophobicContact CE1-CG 4.02Å; F1664-P1675 HydrophobicContact CZ-CG 3.98Å; P1675-T1677 PolarHBondContact O-N 3.3Å; P1675-W1678 HydrophobicContact CB-CG 4.4Å; P1675-W1678 HydrophobicContact CG-CG 4.46Å; P1675-W1678 WeakPolarHBondContact O-CB 3.35Å; P1675-W1678 PolarHBondContact O-N 3.3Å |
| 1676 | N | 87.4 | Confident | 91.6 | Very high | 173 Ų | 173 | 60.2 Ų | 60.2 | 93% | 0.925 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -6.5 | -166.4 | -63.6 | -37.2 | 0 | 0 | 0 | 117.6 | | |
| 1677 | T | 91 | Very high | 91.6 | Very high | 90 Ų | 90 | 58.9 Ų | 58.9 | 55% | 0.552 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.7 | 16.1 | 176.6 | 49.2 | 0 | 0 | 0 | 0 | 113.1 | P1675 I1775 | P1675-T1677 PolarHBondContact O-N 3.3Å; T1677-I1775 WeakPolarHBondContact O-CB 3.42Å; T1677-I1775 PolarHBondContact O-N 2.74Å |
| 1678 | W | 94.7 | Very high | 91.7 | Very high | 51 Ų | 51 | 56.3 Ų | 56.3 | 19% | 0.193 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 144.3 | -174.1 | -60.2 | 65.8 | 0 | 0 | 0 | 110.4 | F1662 F1664 C1674 P1675 C1772 M1773 K1774 | F1662-W1678 HydrophobicContact CB-CZ3 4.34Å; F1662-W1678 AromaticContact CD2-CH2 3.57Å; F1662-W1678 HydrophobicContact CD2-CH2 3.57Å; F1662-W1678 AromaticContact CD2-CZ3 3.74Å; F1662-W1678 HydrophobicContact CD2-CZ3 3.74Å; F1662-W1678 HydrophobicContact CE2-CH2 4.12Å; F1664-W1678 HydrophobicContact CE2-CE3 4.44Å; C1674-W1678 HydrophobicContact CB-CB 4.09Å; P1675-W1678 HydrophobicContact CB-CG 4.4Å; P1675-W1678 HydrophobicContact CG-CG 4.46Å; P1675-W1678 WeakPolarHBondContact O-CB 3.35Å; P1675-W1678 PolarHBondContact O-N 3.3Å; W1678-C1772 HydrophobicContact CB-CB 4.14Å; W1678-C1772 HydrophobicContact CE3-CB 3.97Å; W1678-M1773 CarbonylContact C-O 3.55Å; W1678-M1773 VanDerWaalsContact CA-O 3.25Å; W1678-M1773 WeakPolarHBondContact CA-O 3.18Å; W1678-K1774 HydrophobicContact CD2-CB 3.88Å; W1678-K1774 HydrophobicContact CD2-CG 4.35Å; W1678-K1774 HydrophobicContact CE3-CB 3.84Å; W1678-K1774 HydrophobicContact CH2-CB 3.86Å; W1678-K1774 HydrophobicContact CZ2-CB 3.93Å; W1678-K1774 HydrophobicContact CZ2-CD 4.13Å; W1678-K1774 HydrophobicContact CZ2-CG 4.14Å; W1678-K1774 HydrophobicContact CZ3-CB 3.82Å |
| 1679 | T | 94.4 | Very high | 91.8 | Very high | 55 Ų | 55 | 58.4 Ų | 58.4 | 34% | 0.337 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 148 | 168.3 | -172.6 | 0 | 0 | 0 | 0 | 109.7 | L1681 C1772 M1773 | T1679-L1681 HydrophobicContact CG2-CD2 4.25Å; T1679-C1772 CarbonylContact O-C 3.51Å; T1679-C1772 VanDerWaalsContact O-CA 3.24Å; T1679-C1772 WeakPolarHBondContact O-CA 3.09Å; T1679-M1773 HydrophobicContact CG2-CB 4.03Å; T1679-M1773 HydrophobicContact CG2-CE 3.82Å; T1679-M1773 PolarHBondContact N-O 2.64Å; T1679-M1773 PolarHBondContact O-N 2.99Å |
| 1680 | E | 95.6 | Very high | 92.1 | Very high | 87 Ų | 87 | 53.2 Ų | 53.2 | 41% | 0.407 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 143.9 | 169.5 | -176.2 | 172.2 | 149 | 0 | 0 | 110.7 | C1674 T1683 R1770 | C1674-E1680 VanDerWaalsContact SG-CA 3.56Å; E1680-T1683 WeakPolarHBondContact OE1-CG2 3.49Å; E1680-R1770 HydrophobicContact CG-CG 3.91Å; E1680-R1770 IonicContact OE1-NH1 3.2Å; E1680-R1770 WeakPolarHBondContact OE2-CD 3.42Å; E1680-R1770 IonicContact OE2-CZ 3.97Å; E1680-R1770 IonicContact OE2-NE 3.22Å; E1680-R1770 IonicContact OE2-NH1 3.8Å; E1680-R1770 PolarHBondContact OE2-NH1 2.72Å |
| 1681 | L | 95.5 | Very high | 92.3 | Very high | 21 Ų | 21 | 49.4 Ų | 49.4 | 11% | 0.11 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -46.7 | 170.5 | -57.2 | -165.7 | 0 | 0 | 0 | 111.7 | F1552 P1567 V1661 T1679 V1771 M1773 | F1552-L1681 HydrophobicContact CE2-CD1 4.36Å; F1552-L1681 HydrophobicContact CZ-CD1 3.97Å; P1567-L1681 HydrophobicContact CB-CB 3.9Å; P1567-L1681 HydrophobicContact CB-CD1 4.11Å; P1567-L1681 HydrophobicContact CB-CD2 3.83Å; P1567-L1681 HydrophobicContact CB-CG 4.17Å; P1567-L1681 HydrophobicContact CG-CB 4.13Å; P1567-L1681 HydrophobicContact CG-CD1 4.2Å; V1661-L1681 HydrophobicContact CG1-CD1 3.52Å; V1661-L1681 HydrophobicContact CG1-CG 4.49Å; V1661-L1681 HydrophobicContact CG2-CD1 4.11Å; T1679-L1681 HydrophobicContact CG2-CD2 4.25Å; L1681-V1771 HydrophobicContact CB-CG1 4.41Å; L1681-V1771 HydrophobicContact CD1-CG1 4.35Å; L1681-V1771 PolarHBondContact N-O 3.12Å; L1681-M1773 HydrophobicContact CD1-CB 4.09Å; L1681-M1773 HydrophobicContact CD2-CB 3.79Å; L1681-M1773 HydrophobicContact CD2-CE 4.22Å; L1681-M1773 HydrophobicContact CG-CB 3.99Å |
| 1682 | W | 95.2 | Very high | 91.8 | Very high | 16 Ų | 16 | 47.7 Ų | 47.7 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 174 | 172 | 68.5 | 93.8 | 0 | 0 | 0 | 112.2 | F1552 R1554 P1567 P1704 C1707 E1709 V1771 | F1552-W1682 AromaticContact CD2-CH2 3.97Å; F1552-W1682 HydrophobicContact CD2-CH2 3.97Å; F1552-W1682 HydrophobicContact CD2-CZ3 4.23Å; F1552-W1682 AromaticContact CE2-CH2 3.83Å; F1552-W1682 HydrophobicContact CE2-CH2 3.83Å; F1552-W1682 AromaticContact CE2-CZ3 3.63Å; F1552-W1682 HydrophobicContact CE2-CZ3 3.63Å; F1552-W1682 HydrophobicContact CZ-CZ3 4.5Å; R1554-W1682 HydrophobicContact CB-CH2 4.18Å; R1554-W1682 HydrophobicContact CB-CZ3 4.39Å; R1554-W1682 HydrophobicContact CG-CE3 4.37Å; R1554-W1682 HydrophobicContact CG-CH2 4.09Å; R1554-W1682 HydrophobicContact CG-CZ2 4.29Å; R1554-W1682 HydrophobicContact CG-CZ3 4.16Å; P1567-W1682 HydrophobicContact CG-CE3 4.11Å; P1567-W1682 HydrophobicContact CG-CZ3 4.04Å; W1682-P1704 HydrophobicContact CH2-CB 3.77Å; W1682-P1704 HydrophobicContact CZ2-CB 3.82Å; W1682-C1707 PolarHBondContact NE1-O 2.83Å; W1682-E1709 HydrophobicContact CB-CG 4.42Å; W1682-E1709 VanDerWaalsContact CD1-CG 3.44Å; W1682-E1709 HydrophobicContact CG-CG 4.06Å; W1682-V1771 HydrophobicContact CD2-CB 3.79Å; W1682-V1771 HydrophobicContact CD2-CG1 4.35Å; W1682-V1771 HydrophobicContact CD2-CG2 3.98Å; W1682-V1771 VanDerWaalsContact CE2-CG2 3.41Å; W1682-V1771 HydrophobicContact CE3-CB 4.04Å; W1682-V1771 HydrophobicContact CE3-CG1 4.15Å; W1682-V1771 HydrophobicContact CG-CB 4.32Å; W1682-V1771 HydrophobicContact CG-CG2 4.45Å; W1682-V1771 HydrophobicContact CH2-CB 4.23Å; W1682-V1771 HydrophobicContact CH2-CG1 3.83Å; W1682-V1771 HydrophobicContact CH2-CG2 4.24Å; W1682-V1771 HydrophobicContact CZ2-CB 4.01Å; W1682-V1771 HydrophobicContact CZ2-CG1 4.05Å; W1682-V1771 HydrophobicContact CZ2-CG2 3.59Å; W1682-V1771 HydrophobicContact CZ3-CB 4.22Å; W1682-V1771 HydrophobicContact CZ3-CG1 3.85Å; W1682-V1771 PolarHBondContact O-N 2.66Å |
| 1683 | T | 95.9 | Very high | 91.4 | Very high | 61 Ų | 61 | 43.7 Ų | 43.7 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 160.8 | 174.8 | 56 | 0 | 0 | 0 | 0 | 110.3 | L1671 E1680 C1769 R1770 | L1671-T1683 HydrophobicContact CD2-CG2 3.53Å; E1680-T1683 WeakPolarHBondContact OE1-CG2 3.49Å; T1683-C1769 CarbonylContact C-O 3.56Å; T1683-C1769 WeakPolarHBondContact CA-O 3.4Å; T1683-R1770 HydrophobicContact CG2-CG 4.02Å |
| 1684 | G | 93.8 | Very high | 90.6 | Very high | 10 Ų | 10 | 44 Ų | 44 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.6 | -152.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | M1708 K1768 C1769 | G1684-M1708 CarbonylContact C-O 3.48Å; G1684-M1708 VanDerWaalsContact CA-O 3.24Å; G1684-M1708 WeakPolarHBondContact CA-O 3.29Å; G1684-K1768 CarbonylContact O-C 3.47Å; G1684-K1768 WeakPolarHBondContact O-CA 3.16Å; G1684-C1769 PolarHBondContact N-O 2.89Å; G1684-C1769 PolarHBondContact O-N 3.19Å; G1684-C1769 PolarHBondContact O-SG 3.37Å |
| 1685 | V | 93.3 | Very high | 89.9 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.024 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 148.9 | 174 | -71.7 | 0 | 0 | 0 | 0 | 112.6 | L1687 M1708 F1711 Y1736 L1763 V1766 C1769 | V1685-L1687 PolarHBondContact O-N 3.13Å; V1685-M1708 HydrophobicContact CG2-CB 4.27Å; V1685-M1708 WeakPolarHBondContact CG2-O 3.35Å; V1685-M1708 PolarHBondContact N-O 2.97Å; V1685-M1708 PolarHBondContact O-N 3.12Å; V1685-F1711 HydrophobicContact CG1-CB 4.22Å; V1685-F1711 HydrophobicContact CG2-CB 4.01Å; V1685-Y1736 HydrophobicContact CB-CD1 4.24Å; V1685-Y1736 HydrophobicContact CB-CE1 4.3Å; V1685-Y1736 HydrophobicContact CG2-CD1 4.09Å; V1685-Y1736 HydrophobicContact CG2-CE1 3.64Å; V1685-L1763 HydrophobicContact CG1-CD2 3.73Å; V1685-V1766 HydrophobicContact CB-CG1 3.75Å; V1685-V1766 HydrophobicContact CG1-CG1 3.71Å; V1685-C1769 PolarHBondContact N-SG 3.1Å; V1685-C1769 PolarHBondContact O-SG 2.97Å; V1685-C1769 VanDerWaalsContact O-SG 3.36Å |
| 1686 | S | 95.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 87.6 | -169.6 | -54.6 | 0 | 0 | 0 | 0 | 112.5 | H1665 S1706 Y1736 L1737 S1767 K1768 | H1665-S1686 WeakPolarHBondContact ND1-CB 3.37Å; H1665-S1686 PolarHBondContact ND1-OG 2.98Å; S1686-S1706 CarbonylContact C-O 3.51Å; S1686-S1706 WeakPolarHBondContact CA-O 3.04Å; S1686-Y1736 CarbonylContact O-C 3.52Å; S1686-Y1736 WeakPolarHBondContact O-CA 3.27Å; S1686-Y1736 WeakPolarHBondContact O-CB 3.12Å; S1686-L1737 PolarHBondContact O-N 2.9Å; S1686-S1767 VanDerWaalsContact CB-O 3.28Å; S1686-S1767 WeakPolarHBondContact CB-O 3.21Å; S1686-S1767 PolarHBondContact N-O 2.77Å; S1686-S1767 VanDerWaalsContact OG-C 3.29Å; S1686-S1767 WeakPolarHBondContact OG-CB 3.49Å; S1686-S1767 PolarHBondContact OG-O 3.05Å; S1686-S1767 PolarHBondContact OG-OG 3.22Å; S1686-K1768 PolarHBondContact OG-O 3.35Å; S1686-K1768 VanDerWaalsContact OG-O 3.13Å |
| 1687 | L | 93.5 | Very high | 89.3 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 134.3 | 172.6 | 175.9 | 62.4 | 0 | 0 | 0 | 110.5 | L1593 V1685 Q1699 S1706 M1708 V1734 Y1736 | L1593-L1687 HydrophobicContact CD1-CD2 3.99Å; V1685-L1687 PolarHBondContact O-N 3.13Å; L1687-Q1699 HydrophobicContact CD2-CG 3.96Å; L1687-Q1699 HydrophobicContact CG-CG 4.1Å; L1687-S1706 PolarHBondContact N-O 2.96Å; L1687-S1706 WeakPolarHBondContact O-CA 3.5Å; L1687-S1706 WeakPolarHBondContact O-CB 3.37Å; L1687-M1708 HydrophobicContact CB-CG 3.98Å; L1687-M1708 HydrophobicContact CD2-CG 3.7Å; L1687-M1708 HydrophobicContact CG-CG 4.46Å; L1687-V1734 HydrophobicContact CD1-CG1 3.39Å; L1687-Y1736 HydrophobicContact CB-CD1 4.36Å; L1687-Y1736 HydrophobicContact CB-CE1 4.23Å; L1687-Y1736 HydrophobicContact CD1-CE1 4.41Å |
| 1688 | I | 93 | Very high | 89.1 | Confident | 48 Ų | 48 | 35.4 Ų | 35.4 | 25% | 0.246 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | -56.2 | 173.2 | -45.4 | 178.1 | 0 | 0 | 0 | 110.8 | G1698 Q1699 L1701 Y1735 L1737 | I1688-G1698 CarbonylContact O-C 3.56Å; I1688-G1698 WeakPolarHBondContact O-CA 3.22Å; I1688-Q1699 PolarHBondContact O-N 3.45Å; I1688-L1701 HydrophobicContact CG1-CD2 4.38Å; I1688-Y1735 PolarHBondContact N-O 3.5Å; I1688-L1737 HydrophobicContact CD1-CB 4.33Å; I1688-L1737 HydrophobicContact CD1-CD2 3.78Å; I1688-L1737 HydrophobicContact CD1-CG 3.74Å; I1688-L1737 HydrophobicContact CG1-CB 4.49Å; I1688-L1737 HydrophobicContact CG1-CD2 4.45Å; I1688-L1737 HydrophobicContact CG1-CG 3.89Å |
| 1689 | L | 89.7 | Confident | 88.9 | Confident | 54 Ų | 54 | 33.6 Ų | 33.6 | 28% | 0.283 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 164.7 | -175.7 | 73.6 | 127.6 | 0 | 0 | 0 | 112.3 | T1691 G1697 Y1735 | L1689-T1691 HydrophobicContact CD1-CG2 3.81Å; L1689-G1697 WeakPolarHBondContact CA-O 3.44Å; L1689-G1697 WeakPolarHBondContact CB-O 3.4Å; L1689-Y1735 HydrophobicContact CD1-CD2 3.66Å; L1689-Y1735 HydrophobicContact CD1-CE2 3.96Å; L1689-Y1735 HydrophobicContact CD1-CG 4.28Å; L1689-Y1735 HydrophobicContact CD2-CD2 4.18Å; L1689-Y1735 HydrophobicContact CD2-CG 3.98Å; L1689-Y1735 HydrophobicContact CG-CD2 3.62Å; L1689-Y1735 HydrophobicContact CG-CE2 4.42Å; L1689-Y1735 HydrophobicContact CG-CG 3.91Å; L1689-Y1735 PolarHBondContact N-O 3.03Å; L1689-Y1735 PolarHBondContact O-N 2.98Å |
| 1690 | H | 87.9 | Confident | 88.9 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 3% | 0.032 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 154.1 | 168.8 | 59.3 | -81.4 | 0 | 0 | 0 | 109.3 | V1580 M1581 G1696 G1697 V1716 K1733 V1734 | V1580-H1690 WeakPolarHBondContact CG1-CE1 3.12Å; V1580-H1690 WeakPolarHBondContact CG1-NE2 3.23Å; M1581-H1690 WeakPolarHBondContact CE-NE2 3.5Å; H1690-G1696 CarbonylContact O-C 3.5Å; H1690-G1696 WeakPolarHBondContact O-CA 3.36Å; H1690-G1697 VanDerWaalsContact CE1-CA 3.45Å; H1690-G1697 WeakPolarHBondContact CE1-CA 3.47Å; H1690-G1697 PolarHBondContact CE1-O 3.27Å; H1690-G1697 PolarHBondContact N-O 2.76Å; H1690-G1697 PolarHBondContact ND1-O 3.05Å; H1690-G1697 VanDerWaalsContact ND1-O 3.07Å; H1690-G1697 PolarHBondContact O-N 3.02Å; H1690-V1716 HydrophobicContact CB-CG2 4.15Å; H1690-K1733 CarbonylContact C-O 3.19Å; H1690-K1733 WeakPolarHBondContact CA-O 3.46Å; H1690-V1734 HydrophobicContact CB-CG2 3.75Å |
| 1691 | T | 86.4 | Confident | 89 | Confident | 27 Ų | 27 | 36.5 Ų | 36.5 | 17% | 0.166 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 157 | 169.8 | 67 | 0 | 0 | 0 | 0 | 110.5 | L1689 H1695 A1732 K1733 Y1735 | L1689-T1691 HydrophobicContact CD1-CG2 3.81Å; T1691-H1695 CarbonylContact C-O 3.59Å; T1691-H1695 WeakPolarHBondContact CA-O 3.44Å; T1691-H1695 WeakPolarHBondContact CB-O 3.35Å; T1691-A1732 CarbonylContact O-C 3.55Å; T1691-A1732 WeakPolarHBondContact O-CA 3.45Å; T1691-K1733 PolarHBondContact N-O 2.91Å; T1691-K1733 PolarHBondContact O-N 2.98Å; T1691-Y1735 HydrophobicContact CG2-CE2 4.13Å |
| 1692 | S | 78.8 | Confident | 89 | Confident | 8 Ų | 8 | 37.8 Ų | 37.8 | 6% | 0.056 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 128.8 | 153.4 | -137.9 | 0 | 0 | 0 | 0 | 107 | A1694 H1695 D1731 | S1692-A1694 PolarHBondContact O-N 3.48Å; S1692-H1695 PolarHBondContact N-O 3.17Å; S1692-H1695 PolarHBondContact O-N 2.92Å; S1692-H1695 VanDerWaalsContact O-O 3.07Å; S1692-D1731 VanDerWaalsContact C-OD2 3.28Å; S1692-D1731 VanDerWaalsContact CA-OD2 3.31Å; S1692-D1731 WeakPolarHBondContact CA-OD2 3.26Å; S1692-D1731 WeakPolarHBondContact CB-OD2 3.38Å; S1692-D1731 PolarHBondContact OG-OD2 2.88Å |
| 1693 | G | 76.9 | Confident | 89.1 | Confident | 45 Ų | 45 | 37.7 Ų | 37.7 | 46% | 0.464 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | -128 | -167.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | D1731 | G1693-D1731 PolarHBondContact N-OD2 2.77Š|
| 1694 | A | 76.6 | Confident | 89.1 | Confident | 96 Ų | 96 | 35.3 Ų | 35.3 | 79% | 0.793 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -4.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1692 | S1692-A1694 PolarHBondContact O-N 3.48Š|
| 1695 | H | 79.6 | Confident | 89.1 | Confident | 62 Ų | 62 | 35.1 Ų | 35.1 | 29% | 0.287 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 144.4 | -171.2 | -47.8 | -56.6 | 0 | 0 | 0 | 110.9 | V1585 L1588 T1691 S1692 | V1585-H1695 WeakPolarHBondContact CG1-NE2 3.15Å; L1588-H1695 HydrophobicContact CD1-CB 3.52Å; T1691-H1695 CarbonylContact C-O 3.59Å; T1691-H1695 WeakPolarHBondContact CA-O 3.44Å; T1691-H1695 WeakPolarHBondContact CB-O 3.35Å; S1692-H1695 PolarHBondContact N-O 3.17Å; S1692-H1695 PolarHBondContact O-N 2.92Å; S1692-H1695 VanDerWaalsContact O-O 3.07Å |
| 1696 | G | 82.2 | Confident | 89.3 | Confident | 40 Ų | 40 | 34.9 Ų | 34.9 | 41% | 0.412 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.9 | 157.9 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | M1581 H1690 | M1581-G1696 WeakPolarHBondContact CE-O 3.42Å; H1690-G1696 CarbonylContact O-C 3.5Å; H1690-G1696 WeakPolarHBondContact O-CA 3.36Å |
| 1697 | G | 85.2 | Confident | 89.3 | Confident | 2 Ų | 2 | 35 Ų | 35 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 131.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1581 S1590 L1689 H1690 | M1581-G1697 VanDerWaalsContact CE-N 3.33Å; S1590-G1697 WeakPolarHBondContact OG-CA 3.34Å; L1689-G1697 WeakPolarHBondContact CA-O 3.44Å; L1689-G1697 WeakPolarHBondContact CB-O 3.4Å; H1690-G1697 VanDerWaalsContact CE1-CA 3.45Å; H1690-G1697 WeakPolarHBondContact CE1-CA 3.47Å; H1690-G1697 PolarHBondContact CE1-O 3.27Å; H1690-G1697 PolarHBondContact N-O 2.76Å; H1690-G1697 PolarHBondContact ND1-O 3.05Å; H1690-G1697 VanDerWaalsContact ND1-O 3.07Å; H1690-G1697 PolarHBondContact O-N 3.02Å |
| 1698 | G | 86.7 | Confident | 89.3 | Confident | 45 Ų | 45 | 35.2 Ų | 35.2 | 46% | 0.464 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 157.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | I1688 | I1688-G1698 CarbonylContact O-C 3.56Å; I1688-G1698 WeakPolarHBondContact O-CA 3.22Å |
| 1699 | Q | 92.4 | Very high | 89.2 | Confident | 13 Ų | 13 | 34.7 Ų | 34.7 | 6% | 0.061 | 23% | 0.23 | C | C | . | . | | | trans | -111.9 | 137.1 | 169.2 | -58.8 | -59.2 | -62.5 | 0 | 0 | 108.6 | M1591 L1593 L1687 I1688 L1701 | M1591-Q1699 PolarHBondContact O-NE2 3.35Å; L1593-Q1699 VanDerWaalsContact CB-OE1 3.26Å; L1687-Q1699 HydrophobicContact CD2-CG 3.96Å; L1687-Q1699 HydrophobicContact CG-CG 4.1Å; I1688-Q1699 PolarHBondContact O-N 3.45Å; Q1699-L1701 PolarHBondContact O-N 2.78Å |
| 1700 | Q | 94.1 | Very high | 89.2 | Confident | 129 Ų | 129 | 34.2 Ų | 34.2 | 60% | 0.603 | 23% | 0.226 | S | C | * | . | | | trans | -69.7 | 126 | 174 | -61.2 | -172.4 | 21 | 0 | 0 | 109.1 | D1592 S1702 S1703 S1706 | D1592-Q1700 PolarHBondContact OD2-N 3.14Å; D1592-Q1700 VanDerWaalsContact OD2-N 3.09Å; Q1700-S1702 PolarHBondContact O-N 3.5Å; Q1700-S1703 VanDerWaalsContact O-CB 3.29Å; Q1700-S1703 WeakPolarHBondContact O-CB 2.99Å; Q1700-S1703 PolarHBondContact O-N 2.83Å; Q1700-S1706 WeakPolarHBondContact O-CB 3.06Å |
| 1701 | L | 96.1 | Very high | 89.3 | Confident | 74 Ų | 74 | 35.7 Ų | 35.7 | 39% | 0.387 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -7.4 | -179.8 | -67.2 | 177.3 | 0 | 0 | 0 | 114.5 | H1665 I1688 Q1699 L1737 | H1665-L1701 PolarHBondContact CD2-O 2.99Å; H1665-L1701 PolarHBondContact NE2-O 3.23Å; I1688-L1701 HydrophobicContact CG1-CD2 4.38Å; Q1699-L1701 PolarHBondContact O-N 2.78Å; L1701-L1737 HydrophobicContact CD1-CD1 4.18Å; L1701-L1737 HydrophobicContact CD2-CD1 3.89Å; L1701-L1737 HydrophobicContact CD2-CG 4.38Å |
| 1702 | S | 95.9 | Very high | 89.3 | Confident | 48 Ų | 48 | 37 Ų | 37 | 34% | 0.336 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -24.7 | 169.9 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | F1662 A1663 Q1700 | F1662-S1702 CarbonylContact C-O 3.49Å; F1662-S1702 VanDerWaalsContact CA-O 3.32Å; F1662-S1702 WeakPolarHBondContact CA-O 3.01Å; F1662-S1702 VanDerWaalsContact CD1-O 3.32Å; F1662-S1702 WeakPolarHBondContact CD1-O 3.38Å; A1663-S1702 PolarHBondContact N-O 3.27Å; Q1700-S1702 PolarHBondContact O-N 3.5Å |
| 1703 | S | 96.7 | Very high | 89.5 | Confident | 14 Ų | 14 | 42.4 Ų | 42.4 | 10% | 0.098 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -73.2 | 146.4 | -177.7 | 178.9 | 0 | 0 | 0 | 0 | 111.7 | D1592 G1594 A1663 Q1700 G1705 S1706 | D1592-S1703 VanDerWaalsContact OD1-CB 3.29Å; D1592-S1703 WeakPolarHBondContact OD1-CB 3.5Å; D1592-S1703 PolarHBondContact OD1-OG 3.44Å; D1592-S1703 VanDerWaalsContact OD2-CB 3.3Å; D1592-S1703 WeakPolarHBondContact OD2-CB 3.37Å; D1592-S1703 PolarHBondContact OD2-OG 3.17Å; G1594-S1703 WeakPolarHBondContact CA-OG 3.48Å; A1663-S1703 WeakPolarHBondContact CB-O 3.48Å; Q1700-S1703 VanDerWaalsContact O-CB 3.29Å; Q1700-S1703 WeakPolarHBondContact O-CB 2.99Å; Q1700-S1703 PolarHBondContact O-N 2.83Å; S1703-G1705 PolarHBondContact O-N 2.86Å; S1703-G1705 PolarHBondContact OG-N 3.45Å; S1703-S1706 PolarHBondContact O-N 3.45Å; S1703-S1706 PolarHBondContact O-OG 2.93Å |
| 1704 | P | 96.6 | Very high | 89.7 | Confident | 11 Ų | 11 | 41.7 Ų | 41.7 | 7% | 0.071 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -51.6 | -25.6 | 167.7 | -26.3 | 35.7 | 0 | 0 | 0 | 114.4 | F1552 V1661 W1682 S1706 C1707 V1771 | F1552-P1704 HydrophobicContact CB-CG 4.43Å; V1661-P1704 HydrophobicContact CB-CG 4.27Å; V1661-P1704 HydrophobicContact CG1-CG 3.85Å; W1682-P1704 HydrophobicContact CH2-CB 3.77Å; W1682-P1704 HydrophobicContact CZ2-CB 3.82Å; P1704-S1706 VanDerWaalsContact C-N 3.3Å; P1704-S1706 PolarHBondContact O-N 3.01Å; P1704-C1707 PolarHBondContact O-N 3.33Å; P1704-V1771 HydrophobicContact CB-CG1 4.1Å; P1704-V1771 HydrophobicContact CB-CG2 4.32Å; P1704-V1771 HydrophobicContact CG-CG1 4.22Å |
| 1705 | G | 95.1 | Very high | 90.2 | Very high | 6 Ų | 6 | 37.2 Ų | 37.2 | 6% | 0.062 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -65.8 | -24.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1593 S1703 C1707 | L1593-G1705 VanDerWaalsContact C-CA 3.49Å; S1703-G1705 PolarHBondContact O-N 2.86Å; S1703-G1705 PolarHBondContact OG-N 3.45Å; G1705-C1707 PolarHBondContact O-N 3.44Å |
| 1706 | S | 96.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -73.8 | -7.2 | 172.3 | 68.5 | 0 | 0 | 0 | 0 | 113.1 | A1663 H1665 S1686 L1687 Q1700 S1703 P1704 | A1663-S1706 WeakPolarHBondContact CB-OG 3.45Å; H1665-S1706 PolarHBondContact CE1-O 3.07Å; H1665-S1706 PolarHBondContact CE1-OG 3.08Å; H1665-S1706 PolarHBondContact NE2-OG 3.22Å; S1686-S1706 CarbonylContact C-O 3.51Å; S1686-S1706 WeakPolarHBondContact CA-O 3.04Å; L1687-S1706 PolarHBondContact N-O 2.96Å; L1687-S1706 WeakPolarHBondContact O-CA 3.5Å; L1687-S1706 WeakPolarHBondContact O-CB 3.37Å; Q1700-S1706 WeakPolarHBondContact O-CB 3.06Å; S1703-S1706 PolarHBondContact O-N 3.45Å; S1703-S1706 PolarHBondContact O-OG 2.93Å; P1704-S1706 VanDerWaalsContact C-N 3.3Å; P1704-S1706 PolarHBondContact O-N 3.01Å |
| 1707 | C | 96.4 | Very high | 91.1 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.02 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 76 | -174.2 | -166.5 | 0 | 0 | 0 | 0 | 112.6 | A1663 W1682 P1704 G1705 C1769 V1771 | A1663-C1707 HydrophobicContact CB-CB 4.12Å; W1682-C1707 PolarHBondContact NE1-O 2.83Å; P1704-C1707 PolarHBondContact O-N 3.33Å; G1705-C1707 PolarHBondContact O-N 3.44Å; C1707-C1769 WeakPolarHBondContact CA-SG 3.36Å; C1707-C1769 HydrophobicContact CB-CB 3.83Å; C1707-C1769 WeakPolarHBondContact CB-SG 3.08Å; C1707-C1769 WeakPolarHBondContact SG-CB 3.26Å; C1707-C1769 CovalentContact SG-SG 2.03Å; C1707-C1769 PolarHBondContact SG-SG 3.36Å; C1707-V1771 HydrophobicContact CB-CG2 3.49Å; C1707-V1771 VanDerWaalsContact CB-CG2 3.49Å |
| 1708 | M | 93.5 | Very high | 91.3 | Very high | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.039 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 126.5 | 175.1 | -78.4 | -78.7 | -74.5 | 0 | 0 | 110.8 | Q1557 L1629 G1684 V1685 L1687 H1710 P1715 | Q1557-M1708 HydrophobicContact CG-CE 4.16Å; L1629-M1708 HydrophobicContact CD1-CE 3.83Å; L1629-M1708 HydrophobicContact CD1-SD 4.04Å; L1629-M1708 HydrophobicContact CD2-CE 3.95Å; L1629-M1708 HydrophobicContact CD2-SD 3.85Å; L1629-M1708 HydrophobicContact CG-CE 4.18Å; G1684-M1708 CarbonylContact C-O 3.48Å; G1684-M1708 VanDerWaalsContact CA-O 3.24Å; G1684-M1708 WeakPolarHBondContact CA-O 3.29Å; V1685-M1708 HydrophobicContact CG2-CB 4.27Å; V1685-M1708 WeakPolarHBondContact CG2-O 3.35Å; V1685-M1708 PolarHBondContact N-O 2.97Å; V1685-M1708 PolarHBondContact O-N 3.12Å; L1687-M1708 HydrophobicContact CB-CG 3.98Å; L1687-M1708 HydrophobicContact CD2-CG 3.7Å; L1687-M1708 HydrophobicContact CG-CG 4.46Å; M1708-H1710 VanDerWaalsContact C-N 3.32Å; M1708-H1710 PolarHBondContact O-N 3.08Å; M1708-P1715 HydrophobicContact CE-CB 3.96Å |
| 1709 | E | 90.9 | Very high | 91.6 | Very high | 36 Ų | 36 | 31.1 Ų | 31.1 | 17% | 0.168 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -59.7 | -40.6 | -177.3 | -69.6 | -175.8 | -120 | 0 | 0 | 112.5 | R1554 W1682 | R1554-E1709 IonicContact CZ-OE1 2.6Å; R1554-E1709 VanDerWaalsContact CZ-OE1 3.24Å; R1554-E1709 IonicContact CZ-OE2 2.7Å; R1554-E1709 IonicContact NE-OE1 3.84Å; R1554-E1709 PolarHBondContact NE-OE1 3.4Å; R1554-E1709 IonicContact NE-OE2 2.62Å; R1554-E1709 IonicContact NH2-OE1 3.55Å; R1554-E1709 PolarHBondContact NH2-OE1 3.48Å; R1554-E1709 IonicContact NH2-OE2 2.69Å; R1554-E1709 PolarHBondContact NH2-OE2 3.1Å; W1682-E1709 HydrophobicContact CB-CG 4.42Å; W1682-E1709 VanDerWaalsContact CD1-CG 3.44Å; W1682-E1709 HydrophobicContact CG-CG 4.06Å |
| 1710 | H | 89.3 | Confident | 91.2 | Very high | 44 Ų | 44 | 31.9 Ų | 31.9 | 20% | 0.204 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -121.2 | 150.4 | 179.6 | -49.9 | -59.6 | 0 | 0 | 0 | 113.1 | E736 Q1557 L1632 M1708 | E736-H1710 IonicContact OE1-CE1 3.85Å; E736-H1710 IonicContact OE1-ND1 3.73Å; E736-H1710 PolarHBondContact OE1-ND1 3.28Å; Q1557-H1710 PolarHBondContact OE1-O 2.79Å; L1632-H1710 HydrophobicContact CD2-CB 4.18Å; M1708-H1710 VanDerWaalsContact C-N 3.32Å; M1708-H1710 PolarHBondContact O-N 3.08Å |
| 1711 | F | 88.7 | Confident | 90.3 | Very high | 38 Ų | 38 | 26.4 Ų | 26.4 | 17% | 0.167 | 13% | 0.134 | C | C | . | . | | | trans | -84.3 | 137.1 | 175.9 | 176.3 | -96.7 | 0 | 0 | 0 | 111.6 | V1685 Y1713 Y1736 V1762 L1763 V1766 | V1685-F1711 HydrophobicContact CG1-CB 4.22Å; V1685-F1711 HydrophobicContact CG2-CB 4.01Å; F1711-Y1713 HydrophobicContact CE1-CD1 4.16Å; F1711-Y1713 HydrophobicContact CE1-CD2 4.24Å; F1711-Y1713 AromaticContact CE1-CE1 3.84Å; F1711-Y1713 HydrophobicContact CE1-CE1 3.84Å; F1711-Y1713 AromaticContact CE1-CE2 3.91Å; F1711-Y1713 HydrophobicContact CE1-CE2 3.91Å; F1711-Y1713 HydrophobicContact CE1-CG 4.35Å; F1711-Y1713 AromaticContact CE1-CZ 3.7Å; F1711-Y1713 HydrophobicContact CZ-CD1 4.08Å; F1711-Y1713 AromaticContact CZ-CE1 3.89Å; F1711-Y1713 HydrophobicContact CZ-CE1 3.89Å; F1711-Y1736 HydrophobicContact CD2-CD1 4.46Å; F1711-Y1736 HydrophobicContact CD2-CD2 4.07Å; F1711-Y1736 HydrophobicContact CD2-CE1 4.16Å; F1711-Y1736 AromaticContact CD2-CE2 3.71Å; F1711-Y1736 HydrophobicContact CD2-CE2 3.71Å; F1711-Y1736 HydrophobicContact CD2-CG 4.43Å; F1711-Y1736 AromaticContact CD2-CZ 3.76Å; F1711-Y1736 AromaticContact CE2-CD2 3.64Å; F1711-Y1736 HydrophobicContact CE2-CD2 3.64Å; F1711-Y1736 AromaticContact CE2-CE2 3.48Å; F1711-Y1736 HydrophobicContact CE2-CE2 3.48Å; F1711-Y1736 VanDerWaalsContact CE2-CE2 3.48Å; F1711-Y1736 HydrophobicContact CE2-CG 4.3Å; F1711-Y1736 HydrophobicContact CZ-CE2 4.48Å; F1711-V1762 HydrophobicContact CE1-CG1 4.27Å; F1711-V1762 HydrophobicContact CZ-CG1 3.91Å; F1711-L1763 HydrophobicContact CB-CD2 3.74Å; F1711-L1763 HydrophobicContact CB-CG 4.13Å; F1711-L1763 HydrophobicContact CD1-CG 4.44Å; F1711-L1763 HydrophobicContact CG-CD2 4.35Å; F1711-L1763 HydrophobicContact CG-CG 4.35Å; F1711-V1766 HydrophobicContact CD2-CG2 4.2Å; F1711-V1766 HydrophobicContact CE2-CG2 3.88Å |
| 1712 | R | 86.2 | Confident | 89.1 | Confident | 55 Ų | 55 | 26.5 Ų | 26.5 | 21% | 0.208 | 13% | 0.134 | C | C | . | . | | | trans | -141 | 147.4 | 171.1 | -62.3 | -76.6 | -90.7 | -167.3 | -3 | 108.9 | T1631 L1632 V1633 P1715 Y1736 | T1631-R1712 VanDerWaalsContact O-CZ 3.27Å; T1631-R1712 PolarHBondContact O-NE 2.74Å; T1631-R1712 PolarHBondContact O-NH2 3.49Å; L1632-R1712 HydrophobicContact CD2-CG 4.3Å; L1632-R1712 PolarHBondContact O-NH1 3.4Å; V1633-R1712 PolarHBondContact O-NH2 3.28Å; R1712-P1715 HydrophobicContact CB-CB 3.96Å; R1712-P1715 HydrophobicContact CB-CG 4.46Å; R1712-P1715 HydrophobicContact CG-CB 4.45Å; R1712-Y1736 PolarHBondContact N-OH 3.3Å; R1712-Y1736 PolarHBondContact O-OH 2.83Å; R1712-Y1736 VanDerWaalsContact O-OH 3.08Å |
| 1713 | Y | 84.2 | Confident | 88 | Confident | 121 Ų | 121 | 28.7 Ų | 28.7 | 48% | 0.475 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -72 | -36.2 | 171.2 | -63.8 | -80.9 | 0 | 0 | 0 | 111.9 | F1711 A1757 V1762 | F1711-Y1713 HydrophobicContact CE1-CD1 4.16Å; F1711-Y1713 HydrophobicContact CE1-CD2 4.24Å; F1711-Y1713 AromaticContact CE1-CE1 3.84Å; F1711-Y1713 HydrophobicContact CE1-CE1 3.84Å; F1711-Y1713 AromaticContact CE1-CE2 3.91Å; F1711-Y1713 HydrophobicContact CE1-CE2 3.91Å; F1711-Y1713 HydrophobicContact CE1-CG 4.35Å; F1711-Y1713 AromaticContact CE1-CZ 3.7Å; F1711-Y1713 HydrophobicContact CZ-CD1 4.08Å; F1711-Y1713 AromaticContact CZ-CE1 3.89Å; F1711-Y1713 HydrophobicContact CZ-CE1 3.89Å; Y1713-A1757 HydrophobicContact CE2-CB 4.1Å; Y1713-A1757 WeakPolarHBondContact OH-CB 3.3Å; Y1713-V1762 HydrophobicContact CE1-CG1 4.29Å; Y1713-V1762 WeakPolarHBondContact OH-CG2 3.39Å |
| 1714 | S | 81.3 | Confident | 87.3 | Confident | 30 Ų | 30 | 29.5 Ų | 29.5 | 21% | 0.21 | 16% | 0.156 | C | C | . | . | | | trans | -128.9 | 95 | 168.5 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | V1716 | S1714-V1716 VanDerWaalsContact C-N 3.32Å; S1714-V1716 PolarHBondContact OG-O 3.25Å |
| 1715 | P | 85.7 | Confident | 87 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.013 | 17% | 0.167 | C | C | . | . | | | trans | -87.3 | 8.9 | 170.8 | 31.9 | -32.8 | 0 | 0 | 0 | 113.5 | L1629 A1630 M1708 R1712 V1734 | L1629-P1715 CarbonylContact C-O 3.33Å; L1629-P1715 WeakPolarHBondContact CA-O 3.34Å; L1629-P1715 HydrophobicContact CD1-CB 4.39Å; L1629-P1715 WeakPolarHBondContact CD1-O 3.46Å; A1630-P1715 PolarHBondContact N-O 3.42Å; M1708-P1715 HydrophobicContact CE-CB 3.96Å; R1712-P1715 HydrophobicContact CB-CB 3.96Å; R1712-P1715 HydrophobicContact CB-CG 4.46Å; R1712-P1715 HydrophobicContact CG-CB 4.45Å; P1715-V1734 HydrophobicContact CG-CB 4.18Å; P1715-V1734 HydrophobicContact CG-CG1 3.84Å; P1715-V1734 HydrophobicContact CG-CG2 3.85Å |
| 1716 | V | 89.7 | Confident | 86.8 | Confident | 14 Ų | 14 | 31.7 Ų | 31.7 | 9% | 0.085 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 136.6 | -177.7 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | Y1627 W1628 H1690 S1714 | Y1627-V1716 HydrophobicContact CD1-CG1 4.03Å; Y1627-V1716 HydrophobicContact CG-CG1 4.39Å; W1628-V1716 CarbonylContact O-C 3.41Å; W1628-V1716 WeakPolarHBondContact O-CA 3.33Å; H1690-V1716 HydrophobicContact CB-CG2 4.15Å; S1714-V1716 VanDerWaalsContact C-N 3.32Å; S1714-V1716 PolarHBondContact OG-O 3.25Å |
| 1717 | I | 91.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 135.5 | 170.7 | -169.1 | 178.6 | 0 | 0 | 0 | 108.8 | Y1627 W1628 I1640 Q1648 I1649 C1726 H1727 Y1728 | Y1627-I1717 WeakPolarHBondContact CA-O 3.04Å; W1628-I1717 HydrophobicContact CB-CG2 4.04Å; W1628-I1717 PolarHBondContact N-O 3.07Å; W1628-I1717 PolarHBondContact O-N 3.12Å; I1640-I1717 HydrophobicContact CD1-CD1 4.26Å; Q1648-I1717 HydrophobicContact CB-CD1 4.18Å; I1649-I1717 HydrophobicContact CD1-CG2 3.7Å; I1717-C1726 HydrophobicContact CD1-CB 3.84Å; I1717-C1726 HydrophobicContact CG1-CB 4.17Å; I1717-H1727 WeakPolarHBondContact CG1-O 3.29Å; I1717-Y1728 HydrophobicContact CB-CD1 4.21Å; I1717-Y1728 HydrophobicContact CB-CE1 3.94Å; I1717-Y1728 HydrophobicContact CD1-CD2 4.18Å; I1717-Y1728 HydrophobicContact CD1-CE2 3.78Å; I1717-Y1728 HydrophobicContact CG1-CD1 4.37Å; I1717-Y1728 HydrophobicContact CG1-CD2 4.26Å; I1717-Y1728 HydrophobicContact CG1-CE1 4.32Å; I1717-Y1728 HydrophobicContact CG1-CE2 4.2Å; I1717-Y1728 HydrophobicContact CG1-CG 4.37Å |
| 1718 | E | 90.9 | Very high | 86.3 | Confident | 8 Ų | 8 | 33.7 Ų | 33.7 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 141.6 | 172.4 | -175.8 | 179.1 | 107.7 | 0 | 0 | 109.6 | R1625 Y1627 C1726 H1727 W1729 | R1625-E1718 WeakPolarHBondContact CD-OE2 2.83Å; R1625-E1718 IonicContact CZ-OE1 2.65Å; R1625-E1718 IonicContact CZ-OE2 3.72Å; R1625-E1718 IonicContact NE-OE1 3.24Å; R1625-E1718 VanDerWaalsContact NH1-CD 3.28Å; R1625-E1718 IonicContact NH1-OE1 2.71Å; R1625-E1718 PolarHBondContact NH1-OE1 3.31Å; R1625-E1718 IonicContact NH1-OE2 3.5Å; R1625-E1718 PolarHBondContact NH1-OE2 3.3Å; Y1627-E1718 HydrophobicContact CD1-CB 3.91Å; Y1627-E1718 HydrophobicContact CD1-CG 4.11Å; Y1627-E1718 HydrophobicContact CE1-CB 3.59Å; Y1627-E1718 HydrophobicContact CE1-CG 3.51Å; Y1627-E1718 VanDerWaalsContact CE1-OE2 3.28Å; Y1627-E1718 WeakPolarHBondContact CE1-OE2 3.09Å; Y1627-E1718 VanDerWaalsContact CZ-OE2 3.29Å; Y1627-E1718 PolarHBondContact OH-OE2 3.25Å; E1718-C1726 CarbonylContact O-C 3.17Å; E1718-C1726 WeakPolarHBondContact O-CA 3.37Å; E1718-C1726 WeakPolarHBondContact O-CB 3.3Å; E1718-H1727 PolarHBondContact N-O 3.31Å; E1718-H1727 PolarHBondContact O-N 3.28Å; E1718-W1729 VanDerWaalsContact CD-CD1 3.46Å; E1718-W1729 VanDerWaalsContact CD-NE1 3.27Å; E1718-W1729 PolarHBondContact OE1-NE1 3.36Å |
| 1719 | C | 91.1 | Very high | 86 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 131.5 | 169.6 | -71 | 0 | 0 | 0 | 0 | 109.9 | S1626 C1726 | S1626-C1719 PolarHBondContact N-O 2.86Å; S1626-C1719 PolarHBondContact O-N 2.8Å; C1719-C1726 VanDerWaalsContact CA-SG 3.51Å; C1719-C1726 HydrophobicContact CB-CB 4.06Å; C1719-C1726 WeakPolarHBondContact CB-SG 3.38Å; C1719-C1726 WeakPolarHBondContact SG-CB 3.48Å; C1719-C1726 CovalentContact SG-SG 2.04Å; C1719-C1726 PolarHBondContact SG-SG 3.03Å |
| 1720 | N | 85.8 | Confident | 85.7 | Confident | 29 Ų | 29 | 40.2 Ų | 40.2 | 16% | 0.155 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 125.2 | -178.9 | -174 | -49.3 | 0 | 0 | 0 | 109.4 | N1722 G1724 M1725 | N1720-N1722 PolarHBondContact OD1-N 3.34Å; N1720-N1722 VanDerWaalsContact OD1-N 3.13Å; N1720-G1724 PolarHBondContact O-N 2.99Å; N1720-M1725 PolarHBondContact N-O 3.45Å; N1720-M1725 PolarHBondContact O-N 3.42Å |
| 1721 | N | 75.3 | Confident | 85.5 | Confident | 14 Ų | 14 | 39.5 Ų | 39.5 | 8% | 0.075 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -50.9 | -177.3 | 62.2 | -16.7 | 0 | 0 | 0 | 112.9 | L1606 S1620 R1622 E1624 V1723 G1724 | L1606-N1721 HydrophobicContact CB-CB 4.13Å; S1620-N1721 WeakPolarHBondContact CA-ND2 3.11Å; R1622-N1721 PolarHBondContact O-ND2 3.09Å; R1622-N1721 PolarHBondContact O-OD1 2.99Å; R1622-N1721 VanDerWaalsContact O-OD1 3.06Å; E1624-N1721 WeakPolarHBondContact CB-ND2 3.37Å; E1624-N1721 PolarHBondContact N-OD1 3.23Å; E1624-N1721 PolarHBondContact O-OD1 2.59Å; E1624-N1721 PolarHBondContact OE2-ND2 3.06Å; N1721-V1723 VanDerWaalsContact C-N 3.28Å; N1721-V1723 PolarHBondContact O-N 3.01Å; N1721-G1724 PolarHBondContact O-N 3.38Å |
| 1722 | N | 69.5 | Low | 85.2 | Confident | 75 Ų | 75 | 38.6 Ų | 38.6 | 40% | 0.401 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -24 | -170.7 | -73.8 | -0.4 | 0 | 0 | 0 | 113.4 | R1622 N1720 | R1622-N1722 PolarHBondContact O-ND2 2.97Å; R1622-N1722 PolarHBondContact O-OD1 3.11Å; R1622-N1722 VanDerWaalsContact O-OD1 3.07Å; N1720-N1722 PolarHBondContact OD1-N 3.34Å; N1720-N1722 VanDerWaalsContact OD1-N 3.13Å |
| 1723 | V | 73.6 | Confident | 85.3 | Confident | 94 Ų | 94 | 39.3 Ų | 39.3 | 57% | 0.57 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -13.9 | 179.1 | -160.7 | 0 | 0 | 0 | 0 | 111.7 | N1721 M1725 | N1721-V1723 VanDerWaalsContact C-N 3.28Å; N1721-V1723 PolarHBondContact O-N 3.01Å; V1723-M1725 HydrophobicContact CB-CB 4.21Å; V1723-M1725 HydrophobicContact CB-CG 4.22Å; V1723-M1725 HydrophobicContact CG1-CB 4.13Å; V1723-M1725 HydrophobicContact CG1-CG 3.69Å; V1723-M1725 WeakPolarHBondContact O-CG 3.28Å; V1723-M1725 PolarHBondContact O-N 3.21Å |
| 1724 | G | 81.9 | Confident | 85.5 | Confident | 31 Ų | 31 | 35 Ų | 35 | 32% | 0.32 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 28.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1642 N1720 N1721 | V1642-G1724 WeakPolarHBondContact CG2-O 3.31Å; V1642-G1724 PolarHBondContact N-O 3.14Å; N1720-G1724 PolarHBondContact O-N 2.99Å; N1721-G1724 PolarHBondContact O-N 3.38Å |
| 1725 | M | 89.5 | Confident | 86 | Confident | 62 Ų | 62 | 38.5 Ų | 38.5 | 31% | 0.305 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 151.4 | -170.6 | -70.4 | -75.5 | -178.4 | 0 | 0 | 112.1 | P1639 I1640 P1641 N1720 V1723 | P1639-M1725 HydrophobicContact CB-CB 4.3Å; P1639-M1725 HydrophobicContact CB-CG 4.23Å; P1639-M1725 HydrophobicContact CB-SD 3.8Å; I1640-M1725 VanDerWaalsContact C-SD 3.53Å; I1640-M1725 CarbonylContact O-C 3.07Å; I1640-M1725 WeakPolarHBondContact O-CA 3.41Å; P1641-M1725 HydrophobicContact CB-SD 4.43Å; P1641-M1725 HydrophobicContact CG-CE 4.04Å; P1641-M1725 HydrophobicContact CG-SD 3.99Å; P1641-M1725 VanDerWaalsContact N-SD 3.43Å; N1720-M1725 PolarHBondContact N-O 3.45Å; N1720-M1725 PolarHBondContact O-N 3.42Å; V1723-M1725 HydrophobicContact CB-CB 4.21Å; V1723-M1725 HydrophobicContact CB-CG 4.22Å; V1723-M1725 HydrophobicContact CG1-CB 4.13Å; V1723-M1725 HydrophobicContact CG1-CG 3.69Å; V1723-M1725 WeakPolarHBondContact O-CG 3.28Å; V1723-M1725 PolarHBondContact O-N 3.21Å |
| 1726 | C | 92.5 | Very high | 86.4 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 145.1 | 167.7 | -52.7 | 0 | 0 | 0 | 0 | 111.6 | I1640 T1645 I1717 E1718 C1719 | I1640-C1726 PolarHBondContact N-O 3.24Å; I1640-C1726 PolarHBondContact O-N 3.13Å; T1645-C1726 HydrophobicContact CG2-CB 3.76Å; I1717-C1726 HydrophobicContact CD1-CB 3.84Å; I1717-C1726 HydrophobicContact CG1-CB 4.17Å; E1718-C1726 CarbonylContact O-C 3.17Å; E1718-C1726 WeakPolarHBondContact O-CA 3.37Å; E1718-C1726 WeakPolarHBondContact O-CB 3.3Å; C1719-C1726 VanDerWaalsContact CA-SG 3.51Å; C1719-C1726 HydrophobicContact CB-CB 4.06Å; C1719-C1726 WeakPolarHBondContact CB-SG 3.38Å; C1719-C1726 WeakPolarHBondContact SG-CB 3.48Å; C1719-C1726 CovalentContact SG-SG 2.04Å; C1719-C1726 PolarHBondContact SG-SG 3.03Å |
| 1727 | H | 91.7 | Very high | 86.6 | Confident | 31 Ų | 31 | 40.8 Ų | 40.8 | 14% | 0.144 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 151.1 | -178.2 | -149.3 | -62.9 | 0 | 0 | 0 | 112.4 | P1639 I1717 E1718 W1729 | P1639-H1727 VanDerWaalsContact CA-CD2 3.44Å; P1639-H1727 WeakPolarHBondContact CA-CD2 3.3Å; P1639-H1727 VanDerWaalsContact N-CD2 3.31Å; I1717-H1727 WeakPolarHBondContact CG1-O 3.29Å; E1718-H1727 PolarHBondContact N-O 3.31Å; E1718-H1727 PolarHBondContact O-N 3.28Å; H1727-W1729 HydrophobicContact CB-CD2 4.04Å; H1727-W1729 HydrophobicContact CB-CE3 4.48Å; H1727-W1729 HydrophobicContact CB-CG 4.47Å; H1727-W1729 HydrophobicContact CB-CZ2 4.12Å |
| 1728 | Y | 89.8 | Confident | 86.5 | Confident | 14 Ų | 14 | 45.7 Ų | 45.7 | 6% | 0.055 | 23% | 0.23 | C | C | . | . | | | trans | -88.1 | 96.6 | 160.5 | -61.4 | -88.6 | 0 | 0 | 0 | 108.6 | A1630 R1635 Q1648 I1717 | A1630-Y1728 HydrophobicContact CB-CE1 3.63Å; R1635-Y1728 HydrophobicContact CB-CD1 4.44Å; R1635-Y1728 HydrophobicContact CB-CD2 3.58Å; R1635-Y1728 HydrophobicContact CB-CE1 4.46Å; R1635-Y1728 HydrophobicContact CB-CE2 3.63Å; R1635-Y1728 HydrophobicContact CB-CG 3.99Å; Q1648-Y1728 VanDerWaalsContact OE1-CE2 3.31Å; Q1648-Y1728 PolarHBondContact OE1-OH 2.73Å; I1717-Y1728 HydrophobicContact CB-CD1 4.21Å; I1717-Y1728 HydrophobicContact CB-CE1 3.94Å; I1717-Y1728 HydrophobicContact CD1-CD2 4.18Å; I1717-Y1728 HydrophobicContact CD1-CE2 3.78Å; I1717-Y1728 HydrophobicContact CG1-CD1 4.37Å; I1717-Y1728 HydrophobicContact CG1-CD2 4.26Å; I1717-Y1728 HydrophobicContact CG1-CE1 4.32Å; I1717-Y1728 HydrophobicContact CG1-CE2 4.2Å; I1717-Y1728 HydrophobicContact CG1-CG 4.37Å |
| 1729 | W | 86.9 | Confident | 86.4 | Confident | 120 Ų | 120 | 45.7 Ų | 45.7 | 46% | 0.455 | 23% | 0.232 | S | C | . | . | | | trans | -77.7 | 172.6 | 175.4 | -56.9 | 119.9 | 0 | 0 | 0 | 112.1 | E1718 H1727 D1731 A1732 | E1718-W1729 VanDerWaalsContact CD-CD1 3.46Å; E1718-W1729 VanDerWaalsContact CD-NE1 3.27Å; E1718-W1729 PolarHBondContact OE1-NE1 3.36Å; H1727-W1729 HydrophobicContact CB-CD2 4.04Å; H1727-W1729 HydrophobicContact CB-CE3 4.48Å; H1727-W1729 HydrophobicContact CB-CG 4.47Å; H1727-W1729 HydrophobicContact CB-CZ2 4.12Å; W1729-D1731 WeakPolarHBondContact CB-OD1 3.28Å; W1729-A1732 WeakPolarHBondContact O-CB 2.97Å |
| 1730 | S | 84.5 | Confident | 86.2 | Confident | 61 Ų | 61 | 49.6 Ų | 49.6 | 43% | 0.427 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -102.9 | -25.7 | -170.9 | 48.1 | 0 | 0 | 0 | 0 | 115.5 | E616 A1732 | E616-S1730 PolarHBondContact O-OG 2.83Å; S1730-A1732 PolarHBondContact O-N 3.39Å |
| 1731 | D | 85.1 | Confident | 86 | Confident | 29 Ų | 29 | 52.3 Ų | 52.3 | 16% | 0.155 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -61.6 | -21.1 | 162.3 | 62.3 | -57.7 | 0 | 0 | 0 | 112.2 | E616 S1692 G1693 W1729 K1733 | E616-D1731 WeakPolarHBondContact OE2-CA 3.34Å; E616-D1731 WeakPolarHBondContact OE2-CB 3.21Å; S1692-D1731 VanDerWaalsContact C-OD2 3.28Å; S1692-D1731 VanDerWaalsContact CA-OD2 3.31Å; S1692-D1731 WeakPolarHBondContact CA-OD2 3.26Å; S1692-D1731 WeakPolarHBondContact CB-OD2 3.38Å; S1692-D1731 PolarHBondContact OG-OD2 2.88Å; G1693-D1731 PolarHBondContact N-OD2 2.77Å; W1729-D1731 WeakPolarHBondContact CB-OD1 3.28Å; D1731-K1733 VanDerWaalsContact O-CD 3.26Å; D1731-K1733 WeakPolarHBondContact O-CD 3.05Å; D1731-K1733 WeakPolarHBondContact O-CG 3.46Å; D1731-K1733 PolarHBondContact O-N 2.66Å |
| 1732 | A | 82.6 | Confident | 86.1 | Confident | 20 Ų | 20 | 57.4 Ų | 57.4 | 17% | 0.165 | 30% | 0.301 | C | S | . | . | | | trans | -66.2 | 96.7 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | T1691 W1729 S1730 | T1691-A1732 CarbonylContact O-C 3.55Å; T1691-A1732 WeakPolarHBondContact O-CA 3.45Å; W1729-A1732 WeakPolarHBondContact O-CB 2.97Å; S1730-A1732 PolarHBondContact O-N 3.39Å |
| 1733 | K | 87.7 | Confident | 86.6 | Confident | 70 Ų | 70 | 60.8 Ų | 60.8 | 30% | 0.304 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 140.7 | -175.1 | -65.4 | 139 | -177.1 | 157.8 | 0 | 110.9 | E616 H1690 T1691 D1731 Y1735 | E616-K1733 IonicContact OE1-NZ 2.97Å; E616-K1733 PolarHBondContact OE1-NZ 3.38Å; E616-K1733 IonicContact OE2-NZ 2.7Å; E616-K1733 PolarHBondContact OE2-NZ 2.87Å; H1690-K1733 CarbonylContact C-O 3.19Å; H1690-K1733 WeakPolarHBondContact CA-O 3.46Å; T1691-K1733 PolarHBondContact N-O 2.91Å; T1691-K1733 PolarHBondContact O-N 2.98Å; D1731-K1733 VanDerWaalsContact O-CD 3.26Å; D1731-K1733 WeakPolarHBondContact O-CD 3.05Å; D1731-K1733 WeakPolarHBondContact O-CG 3.46Å; D1731-K1733 PolarHBondContact O-N 2.66Å; K1733-Y1735 HydrophobicContact CB-CE2 3.73Å |
| 1734 | V | 88.9 | Confident | 86.6 | Confident | 29 Ų | 29 | 60.7 Ų | 60.7 | 18% | 0.176 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 133.4 | 177.1 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | L1687 H1690 P1715 Y1736 | L1687-V1734 HydrophobicContact CD1-CG1 3.39Å; H1690-V1734 HydrophobicContact CB-CG2 3.75Å; P1715-V1734 HydrophobicContact CG-CB 4.18Å; P1715-V1734 HydrophobicContact CG-CG1 3.84Å; P1715-V1734 HydrophobicContact CG-CG2 3.85Å; V1734-Y1736 HydrophobicContact CG1-CD2 4.39Å; V1734-Y1736 HydrophobicContact CG1-CE2 3.83Å |
| 1735 | Y | 92.2 | Very high | 86.2 | Confident | 105 Ų | 105 | 62.4 Ų | 62.4 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 123.6 | -168.5 | -58.1 | -107.3 | 0 | 0 | 0 | 109.9 | I1688 L1689 T1691 K1733 | I1688-Y1735 PolarHBondContact N-O 3.5Å; L1689-Y1735 HydrophobicContact CD1-CD2 3.66Å; L1689-Y1735 HydrophobicContact CD1-CE2 3.96Å; L1689-Y1735 HydrophobicContact CD1-CG 4.28Å; L1689-Y1735 HydrophobicContact CD2-CD2 4.18Å; L1689-Y1735 HydrophobicContact CD2-CG 3.98Å; L1689-Y1735 HydrophobicContact CG-CD2 3.62Å; L1689-Y1735 HydrophobicContact CG-CE2 4.42Å; L1689-Y1735 HydrophobicContact CG-CG 3.91Å; L1689-Y1735 PolarHBondContact N-O 3.03Å; L1689-Y1735 PolarHBondContact O-N 2.98Å; T1691-Y1735 HydrophobicContact CG2-CE2 4.13Å; K1733-Y1735 HydrophobicContact CB-CE2 3.73Å |
| 1736 | Y | 93.2 | Very high | 85.8 | Confident | 34 Ų | 34 | 66.5 Ų | 66.5 | 13% | 0.133 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 150.4 | 176.7 | -64.7 | -91.2 | 0 | 0 | 0 | 110.4 | V1685 S1686 L1687 F1711 R1712 V1734 R1738 V1766 | V1685-Y1736 HydrophobicContact CB-CD1 4.24Å; V1685-Y1736 HydrophobicContact CB-CE1 4.3Å; V1685-Y1736 HydrophobicContact CG2-CD1 4.09Å; V1685-Y1736 HydrophobicContact CG2-CE1 3.64Å; S1686-Y1736 CarbonylContact O-C 3.52Å; S1686-Y1736 WeakPolarHBondContact O-CA 3.27Å; S1686-Y1736 WeakPolarHBondContact O-CB 3.12Å; L1687-Y1736 HydrophobicContact CB-CD1 4.36Å; L1687-Y1736 HydrophobicContact CB-CE1 4.23Å; L1687-Y1736 HydrophobicContact CD1-CE1 4.41Å; F1711-Y1736 HydrophobicContact CD2-CD1 4.46Å; F1711-Y1736 HydrophobicContact CD2-CD2 4.07Å; F1711-Y1736 HydrophobicContact CD2-CE1 4.16Å; F1711-Y1736 AromaticContact CD2-CE2 3.71Å; F1711-Y1736 HydrophobicContact CD2-CE2 3.71Å; F1711-Y1736 HydrophobicContact CD2-CG 4.43Å; F1711-Y1736 AromaticContact CD2-CZ 3.76Å; F1711-Y1736 AromaticContact CE2-CD2 3.64Å; F1711-Y1736 HydrophobicContact CE2-CD2 3.64Å; F1711-Y1736 AromaticContact CE2-CE2 3.48Å; F1711-Y1736 HydrophobicContact CE2-CE2 3.48Å; F1711-Y1736 VanDerWaalsContact CE2-CE2 3.48Å; F1711-Y1736 HydrophobicContact CE2-CG 4.3Å; F1711-Y1736 HydrophobicContact CZ-CE2 4.48Å; R1712-Y1736 PolarHBondContact N-OH 3.3Å; R1712-Y1736 PolarHBondContact O-OH 2.83Å; R1712-Y1736 VanDerWaalsContact O-OH 3.08Å; V1734-Y1736 HydrophobicContact CG1-CD2 4.39Å; V1734-Y1736 HydrophobicContact CG1-CE2 3.83Å; Y1736-R1738 PolarHBondContact O-N 3.13Å; Y1736-V1766 HydrophobicContact CD1-CG1 4.25Å; Y1736-V1766 HydrophobicContact CG-CG1 4.21Å |
| 1737 | L | 93.9 | Very high | 85.5 | Confident | 29 Ų | 29 | 74.4 Ų | 74.4 | 15% | 0.152 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 131.1 | 169 | -84.5 | 171.5 | 0 | 0 | 0 | 109.1 | H1665 Q1667 S1686 I1688 L1701 S1767 | H1665-L1737 HydrophobicContact CB-CD1 3.91Å; Q1667-L1737 HydrophobicContact CG-CD1 4.43Å; S1686-L1737 PolarHBondContact O-N 2.9Å; I1688-L1737 HydrophobicContact CD1-CB 4.33Å; I1688-L1737 HydrophobicContact CD1-CD2 3.78Å; I1688-L1737 HydrophobicContact CD1-CG 3.74Å; I1688-L1737 HydrophobicContact CG1-CB 4.49Å; I1688-L1737 HydrophobicContact CG1-CD2 4.45Å; I1688-L1737 HydrophobicContact CG1-CG 3.89Å; L1701-L1737 HydrophobicContact CD1-CD1 4.18Å; L1701-L1737 HydrophobicContact CD2-CD1 3.89Å; L1701-L1737 HydrophobicContact CD2-CG 4.38Å; L1737-S1767 WeakPolarHBondContact O-CB 3.31Å; L1737-S1767 PolarHBondContact O-N 3.16Å |
| 1738 | R | 90.5 | Very high | 85.2 | Confident | 103 Ų | 103 | 78 Ų | 78 | 39% | 0.389 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -73.3 | 139.6 | 175.2 | 175.8 | 165.8 | 165.5 | 172.8 | -8.3 | 110.7 | Y1736 V1751 N1765 | Y1736-R1738 PolarHBondContact O-N 3.13Å; R1738-V1751 PolarHBondContact NH1-O 3.37Å; R1738-V1751 PolarHBondContact NH2-O 2.8Å; R1738-N1765 CarbonylContact C-O 3.52Å; R1738-N1765 WeakPolarHBondContact CA-O 3.28Å |
| 1739 | A | 89.4 | Confident | 85 | Confident | 9 Ų | 9 | 86.6 Ų | 86.6 | 7% | 0.074 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 128.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | N1764 N1765 | A1739-N1764 WeakPolarHBondContact CB-O 2.93Å; A1739-N1765 PolarHBondContact N-O 2.98Å |
| 1740 | L | 86.9 | Confident | 84.7 | Confident | 82 Ų | 82 | 85.5 Ų | 85.5 | 43% | 0.429 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -95.2 | 137.7 | 174.5 | -56.6 | -179.5 | 0 | 0 | 0 | 109 | Q1667 P1742 | Q1667-L1740 PolarHBondContact O-N 3.45Å; L1740-P1742 WeakPolarHBondContact O-CD 3.07Å |
| 1741 | N | 79.9 | Confident | 84.4 | Confident | 85 Ų | 85 | 87.6 Ų | 87.6 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 117.2 | 172.4 | 180 | -17.9 | 0 | 0 | 0 | 108.4 | N1743 I1744 | N1741-N1743 PolarHBondContact O-N 3.01Å; N1741-N1743 WeakPolarHBondContact OD1-CB 3.36Å; N1741-N1743 PolarHBondContact OD1-N 2.63Å; N1741-N1743 PolarHBondContact OD1-ND2 2.66Å; N1741-I1744 HydrophobicContact CB-CD1 4Å; N1741-I1744 HydrophobicContact CB-CG1 4.13Å; N1741-I1744 PolarHBondContact O-N 2.66Å |
| 1742 | P | 77.7 | Confident | 84.3 | Confident | 121 Ų | 121 | 89.5 Ų | 89.5 | 79% | 0.786 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -5.6 | -174.6 | 28.8 | -36.8 | 0 | 0 | 0 | 114.3 | L1740 | L1740-P1742 WeakPolarHBondContact O-CD 3.07Š|
| 1743 | N | 80 | Confident | 84.2 | Confident | 146 Ų | 146 | 93 Ų | 93 | 78% | 0.781 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -9.3 | 173.9 | -55 | -80 | 0 | 0 | 0 | 113.3 | N1741 | N1741-N1743 PolarHBondContact O-N 3.01Å; N1741-N1743 WeakPolarHBondContact OD1-CB 3.36Å; N1741-N1743 PolarHBondContact OD1-N 2.63Å; N1741-N1743 PolarHBondContact OD1-ND2 2.66Å |
| 1744 | I | 74.8 | Confident | 84 | Confident | 92 Ų | 92 | 95.5 Ų | 95.5 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -102.7 | 139.7 | 176.2 | -57.2 | -179.8 | 0 | 0 | 0 | 107.4 | N1741 E1748 | N1741-I1744 HydrophobicContact CB-CD1 4Å; N1741-I1744 HydrophobicContact CB-CG1 4.13Å; N1741-I1744 PolarHBondContact O-N 2.66Å; I1744-E1748 HydrophobicContact CG2-CB 3.93Å; I1744-E1748 HydrophobicContact CG2-CG 4.47Å |
| 1745 | T | 72.1 | Confident | 83.4 | Confident | 68 Ų | 68 | 97.6 Ų | 97.6 | 42% | 0.417 | 51% | 0.512 | S | S | . | . | | | trans | -71.9 | 139 | 176.8 | 68.6 | 0 | 0 | 0 | 0 | 110.3 | F1747 E1748 | T1745-F1747 PolarHBondContact O-N 3.27Å; T1745-E1748 WeakPolarHBondContact CB-OE1 3.24Å; T1745-E1748 WeakPolarHBondContact CG2-OE1 3.3Å; T1745-E1748 PolarHBondContact N-OE1 3.44Å; T1745-E1748 PolarHBondContact O-N 2.8Å; T1745-E1748 WeakPolarHBondContact OG1-CG 3.21Å; T1745-E1748 PolarHBondContact OG1-OE1 3.47Å |
| 1746 | Q | 82.7 | Confident | 82.8 | Confident | 148 Ų | 148 | 96.6 Ų | 96.6 | 69% | 0.692 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -7.7 | -175.4 | 73.3 | -174.4 | 23.4 | 0 | 0 | 115 | | |
| 1747 | F | 86 | Confident | 81.6 | Confident | 167 Ų | 167 | 97 Ų | 97 | 73% | 0.732 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.7 | 5.5 | 179.1 | -55.8 | -66.8 | 0 | 0 | 0 | 112.9 | T1745 | T1745-F1747 PolarHBondContact O-N 3.27Š|
| 1748 | E | 84.6 | Confident | 79.7 | Confident | 106 Ų | 106 | 100.4 Ų | 100.4 | 50% | 0.495 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -72.8 | 141.5 | 165.5 | -85 | 161.5 | -99.8 | 0 | 0 | 110.3 | I1744 T1745 P1750 | I1744-E1748 HydrophobicContact CG2-CB 3.93Å; I1744-E1748 HydrophobicContact CG2-CG 4.47Å; T1745-E1748 WeakPolarHBondContact CB-OE1 3.24Å; T1745-E1748 WeakPolarHBondContact CG2-OE1 3.3Å; T1745-E1748 PolarHBondContact N-OE1 3.44Å; T1745-E1748 PolarHBondContact O-N 2.8Å; T1745-E1748 WeakPolarHBondContact OG1-CG 3.21Å; T1745-E1748 PolarHBondContact OG1-OE1 3.47Å; E1748-P1750 WeakPolarHBondContact O-CD 2.99Å; E1748-P1750 VanDerWaalsContact O-N 3.16Å |
| 1749 | K | 84.7 | Confident | 77.9 | Confident | 194 Ų | 194 | 101.8 Ų | 101.8 | 84% | 0.843 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 121.6 | -179.5 | 179.8 | 176.1 | 178.6 | 175.7 | 0 | 110 | V1751 | K1749-V1751 PolarHBondContact O-N 2.91Š|
| 1750 | P | 80.5 | Confident | 76.4 | Confident | 97 Ų | 97 | 102.6 Ų | 102.6 | 63% | 0.63 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 125.6 | 177.5 | -26.1 | 35 | 0 | 0 | 0 | 111.3 | E1748 G1752 | E1748-P1750 WeakPolarHBondContact O-CD 2.99Å; E1748-P1750 VanDerWaalsContact O-N 3.16Å; P1750-G1752 PolarHBondContact O-N 3.02Å |
| 1751 | V | 80 | Confident | 75.7 | Confident | 106 Ų | 106 | 100.1 Ų | 100.1 | 64% | 0.642 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 121.1 | 164.3 | -178 | 0 | 0 | 0 | 0 | 107.2 | R1738 K1749 F1753 | R1738-V1751 PolarHBondContact NH1-O 3.37Å; R1738-V1751 PolarHBondContact NH2-O 2.8Å; K1749-V1751 PolarHBondContact O-N 2.91Å; V1751-F1753 WeakPolarHBondContact O-CD1 3.32Å |
| 1752 | G | 81.7 | Confident | 75.8 | Confident | 68 Ų | 68 | 96.7 Ų | 96.7 | 70% | 0.701 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -79.7 | 135.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | P1750 | P1750-G1752 PolarHBondContact O-N 3.02Š|
| 1753 | F | 80.3 | Confident | 76.1 | Confident | 95 Ų | 95 | 93.2 Ų | 93.2 | 42% | 0.417 | 52% | 0.518 | S | S | . | . | | | trans | -150.1 | 149.7 | 174.6 | 56.9 | -88.5 | 0 | 0 | 0 | 108.9 | V1751 M1755 N1765 | V1751-F1753 WeakPolarHBondContact O-CD1 3.32Å; F1753-M1755 HydrophobicContact CD2-CG 3.67Å; F1753-M1755 HydrophobicContact CD2-SD 4.47Å; F1753-M1755 HydrophobicContact CE2-CE 4.21Å; F1753-M1755 HydrophobicContact CE2-CG 3.45Å; F1753-M1755 VanDerWaalsContact CE2-CG 3.45Å; F1753-M1755 HydrophobicContact CE2-SD 3.67Å; F1753-M1755 HydrophobicContact CZ-SD 4.5Å; F1753-N1765 HydrophobicContact CZ-CB 4.45Å; F1753-N1765 WeakPolarHBondContact CZ-OD1 3.42Å |
| 1754 | V | 83.3 | Confident | 76.3 | Confident | 122 Ų | 122 | 88.8 Ų | 88.8 | 74% | 0.739 | 50% | 0.495 | S | S | * | . | | | trans | -85.6 | 145.1 | 171.1 | 179.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1755 | M | 78 | Confident | 76.9 | Confident | 72 Ų | 72 | 87 Ų | 87 | 36% | 0.355 | 49% | 0.486 | S | S | . | . | | | trans | -119.1 | 107.3 | 174.6 | -73.9 | -174.5 | -78.4 | 0 | 0 | 109.6 | F1753 V1762 N1765 | F1753-M1755 HydrophobicContact CD2-CG 3.67Å; F1753-M1755 HydrophobicContact CD2-SD 4.47Å; F1753-M1755 HydrophobicContact CE2-CE 4.21Å; F1753-M1755 HydrophobicContact CE2-CG 3.45Å; F1753-M1755 VanDerWaalsContact CE2-CG 3.45Å; F1753-M1755 HydrophobicContact CE2-SD 3.67Å; F1753-M1755 HydrophobicContact CZ-SD 4.5Å; M1755-V1762 HydrophobicContact CB-CG1 4.23Å; M1755-V1762 HydrophobicContact CB-CG2 3.92Å; M1755-V1762 HydrophobicContact CE-CG1 4.11Å; M1755-V1762 HydrophobicContact SD-CB 4.37Å; M1755-V1762 HydrophobicContact SD-CG1 3.87Å; M1755-N1765 HydrophobicContact CE-CB 3.87Å; M1755-N1765 HydrophobicContact SD-CB 3.41Å; M1755-N1765 WeakPolarHBondContact SD-CB 3.44Å; M1755-N1765 PolarHBondContact SD-ND2 2.64Å; M1755-N1765 VanDerWaalsContact SD-ND2 3.4Å |
| 1756 | K | 78.4 | Confident | 77.8 | Confident | 84 Ų | 84 | 84.1 Ų | 84.1 | 37% | 0.365 | 47% | 0.468 | S | S | . | . | | | trans | -86.7 | 142.6 | 168.2 | -57.6 | -179.6 | -168.4 | 159.2 | 0 | 109.1 | G239 A1758 E1759 | G239-K1756 WeakPolarHBondContact O-CE 3.48Å; G239-K1756 PolarHBondContact O-NZ 2.87Å; K1756-A1758 PolarHBondContact O-N 2.97Å; K1756-E1759 HydrophobicContact CB-CB 4.46Å; K1756-E1759 HydrophobicContact CB-CG 4.09Å; K1756-E1759 WeakPolarHBondContact CB-OE2 3.13Å; K1756-E1759 WeakPolarHBondContact CD-OE1 3.32Å; K1756-E1759 WeakPolarHBondContact CG-OE2 3.08Å; K1756-E1759 IonicContact NZ-OE1 2.69Å; K1756-E1759 PolarHBondContact O-N 3.19Å |
| 1757 | A | 69.5 | Low | 78.3 | Confident | 44 Ų | 44 | 77 Ų | 77 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -26 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | L739 Y1713 | L739-A1757 VanDerWaalsContact CD2-O 3.22Å; L739-A1757 WeakPolarHBondContact CD2-O 3.17Å; Y1713-A1757 HydrophobicContact CE2-CB 4.1Å; Y1713-A1757 WeakPolarHBondContact OH-CB 3.3Å |
| 1758 | A | 53.2 | Low | 78.7 | Confident | 100 Ų | 100 | 71 Ų | 71 | 83% | 0.826 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -12.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | K1756 | K1756-A1758 PolarHBondContact O-N 2.97Š|
| 1759 | E | 52.4 | Low | 79.2 | Confident | 131 Ų | 131 | 66 Ų | 66 | 61% | 0.612 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -96 | -0.9 | -172.6 | -69.2 | 171.4 | 167.4 | 0 | 0 | 113.1 | K1756 | K1756-E1759 HydrophobicContact CB-CB 4.46Å; K1756-E1759 HydrophobicContact CB-CG 4.09Å; K1756-E1759 WeakPolarHBondContact CB-OE2 3.13Å; K1756-E1759 WeakPolarHBondContact CD-OE1 3.32Å; K1756-E1759 WeakPolarHBondContact CG-OE2 3.08Å; K1756-E1759 IonicContact NZ-OE1 2.69Å; K1756-E1759 PolarHBondContact O-N 3.19Å |
| 1760 | G | 58.9 | Low | 79.8 | Confident | 26 Ų | 26 | 58.6 Ų | 58.6 | 27% | 0.268 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 151.2 | 178.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1762 | G1760-V1762 PolarHBondContact O-N 3.47Š|
| 1761 | P | 70.8 | Confident | 80.6 | Confident | 31 Ų | 31 | 54 Ų | 54 | 20% | 0.201 | 32% | 0.322 | C | S | . | . | | | trans | -70.2 | 93 | 178.8 | 30.6 | -36.9 | 0 | 0 | 0 | 110.6 | I740 L1763 N1764 | I740-P1761 HydrophobicContact CD1-CB 4.09Å; I740-P1761 HydrophobicContact CD1-CG 3.87Å; I740-P1761 HydrophobicContact CG1-CB 3.81Å; I740-P1761 HydrophobicContact CG1-CG 3.75Å; P1761-L1763 PolarHBondContact O-N 3.07Å; P1761-L1763 VanDerWaalsContact O-N 3.1Å; P1761-N1764 HydrophobicContact CG-CB 4.28Å; P1761-N1764 WeakPolarHBondContact O-CB 3.31Å; P1761-N1764 PolarHBondContact O-N 3.04Å |
| 1762 | V | 83.1 | Confident | 81.4 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -51.1 | -34.6 | 172.1 | -179.1 | 0 | 0 | 0 | 0 | 111.2 | F1711 Y1713 M1755 G1760 N1764 N1765 V1766 | F1711-V1762 HydrophobicContact CE1-CG1 4.27Å; F1711-V1762 HydrophobicContact CZ-CG1 3.91Å; Y1713-V1762 HydrophobicContact CE1-CG1 4.29Å; Y1713-V1762 WeakPolarHBondContact OH-CG2 3.39Å; M1755-V1762 HydrophobicContact CB-CG1 4.23Å; M1755-V1762 HydrophobicContact CB-CG2 3.92Å; M1755-V1762 HydrophobicContact CE-CG1 4.11Å; M1755-V1762 HydrophobicContact SD-CB 4.37Å; M1755-V1762 HydrophobicContact SD-CG1 3.87Å; G1760-V1762 PolarHBondContact O-N 3.47Å; V1762-N1764 PolarHBondContact O-N 3.1Å; V1762-N1764 VanDerWaalsContact O-N 3.11Å; V1762-N1765 PolarHBondContact O-N 3.41Å; V1762-V1766 PolarHBondContact O-N 2.93Å |
| 1763 | L | 83.8 | Confident | 82.1 | Confident | 47 Ų | 47 | 46 Ų | 46 | 25% | 0.246 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -49.5 | -27.2 | 170 | -92.1 | 156.6 | 0 | 0 | 0 | 115.6 | V1685 F1711 P1761 K1768 | V1685-L1763 HydrophobicContact CG1-CD2 3.73Å; F1711-L1763 HydrophobicContact CB-CD2 3.74Å; F1711-L1763 HydrophobicContact CB-CG 4.13Å; F1711-L1763 HydrophobicContact CD1-CG 4.44Å; F1711-L1763 HydrophobicContact CG-CD2 4.35Å; F1711-L1763 HydrophobicContact CG-CG 4.35Å; P1761-L1763 PolarHBondContact O-N 3.07Å; P1761-L1763 VanDerWaalsContact O-N 3.1Å; L1763-K1768 PolarHBondContact O-NZ 3.5Å |
| 1764 | N | 84.4 | Confident | 82.6 | Confident | 54 Ų | 54 | 46.6 Ų | 46.6 | 29% | 0.289 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -75.8 | -37.6 | 177.3 | -74.9 | 22.3 | 0 | 0 | 0 | 111.7 | E1669 A1739 P1761 V1762 V1766 | E1669-N1764 HydrophobicContact CG-CB 4.17Å; E1669-N1764 VanDerWaalsContact CG-O 3.23Å; E1669-N1764 WeakPolarHBondContact CG-O 3.23Å; A1739-N1764 WeakPolarHBondContact CB-O 2.93Å; P1761-N1764 HydrophobicContact CG-CB 4.28Å; P1761-N1764 WeakPolarHBondContact O-CB 3.31Å; P1761-N1764 PolarHBondContact O-N 3.04Å; V1762-N1764 PolarHBondContact O-N 3.1Å; V1762-N1764 VanDerWaalsContact O-N 3.11Å; N1764-V1766 PolarHBondContact O-N 2.79Å |
| 1765 | N | 87.3 | Confident | 82.8 | Confident | 53 Ų | 53 | 45.1 Ų | 45.1 | 28% | 0.283 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -77.5 | -0.8 | 175.7 | -68.8 | -69.5 | 0 | 0 | 0 | 113 | R1738 A1739 F1753 M1755 V1762 | R1738-N1765 CarbonylContact C-O 3.52Å; R1738-N1765 WeakPolarHBondContact CA-O 3.28Å; A1739-N1765 PolarHBondContact N-O 2.98Å; F1753-N1765 HydrophobicContact CZ-CB 4.45Å; F1753-N1765 WeakPolarHBondContact CZ-OD1 3.42Å; M1755-N1765 HydrophobicContact CE-CB 3.87Å; M1755-N1765 HydrophobicContact SD-CB 3.41Å; M1755-N1765 WeakPolarHBondContact SD-CB 3.44Å; M1755-N1765 PolarHBondContact SD-ND2 2.64Å; M1755-N1765 VanDerWaalsContact SD-ND2 3.4Å; V1762-N1765 PolarHBondContact O-N 3.41Å |
| 1766 | V | 90 | Very high | 82.7 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 5% | 0.048 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -102.4 | 126.4 | 175.2 | 173.8 | 0 | 0 | 0 | 0 | 110.1 | V1685 F1711 Y1736 V1762 N1764 K1768 | V1685-V1766 HydrophobicContact CB-CG1 3.75Å; V1685-V1766 HydrophobicContact CG1-CG1 3.71Å; F1711-V1766 HydrophobicContact CD2-CG2 4.2Å; F1711-V1766 HydrophobicContact CE2-CG2 3.88Å; Y1736-V1766 HydrophobicContact CD1-CG1 4.25Å; Y1736-V1766 HydrophobicContact CG-CG1 4.21Å; V1762-V1766 PolarHBondContact O-N 2.93Å; N1764-V1766 PolarHBondContact O-N 2.79Å; V1766-K1768 PolarHBondContact O-N 3.28Å |
| 1767 | S | 93.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 129.5 | 175.6 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | Q1667 S1686 L1737 | Q1667-S1767 WeakPolarHBondContact CA-OG 3.47Å; Q1667-S1767 PolarHBondContact N-OG 2.83Å; S1686-S1767 VanDerWaalsContact CB-O 3.28Å; S1686-S1767 WeakPolarHBondContact CB-O 3.21Å; S1686-S1767 PolarHBondContact N-O 2.77Å; S1686-S1767 VanDerWaalsContact OG-C 3.29Å; S1686-S1767 WeakPolarHBondContact OG-CB 3.49Å; S1686-S1767 PolarHBondContact OG-O 3.05Å; S1686-S1767 PolarHBondContact OG-OG 3.22Å; L1737-S1767 WeakPolarHBondContact O-CB 3.31Å; L1737-S1767 PolarHBondContact O-N 3.16Å |
| 1768 | K | 94.1 | Very high | 82.8 | Confident | 41 Ų | 41 | 49.9 Ų | 49.9 | 18% | 0.178 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 159.1 | 171 | -52 | -48.8 | -171.4 | -171.5 | 0 | 110.7 | S1666 E1669 L1671 G1684 S1686 L1763 V1766 | S1666-K1768 PolarHBondContact N-O 2.86Å; S1666-K1768 PolarHBondContact OG-N 3.34Å; S1666-K1768 PolarHBondContact OG-O 3.22Å; S1666-K1768 VanDerWaalsContact OG-O 3.06Å; E1669-K1768 WeakPolarHBondContact O-CG 3.26Å; L1671-K1768 HydrophobicContact CB-CB 3.97Å; L1671-K1768 HydrophobicContact CD1-CB 3.93Å; L1671-K1768 HydrophobicContact CD2-CB 4.36Å; L1671-K1768 HydrophobicContact CG-CB 4.3Å; G1684-K1768 CarbonylContact O-C 3.47Å; G1684-K1768 WeakPolarHBondContact O-CA 3.16Å; S1686-K1768 PolarHBondContact OG-O 3.35Å; S1686-K1768 VanDerWaalsContact OG-O 3.13Å; L1763-K1768 PolarHBondContact O-NZ 3.5Å; V1766-K1768 PolarHBondContact O-N 3.28Å |
| 1769 | C | 96 | Very high | 84.3 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 158.4 | 174.8 | 64.1 | 0 | 0 | 0 | 0 | 111.5 | F1664 H1665 L1671 T1683 G1684 V1685 C1707 | F1664-C1769 CarbonylContact O-C 3.48Å; F1664-C1769 WeakPolarHBondContact O-CA 3.44Å; H1665-C1769 WeakPolarHBondContact ND1-CB 3.47Å; L1671-C1769 WeakPolarHBondContact CD2-O 3.43Å; T1683-C1769 CarbonylContact C-O 3.56Å; T1683-C1769 WeakPolarHBondContact CA-O 3.4Å; G1684-C1769 PolarHBondContact N-O 2.89Å; G1684-C1769 PolarHBondContact O-N 3.19Å; G1684-C1769 PolarHBondContact O-SG 3.37Å; V1685-C1769 PolarHBondContact N-SG 3.1Å; V1685-C1769 PolarHBondContact O-SG 2.97Å; V1685-C1769 VanDerWaalsContact O-SG 3.36Å; C1707-C1769 WeakPolarHBondContact CA-SG 3.36Å; C1707-C1769 HydrophobicContact CB-CB 3.83Å; C1707-C1769 WeakPolarHBondContact CB-SG 3.08Å; C1707-C1769 WeakPolarHBondContact SG-CB 3.26Å; C1707-C1769 CovalentContact SG-SG 2.03Å; C1707-C1769 PolarHBondContact SG-SG 3.36Å |
| 1770 | R | 96.6 | Very high | 86.1 | Confident | 38 Ų | 38 | 42.6 Ų | 42.6 | 14% | 0.143 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 131.1 | 174.1 | -164.1 | 171.7 | -56 | -137.6 | 4 | 108.7 | F1664 L1671 Q1672 C1674 E1680 T1683 | F1664-R1770 PolarHBondContact N-O 2.86Å; F1664-R1770 PolarHBondContact O-N 2.93Å; L1671-R1770 HydrophobicContact CD1-CB 4.08Å; L1671-R1770 HydrophobicContact CD2-CB 4.05Å; L1671-R1770 HydrophobicContact CG-CB 4.26Å; L1671-R1770 PolarHBondContact O-NH2 3.47Å; Q1672-R1770 VanDerWaalsContact O-CZ 3.24Å; Q1672-R1770 PolarHBondContact O-NE 3.23Å; Q1672-R1770 PolarHBondContact O-NH2 2.69Å; Q1672-R1770 VanDerWaalsContact O-NH2 3.11Å; C1674-R1770 WeakPolarHBondContact SG-CD 3.27Å; E1680-R1770 HydrophobicContact CG-CG 3.91Å; E1680-R1770 IonicContact OE1-NH1 3.2Å; E1680-R1770 WeakPolarHBondContact OE2-CD 3.42Å; E1680-R1770 IonicContact OE2-CZ 3.97Å; E1680-R1770 IonicContact OE2-NE 3.22Å; E1680-R1770 IonicContact OE2-NH1 3.8Å; E1680-R1770 PolarHBondContact OE2-NH1 2.72Å; T1683-R1770 HydrophobicContact CG2-CG 4.02Å |
| 1771 | V | 97.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 125.5 | 169.7 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | V1661 F1662 A1663 L1681 W1682 P1704 C1707 | V1661-V1771 HydrophobicContact CG1-CG1 3.31Å; F1662-V1771 WeakPolarHBondContact O-CA 3.39Å; A1663-V1771 HydrophobicContact CB-CG2 4.32Å; L1681-V1771 HydrophobicContact CB-CG1 4.41Å; L1681-V1771 HydrophobicContact CD1-CG1 4.35Å; L1681-V1771 PolarHBondContact N-O 3.12Å; W1682-V1771 HydrophobicContact CD2-CB 3.79Å; W1682-V1771 HydrophobicContact CD2-CG1 4.35Å; W1682-V1771 HydrophobicContact CD2-CG2 3.98Å; W1682-V1771 VanDerWaalsContact CE2-CG2 3.41Å; W1682-V1771 HydrophobicContact CE3-CB 4.04Å; W1682-V1771 HydrophobicContact CE3-CG1 4.15Å; W1682-V1771 HydrophobicContact CG-CB 4.32Å; W1682-V1771 HydrophobicContact CG-CG2 4.45Å; W1682-V1771 HydrophobicContact CH2-CB 4.23Å; W1682-V1771 HydrophobicContact CH2-CG1 3.83Å; W1682-V1771 HydrophobicContact CH2-CG2 4.24Å; W1682-V1771 HydrophobicContact CZ2-CB 4.01Å; W1682-V1771 HydrophobicContact CZ2-CG1 4.05Å; W1682-V1771 HydrophobicContact CZ2-CG2 3.59Å; W1682-V1771 HydrophobicContact CZ3-CB 4.22Å; W1682-V1771 HydrophobicContact CZ3-CG1 3.85Å; W1682-V1771 PolarHBondContact O-N 2.66Å; P1704-V1771 HydrophobicContact CB-CG1 4.1Å; P1704-V1771 HydrophobicContact CB-CG2 4.32Å; P1704-V1771 HydrophobicContact CG-CG1 4.22Å; C1707-V1771 HydrophobicContact CB-CG2 3.49Å; C1707-V1771 VanDerWaalsContact CB-CG2 3.49Å |
| 1772 | C | 96.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 137.2 | -175.2 | -55.7 | 0 | 0 | 0 | 0 | 110 | V1661 F1662 F1664 C1674 W1678 T1679 | V1661-C1772 WeakPolarHBondContact CA-O 3.42Å; F1662-C1772 PolarHBondContact N-O 2.76Å; F1662-C1772 PolarHBondContact O-N 3.12Å; F1664-C1772 HydrophobicContact CD2-CB 3.96Å; F1664-C1772 HydrophobicContact CE2-CB 3.85Å; C1674-C1772 VanDerWaalsContact CA-SG 3.52Å; C1674-C1772 HydrophobicContact CB-CB 3.85Å; C1674-C1772 WeakPolarHBondContact CB-SG 3.3Å; C1674-C1772 WeakPolarHBondContact SG-CB 3.27Å; C1674-C1772 CovalentContact SG-SG 2.04Å; C1674-C1772 PolarHBondContact SG-SG 3.44Å; W1678-C1772 HydrophobicContact CB-CB 4.14Å; W1678-C1772 HydrophobicContact CE3-CB 3.97Å; T1679-C1772 CarbonylContact O-C 3.51Å; T1679-C1772 VanDerWaalsContact O-CA 3.24Å; T1679-C1772 WeakPolarHBondContact O-CA 3.09Å |
| 1773 | M | 95.2 | Very high | 89.1 | Confident | 7 Ų | 7 | 46.5 Ų | 46.5 | 3% | 0.034 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 134.4 | 170.7 | 179.8 | 174.7 | 67.5 | 0 | 0 | 110 | T1570 A1657 P1658 A1659 H1660 V1661 W1678 T1679 L1681 I1775 | T1570-M1773 HydrophobicContact CG2-CE 4.13Å; T1570-M1773 HydrophobicContact CG2-SD 3.72Å; A1657-M1773 HydrophobicContact CB-SD 3.76Å; P1658-M1773 HydrophobicContact CG-CE 4.38Å; P1658-M1773 HydrophobicContact CG-SD 4.2Å; A1659-M1773 HydrophobicContact CB-CG 4.35Å; H1660-M1773 WeakPolarHBondContact O-CA 3.15Å; V1661-M1773 HydrophobicContact CG2-CB 4.11Å; V1661-M1773 HydrophobicContact CG2-CG 4.05Å; V1661-M1773 HydrophobicContact CG2-SD 4.39Å; W1678-M1773 CarbonylContact C-O 3.55Å; W1678-M1773 VanDerWaalsContact CA-O 3.25Å; W1678-M1773 WeakPolarHBondContact CA-O 3.18Å; T1679-M1773 HydrophobicContact CG2-CB 4.03Å; T1679-M1773 HydrophobicContact CG2-CE 3.82Å; T1679-M1773 PolarHBondContact N-O 2.64Å; T1679-M1773 PolarHBondContact O-N 2.99Å; L1681-M1773 HydrophobicContact CD1-CB 4.09Å; L1681-M1773 HydrophobicContact CD2-CB 3.79Å; L1681-M1773 HydrophobicContact CD2-CE 4.22Å; L1681-M1773 HydrophobicContact CG-CB 3.99Å; M1773-I1775 PolarHBondContact O-N 2.69Å |
| 1774 | K | 91.9 | Very high | 89.5 | Confident | 108 Ų | 108 | 46.4 Ų | 46.4 | 47% | 0.47 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 130.8 | 176.4 | -171.4 | 176.3 | 177.5 | -179.5 | 0 | 109.3 | A1659 H1660 W1678 P1776 | A1659-K1774 HydrophobicContact CB-CB 4.21Å; A1659-K1774 WeakPolarHBondContact CB-O 3.49Å; H1660-K1774 PolarHBondContact O-N 2.64Å; W1678-K1774 HydrophobicContact CD2-CB 3.88Å; W1678-K1774 HydrophobicContact CD2-CG 4.35Å; W1678-K1774 HydrophobicContact CE3-CB 3.84Å; W1678-K1774 HydrophobicContact CH2-CB 3.86Å; W1678-K1774 HydrophobicContact CZ2-CB 3.93Å; W1678-K1774 HydrophobicContact CZ2-CD 4.13Å; W1678-K1774 HydrophobicContact CZ2-CG 4.14Å; W1678-K1774 HydrophobicContact CZ3-CB 3.82Å; K1774-P1776 WeakPolarHBondContact O-CD 3.35Å |
| 1775 | I | 87.5 | Confident | 89.9 | Confident | 90 Ų | 90 | 45.8 Ų | 45.8 | 46% | 0.462 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 125.9 | 177.9 | -60.1 | 170.2 | 0 | 0 | 0 | 108 | T1677 M1773 | T1677-I1775 WeakPolarHBondContact O-CB 3.42Å; T1677-I1775 PolarHBondContact O-N 2.74Å; M1773-I1775 PolarHBondContact O-N 2.69Å |
| 1776 | P | 76.6 | Confident | 90.1 | Very high | 74 Ų | 74 | 45.3 Ų | 45.3 | 48% | 0.481 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -59 | 139.5 | 172.4 | -23.5 | 34.5 | 0 | 0 | 0 | 111.4 | P1658 A1659 K1774 | P1658-P1776 HydrophobicContact CB-CG 4Å; P1658-P1776 HydrophobicContact CG-CG 3.97Å; A1659-P1776 HydrophobicContact CB-CG 4.38Å; K1774-P1776 WeakPolarHBondContact O-CD 3.35Å |
| 1777 | A | 65.8 | Low | 90.1 | Very high | 177 Ų | 177 | 48.6 Ų | 48.6 | 100% | 1.463 | 29% | 0.294 | S | S | * | . | | | trans | -89.3 | 0 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |