| 1 | M | 62.9 | Low | 75.9 | Confident | 207 Ų | 207 | 139.5 Ų | 139.5 | 100% | 1.02 | 68% | 0.677 | S | S | * | * | | | | 0 | -64.4 | 0 | -77.5 | -171.9 | 173.8 | 0 | 0 | 115.2 | V3 V4 R5 | M1-V3 VanDerWaalsContact C-N 3.32Å; M1-V3 PolarHBondContact O-N 3Å; M1-V3 VanDerWaalsContact O-N 3.14Å; M1-V4 WeakPolarHBondContact O-CB 3.35Å; M1-V4 PolarHBondContact O-N 2.82Å; M1-R5 PolarHBondContact O-N 2.72Å |
| 2 | R | 70.2 | Confident | 77.2 | Confident | 225 Ų | 225 | 132.2 Ų | 132.2 | 85% | 0.849 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -51.1 | -41.8 | -170.6 | -71 | -175.7 | -177.9 | 171.2 | 0.6 | 115 | V4 R5 R6 | R2-V4 PolarHBondContact O-N 2.75Å; R2-R5 PolarHBondContact O-N 2.88Å; R2-R6 PolarHBondContact O-N 3.49Å; R2-R6 VanDerWaalsContact O-N 3.16Å |
| 3 | V | 73.4 | Confident | 78.1 | Confident | 103 Ų | 103 | 128.9 Ų | 128.9 | 62% | 0.624 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -62.1 | -40.5 | 176.4 | -178.4 | 0 | 0 | 0 | 0 | 112.3 | M1 R6 R7 | M1-V3 VanDerWaalsContact C-N 3.32Å; M1-V3 PolarHBondContact O-N 3Å; M1-V3 VanDerWaalsContact O-N 3.14Å; V3-R6 PolarHBondContact O-N 3.1Å; V3-R7 PolarHBondContact O-N 3.13Å |
| 4 | V | 73.4 | Confident | 78.9 | Confident | 101 Ų | 101 | 135.1 Ų | 135.1 | 61% | 0.612 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -65.3 | -41.6 | 178 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | M1 R2 R6 R7 A8 | M1-V4 WeakPolarHBondContact O-CB 3.35Å; M1-V4 PolarHBondContact O-N 2.82Å; R2-V4 PolarHBondContact O-N 2.75Å; V4-R6 PolarHBondContact O-N 3.32Å; V4-R7 PolarHBondContact O-N 3.38Å; V4-A8 VanDerWaalsContact O-CB 3.3Å; V4-A8 WeakPolarHBondContact O-CB 3.44Å; V4-A8 PolarHBondContact O-N 3.35Å |
| 5 | R | 75.4 | Confident | 79.7 | Confident | 204 Ų | 204 | 132.7 Ų | 132.7 | 77% | 0.77 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -59.5 | -44 | 173 | -81.8 | -168.8 | 177.2 | 180 | -0.4 | 112.1 | M1 R2 R7 A8 T9 | M1-R5 PolarHBondContact O-N 2.72Å; R2-R5 PolarHBondContact O-N 2.88Å; R5-R7 PolarHBondContact O-N 3.43Å; R5-A8 PolarHBondContact O-N 2.88Å; R5-T9 PolarHBondContact O-N 3.26Å; R5-T9 PolarHBondContact O-OG1 3.18Å |
| 6 | R | 79.6 | Confident | 80.4 | Confident | 202 Ų | 202 | 129.5 Ų | 129.5 | 76% | 0.762 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.6 | -36.2 | 177.9 | -73.4 | -173.3 | 174.4 | -176.8 | -1.3 | 113.3 | R2 V3 V4 T9 A10 | R2-R6 PolarHBondContact O-N 3.49Å; R2-R6 VanDerWaalsContact O-N 3.16Å; V3-R6 PolarHBondContact O-N 3.1Å; V4-R6 PolarHBondContact O-N 3.32Å; R6-T9 WeakPolarHBondContact CA-OG1 3.38Å; R6-T9 PolarHBondContact O-OG1 3.44Å; R6-A10 PolarHBondContact O-N 2.72Å |
| 7 | R | 74.1 | Confident | 81.1 | Confident | 175 Ų | 175 | 128.8 Ų | 128.8 | 66% | 0.66 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.1 | -42.9 | 172.4 | -72 | -172.3 | 175.5 | -174.4 | -1.8 | 111.7 | V3 V4 R5 T9 A10 M11 | V3-R7 PolarHBondContact O-N 3.13Å; V4-R7 PolarHBondContact O-N 3.38Å; R5-R7 PolarHBondContact O-N 3.43Å; R7-T9 VanDerWaalsContact C-N 3.3Å; R7-T9 PolarHBondContact O-N 3.44Å; R7-A10 PolarHBondContact O-N 2.69Å; R7-A10 VanDerWaalsContact O-N 3.08Å; R7-M11 WeakPolarHBondContact O-CG 3.4Å; R7-M11 PolarHBondContact O-N 2.97Å |
| 8 | A | 73.3 | Confident | 81.8 | Confident | 46 Ų | 46 | 128.9 Ų | 128.9 | 38% | 0.38 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -63 | -31.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V4 R5 K16 | V4-A8 VanDerWaalsContact O-CB 3.3Å; V4-A8 WeakPolarHBondContact O-CB 3.44Å; V4-A8 PolarHBondContact O-N 3.35Å; R5-A8 PolarHBondContact O-N 2.88Å; A8-K16 WeakPolarHBondContact O-CE 3.47Å; A8-K16 PolarHBondContact O-NZ 2.79Å |
| 9 | T | 78.4 | Confident | 82.3 | Confident | 110 Ų | 110 | 124.2 Ų | 124.2 | 68% | 0.675 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.3 | -40.4 | 171.3 | 43.4 | 0 | 0 | 0 | 0 | 112.3 | R5 R6 R7 K16 | R5-T9 PolarHBondContact O-N 3.26Å; R5-T9 PolarHBondContact O-OG1 3.18Å; R6-T9 WeakPolarHBondContact CA-OG1 3.38Å; R6-T9 PolarHBondContact O-OG1 3.44Å; R7-T9 VanDerWaalsContact C-N 3.3Å; R7-T9 PolarHBondContact O-N 3.44Å; T9-K16 PolarHBondContact O-NZ 2.95Å |
| 10 | A | 85.3 | Confident | 82.8 | Confident | 88 Ų | 88 | 123.8 Ų | 123.8 | 73% | 0.727 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -77.6 | -20.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R6 R7 | R6-A10 PolarHBondContact O-N 2.72Å; R7-A10 PolarHBondContact O-N 2.69Å; R7-A10 VanDerWaalsContact O-N 3.08Å |
| 11 | M | 88.6 | Confident | 83.4 | Confident | 74 Ų | 74 | 124 Ų | 124 | 37% | 0.365 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -63.1 | 141.5 | -180 | -83.3 | 167.8 | 151 | 0 | 0 | 113.3 | R7 E15 K16 | R7-M11 WeakPolarHBondContact O-CG 3.4Å; R7-M11 PolarHBondContact O-N 2.97Å; M11-E15 VanDerWaalsContact CA-OE2 3.28Å; M11-E15 WeakPolarHBondContact CA-OE2 3.42Å; M11-E15 HydrophobicContact CB-CB 4.11Å; M11-E15 HydrophobicContact CG-CB 4.22Å; M11-K16 HydrophobicContact CB-CG 3.98Å; M11-K16 WeakPolarHBondContact O-CE 3.45Å; M11-K16 PolarHBondContact O-NZ 3.19Å |
| 12 | S | 91.4 | Very high | 84.9 | Confident | 51 Ų | 51 | 118 Ų | 118 | 36% | 0.357 | 59% | 0.585 | S | S | . | * | | | trans | -59.1 | 150.7 | 169.4 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | R14 E15 K16 | S12-R14 PolarHBondContact O-N 2.91Å; S12-R14 PolarHBondContact OG-N 2.86Å; S12-E15 PolarHBondContact N-OE2 2.83Å; S12-E15 WeakPolarHBondContact O-CB 3.29Å; S12-E15 PolarHBondContact O-N 2.83Å; S12-K16 PolarHBondContact O-N 3.49Å |
| 13 | P | 89 | Confident | 86.1 | Confident | 90 Ų | 90 | 111.7 Ų | 111.7 | 58% | 0.584 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -50.8 | -39.9 | 171.5 | -28 | 36 | 0 | 0 | 0 | 113.1 | E15 K16 H17 | P13-E15 PolarHBondContact O-N 3.42Å; P13-K16 WeakPolarHBondContact O-CB 3.36Å; P13-K16 PolarHBondContact O-N 3.21Å; P13-H17 PolarHBondContact O-CD2 2.84Å; P13-H17 PolarHBondContact O-N 2.98Å |
| 14 | R | 89.6 | Confident | 87.2 | Confident | 216 Ų | 216 | 111 Ų | 111 | 82% | 0.815 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.2 | -37.9 | 177.6 | -68.3 | -178 | 176 | 171.7 | -1.2 | 112.4 | S12 H17 L18 | S12-R14 PolarHBondContact O-N 2.91Å; S12-R14 PolarHBondContact OG-N 2.86Å; R14-H17 PolarHBondContact O-N 3.19Å; R14-L18 PolarHBondContact O-N 3.07Å |
| 15 | E | 90.6 | Very high | 88.3 | Confident | 99 Ų | 99 | 109.9 Ų | 109.9 | 46% | 0.463 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.5 | -36.8 | 175.5 | -65 | 168.5 | 163.7 | 0 | 0 | 111.8 | M11 S12 P13 L18 A19 | M11-E15 VanDerWaalsContact CA-OE2 3.28Å; M11-E15 WeakPolarHBondContact CA-OE2 3.42Å; M11-E15 HydrophobicContact CB-CB 4.11Å; M11-E15 HydrophobicContact CG-CB 4.22Å; S12-E15 PolarHBondContact N-OE2 2.83Å; S12-E15 WeakPolarHBondContact O-CB 3.29Å; S12-E15 PolarHBondContact O-N 2.83Å; P13-E15 PolarHBondContact O-N 3.42Å; E15-L18 PolarHBondContact O-N 3.46Å; E15-A19 VanDerWaalsContact O-CB 3.29Å; E15-A19 WeakPolarHBondContact O-CB 3.12Å; E15-A19 PolarHBondContact O-N 3.3Å |
| 16 | K | 90.8 | Very high | 89.2 | Confident | 81 Ų | 81 | 105.4 Ų | 105.4 | 35% | 0.352 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -60.8 | -45.6 | 172.9 | -74.1 | 158.5 | 172 | 151.3 | 0 | 111 | A8 T9 M11 S12 P13 A19 L20 | A8-K16 WeakPolarHBondContact O-CE 3.47Å; A8-K16 PolarHBondContact O-NZ 2.79Å; T9-K16 PolarHBondContact O-NZ 2.95Å; M11-K16 HydrophobicContact CB-CG 3.98Å; M11-K16 WeakPolarHBondContact O-CE 3.45Å; M11-K16 PolarHBondContact O-NZ 3.19Å; S12-K16 PolarHBondContact O-N 3.49Å; P13-K16 WeakPolarHBondContact O-CB 3.36Å; P13-K16 PolarHBondContact O-N 3.21Å; K16-A19 PolarHBondContact O-N 2.74Å; K16-L20 WeakPolarHBondContact O-CB 3.37Å; K16-L20 VanDerWaalsContact O-CG 3.28Å; K16-L20 WeakPolarHBondContact O-CG 3.28Å; K16-L20 PolarHBondContact O-N 3.17Å |
| 17 | H | 92.4 | Very high | 90 | Very high | 118 Ų | 118 | 98.6 Ų | 98.6 | 55% | 0.546 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 172.9 | -72.2 | -67.5 | 0 | 0 | 0 | 112.1 | P13 R14 A19 L20 F21 | P13-H17 PolarHBondContact O-CD2 2.84Å; P13-H17 PolarHBondContact O-N 2.98Å; R14-H17 PolarHBondContact O-N 3.19Å; H17-A19 VanDerWaalsContact C-N 3.33Å; H17-A19 PolarHBondContact O-N 2.82Å; H17-L20 PolarHBondContact O-N 3.42Å; H17-F21 WeakPolarHBondContact O-CD2 3.37Å; H17-F21 PolarHBondContact O-N 3.2Å |
| 18 | L | 93.4 | Very high | 91 | Very high | 130 Ų | 130 | 95.1 Ų | 95.1 | 68% | 0.681 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.4 | -36.8 | -179.8 | -151.4 | 74.6 | 0 | 0 | 0 | 112.5 | R14 E15 S22 | R14-L18 PolarHBondContact O-N 3.07Å; E15-L18 PolarHBondContact O-N 3.46Å; L18-S22 WeakPolarHBondContact O-CB 3.33Å; L18-S22 PolarHBondContact O-N 2.82Å |
| 19 | A | 91.9 | Very high | 92 | Very high | 40 Ų | 40 | 97.4 Ų | 97.4 | 33% | 0.331 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.6 | -40.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E15 K16 H17 S22 V23 | E15-A19 VanDerWaalsContact O-CB 3.29Å; E15-A19 WeakPolarHBondContact O-CB 3.12Å; E15-A19 PolarHBondContact O-N 3.3Å; K16-A19 PolarHBondContact O-N 2.74Å; H17-A19 VanDerWaalsContact C-N 3.33Å; H17-A19 PolarHBondContact O-N 2.82Å; A19-S22 PolarHBondContact O-N 3.45Å; A19-V23 WeakPolarHBondContact O-CG2 3.09Å; A19-V23 PolarHBondContact O-N 2.88Å |
| 20 | L | 93.1 | Very high | 92.8 | Very high | 116 Ų | 116 | 95.7 Ų | 95.7 | 61% | 0.607 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.7 | -42.3 | 174 | -73.7 | 168.7 | 0 | 0 | 0 | 111.8 | K16 H17 V23 L24 | K16-L20 WeakPolarHBondContact O-CB 3.37Å; K16-L20 VanDerWaalsContact O-CG 3.28Å; K16-L20 WeakPolarHBondContact O-CG 3.28Å; K16-L20 PolarHBondContact O-N 3.17Å; H17-L20 PolarHBondContact O-N 3.42Å; L20-V23 PolarHBondContact O-N 3.23Å; L20-L24 WeakPolarHBondContact O-CB 3.29Å; L20-L24 PolarHBondContact O-N 3.46Å |
| 21 | F | 94.9 | Very high | 93.3 | Very high | 129 Ų | 129 | 98 Ų | 98 | 57% | 0.566 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.3 | -41.6 | 172.1 | -88.3 | -70.7 | 0 | 0 | 0 | 112.1 | H17 V23 L24 C25 | H17-F21 WeakPolarHBondContact O-CD2 3.37Å; H17-F21 PolarHBondContact O-N 3.2Å; F21-V23 PolarHBondContact O-N 3.13Å; F21-L24 PolarHBondContact O-N 2.85Å; F21-C25 WeakPolarHBondContact O-CB 3.33Å; F21-C25 PolarHBondContact O-N 2.95Å; F21-C25 PolarHBondContact O-SG 3.2Å |
| 22 | S | 94.8 | Very high | 93.5 | Very high | 81 Ų | 81 | 101.9 Ų | 101.9 | 57% | 0.566 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.7 | -42.8 | 175.6 | 179.6 | 0 | 0 | 0 | 0 | 112.4 | L18 A19 L26 | L18-S22 WeakPolarHBondContact O-CB 3.33Å; L18-S22 PolarHBondContact O-N 2.82Å; A19-S22 PolarHBondContact O-N 3.45Å; S22-L26 WeakPolarHBondContact O-CB 3.4Å; S22-L26 PolarHBondContact O-N 2.95Å |
| 23 | V | 95.4 | Very high | 93.7 | Very high | 92 Ų | 92 | 105.9 Ų | 105.9 | 56% | 0.558 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.9 | -42.4 | 174.2 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | A19 L20 F21 L26 V27 | A19-V23 WeakPolarHBondContact O-CG2 3.09Å; A19-V23 PolarHBondContact O-N 2.88Å; L20-V23 PolarHBondContact O-N 3.23Å; F21-V23 PolarHBondContact O-N 3.13Å; V23-L26 PolarHBondContact O-N 2.74Å; V23-V27 HydrophobicContact CG1-CG2 4.43Å; V23-V27 WeakPolarHBondContact O-CG2 3.28Å; V23-V27 PolarHBondContact O-N 2.94Å |
| 24 | L | 96.3 | Very high | 93.9 | Very high | 88 Ų | 88 | 104.9 Ų | 104.9 | 46% | 0.461 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 177 | -179.3 | 61.6 | 0 | 0 | 0 | 111.5 | L20 F21 L26 V27 L28 | L20-L24 WeakPolarHBondContact O-CB 3.29Å; L20-L24 PolarHBondContact O-N 3.46Å; F21-L24 PolarHBondContact O-N 2.85Å; L24-L26 VanDerWaalsContact C-N 3.33Å; L24-L26 PolarHBondContact O-N 2.95Å; L24-V27 PolarHBondContact O-N 3.36Å; L24-L28 HydrophobicContact CD1-CD1 4.34Å; L24-L28 HydrophobicContact CD1-CG 4.37Å; L24-L28 HydrophobicContact CG-CD1 4.09Å; L24-L28 WeakPolarHBondContact O-CB 3.43Å; L24-L28 WeakPolarHBondContact O-CG 3.4Å; L24-L28 PolarHBondContact O-N 3.27Å |
| 25 | C | 95.1 | Very high | 94 | Very high | 77 Ų | 77 | 98.3 Ų | 98.3 | 52% | 0.52 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 174.9 | -70.8 | 0 | 0 | 0 | 0 | 112.1 | F21 L28 L29 | F21-C25 WeakPolarHBondContact O-CB 3.33Å; F21-C25 PolarHBondContact O-N 2.95Å; F21-C25 PolarHBondContact O-SG 3.2Å; C25-L28 PolarHBondContact O-N 3.33Å; C25-L29 VanDerWaalsContact O-CB 3.25Å; C25-L29 WeakPolarHBondContact O-CB 3.37Å; C25-L29 PolarHBondContact O-N 3.16Å |
| 26 | L | 95.3 | Very high | 94.1 | Very high | 111 Ų | 111 | 97.5 Ų | 97.5 | 58% | 0.581 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.5 | -40 | 175.7 | -171.2 | 151.5 | 0 | 0 | 0 | 111.8 | S22 V23 L24 L29 V30 | S22-L26 WeakPolarHBondContact O-CB 3.4Å; S22-L26 PolarHBondContact O-N 2.95Å; V23-L26 PolarHBondContact O-N 2.74Å; L24-L26 VanDerWaalsContact C-N 3.33Å; L24-L26 PolarHBondContact O-N 2.95Å; L26-L29 PolarHBondContact O-N 2.98Å; L26-V30 HydrophobicContact CD2-CG2 4.28Å; L26-V30 WeakPolarHBondContact O-CG2 3.49Å; L26-V30 PolarHBondContact O-N 3.44Å |
| 27 | V | 95.9 | Very high | 94.3 | Very high | 59 Ų | 59 | 100.5 Ų | 100.5 | 36% | 0.358 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 174.9 | 168 | 0 | 0 | 0 | 0 | 111.1 | V23 L24 L29 V30 F31 | V23-V27 HydrophobicContact CG1-CG2 4.43Å; V23-V27 WeakPolarHBondContact O-CG2 3.28Å; V23-V27 PolarHBondContact O-N 2.94Å; L24-V27 PolarHBondContact O-N 3.36Å; V27-L29 PolarHBondContact O-N 2.94Å; V27-V30 PolarHBondContact O-N 3.03Å; V27-F31 HydrophobicContact CG1-CD2 3.68Å; V27-F31 HydrophobicContact CG1-CE2 3.65Å; V27-F31 VanDerWaalsContact O-CD2 3.28Å; V27-F31 WeakPolarHBondContact O-CD2 3.07Å; V27-F31 PolarHBondContact O-N 2.74Å |
| 28 | L | 95.3 | Very high | 94.4 | Very high | 102 Ų | 102 | 101 Ų | 101 | 53% | 0.534 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 175.3 | -70.8 | 170.3 | 0 | 0 | 0 | 111.9 | L24 C25 V30 F31 Y32 | L24-L28 HydrophobicContact CD1-CD1 4.34Å; L24-L28 HydrophobicContact CD1-CG 4.37Å; L24-L28 HydrophobicContact CG-CD1 4.09Å; L24-L28 WeakPolarHBondContact O-CB 3.43Å; L24-L28 WeakPolarHBondContact O-CG 3.4Å; L24-L28 PolarHBondContact O-N 3.27Å; C25-L28 PolarHBondContact O-N 3.33Å; L28-V30 VanDerWaalsContact C-N 3.35Å; L28-V30 PolarHBondContact O-N 3.07Å; L28-F31 PolarHBondContact O-N 3.42Å; L28-Y32 WeakPolarHBondContact O-CB 3.47Å; L28-Y32 PolarHBondContact O-N 3.14Å |
| 29 | L | 95.3 | Very high | 94.5 | Very high | 94 Ų | 94 | 102.4 Ų | 102.4 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -41.6 | 175.7 | -168.4 | 70 | 0 | 0 | 0 | 111.6 | C25 L26 V27 Y32 Y33 | C25-L29 VanDerWaalsContact O-CB 3.25Å; C25-L29 WeakPolarHBondContact O-CB 3.37Å; C25-L29 PolarHBondContact O-N 3.16Å; L26-L29 PolarHBondContact O-N 2.98Å; V27-L29 PolarHBondContact O-N 2.94Å; L29-Y32 PolarHBondContact O-N 3.15Å; L29-Y33 HydrophobicContact CD1-CD2 4.16Å; L29-Y33 HydrophobicContact CD1-CE2 3.64Å; L29-Y33 HydrophobicContact CG-CD2 3.99Å; L29-Y33 HydrophobicContact CG-CE2 3.85Å; L29-Y33 VanDerWaalsContact O-CD2 3.26Å; L29-Y33 WeakPolarHBondContact O-CD2 3.39Å; L29-Y33 PolarHBondContact O-N 2.74Å |
| 30 | V | 95.1 | Very high | 94.7 | Very high | 73 Ų | 73 | 102.3 Ų | 102.3 | 44% | 0.442 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 174 | 167.5 | 0 | 0 | 0 | 0 | 111.1 | L26 V27 L28 Y32 Y33 I34 | L26-V30 HydrophobicContact CD2-CG2 4.28Å; L26-V30 WeakPolarHBondContact O-CG2 3.49Å; L26-V30 PolarHBondContact O-N 3.44Å; V27-V30 PolarHBondContact O-N 3.03Å; L28-V30 VanDerWaalsContact C-N 3.35Å; L28-V30 PolarHBondContact O-N 3.07Å; V30-Y32 VanDerWaalsContact C-N 3.27Å; V30-Y32 PolarHBondContact O-N 2.79Å; V30-Y33 PolarHBondContact O-N 3.11Å; V30-I34 HydrophobicContact CG1-CD1 3.65Å; V30-I34 HydrophobicContact CG1-CG1 4.28Å; V30-I34 VanDerWaalsContact O-CG1 3.26Å; V30-I34 WeakPolarHBondContact O-CG1 3.37Å; V30-I34 PolarHBondContact O-N 2.86Å |
| 31 | F | 94.3 | Very high | 94.8 | Very high | 136 Ų | 136 | 99.4 Ų | 99.4 | 60% | 0.596 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.8 | -27.8 | 176 | -82.5 | -64.4 | 0 | 0 | 0 | 113.6 | V27 L28 I34 P35 | V27-F31 HydrophobicContact CG1-CD2 3.68Å; V27-F31 HydrophobicContact CG1-CE2 3.65Å; V27-F31 VanDerWaalsContact O-CD2 3.28Å; V27-F31 WeakPolarHBondContact O-CD2 3.07Å; V27-F31 PolarHBondContact O-N 2.74Å; L28-F31 PolarHBondContact O-N 3.42Å; F31-I34 HydrophobicContact CD1-CD1 4.49Å; F31-P35 WeakPolarHBondContact O-CD 3.23Å |
| 32 | Y | 94.5 | Very high | 94.8 | Very high | 156 Ų | 156 | 98.3 Ų | 98.3 | 61% | 0.612 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -72.4 | -42 | 173 | -177.9 | -101.2 | 0 | 0 | 0 | 112.3 | L28 L29 V30 I36 | L28-Y32 WeakPolarHBondContact O-CB 3.47Å; L28-Y32 PolarHBondContact O-N 3.14Å; L29-Y32 PolarHBondContact O-N 3.15Å; V30-Y32 VanDerWaalsContact C-N 3.27Å; V30-Y32 PolarHBondContact O-N 2.79Å; Y32-I36 HydrophobicContact CD1-CD1 3.86Å; Y32-I36 HydrophobicContact CE1-CD1 3.47Å; Y32-I36 VanDerWaalsContact CE1-CD1 3.47Å; Y32-I36 WeakPolarHBondContact O-CD1 3.36Å |
| 33 | Y | 93.8 | Very high | 94.9 | Very high | 135 Ų | 135 | 98.3 Ų | 98.3 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -78.3 | -22.9 | 179.4 | -78.2 | -61.5 | 0 | 0 | 0 | 114.7 | L29 V30 I36 F37 | L29-Y33 HydrophobicContact CD1-CD2 4.16Å; L29-Y33 HydrophobicContact CD1-CE2 3.64Å; L29-Y33 HydrophobicContact CG-CD2 3.99Å; L29-Y33 HydrophobicContact CG-CE2 3.85Å; L29-Y33 VanDerWaalsContact O-CD2 3.26Å; L29-Y33 WeakPolarHBondContact O-CD2 3.39Å; L29-Y33 PolarHBondContact O-N 2.74Å; V30-Y33 PolarHBondContact O-N 3.11Å; Y33-I36 HydrophobicContact CD1-CD1 4.17Å; Y33-I36 HydrophobicContact CE1-CD1 4.5Å; Y33-I36 PolarHBondContact O-N 3.41Å; Y33-F37 WeakPolarHBondContact O-CB 3.25Å; Y33-F37 PolarHBondContact O-N 2.87Å |
| 34 | I | 93.6 | Very high | 94.9 | Very high | 70 Ų | 70 | 99.3 Ų | 99.3 | 36% | 0.359 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.1 | -52.3 | 178.8 | -79.4 | 164.9 | 0 | 0 | 0 | 112.3 | V30 F31 I36 F37 F38 | V30-I34 HydrophobicContact CG1-CD1 3.65Å; V30-I34 HydrophobicContact CG1-CG1 4.28Å; V30-I34 VanDerWaalsContact O-CG1 3.26Å; V30-I34 WeakPolarHBondContact O-CG1 3.37Å; V30-I34 PolarHBondContact O-N 2.86Å; F31-I34 HydrophobicContact CD1-CD1 4.49Å; I34-I36 VanDerWaalsContact C-N 3.34Å; I34-I36 PolarHBondContact O-N 3.37Å; I34-F37 PolarHBondContact O-N 3.29Å; I34-F38 HydrophobicContact CG2-CD2 3.76Å; I34-F38 HydrophobicContact CG2-CE2 3.7Å; I34-F38 VanDerWaalsContact O-CD2 3.29Å; I34-F38 WeakPolarHBondContact O-CD2 3.26Å; I34-F38 PolarHBondContact O-N 3.16Å |
| 35 | P | 92.6 | Very high | 94.8 | Very high | 78 Ų | 78 | 98.7 Ų | 98.7 | 51% | 0.506 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.4 | -39.9 | 174.8 | -25.7 | 35 | 0 | 0 | 0 | 113.3 | F31 F38 Y39 | F31-P35 WeakPolarHBondContact O-CD 3.23Å; P35-F38 PolarHBondContact O-N 3.43Å; P35-Y39 VanDerWaalsContact O-CB 3.31Å; P35-Y39 WeakPolarHBondContact O-CB 3.37Å; P35-Y39 PolarHBondContact O-N 3.43Å |
| 36 | I | 93.4 | Very high | 94.8 | Very high | 81 Ų | 81 | 99.8 Ų | 99.8 | 42% | 0.415 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 179.3 | -61.6 | 172.2 | 0 | 0 | 0 | 110.5 | Y32 Y33 I34 Y39 G40 | Y32-I36 HydrophobicContact CD1-CD1 3.86Å; Y32-I36 HydrophobicContact CE1-CD1 3.47Å; Y32-I36 VanDerWaalsContact CE1-CD1 3.47Å; Y32-I36 WeakPolarHBondContact O-CD1 3.36Å; Y33-I36 HydrophobicContact CD1-CD1 4.17Å; Y33-I36 HydrophobicContact CE1-CD1 4.5Å; Y33-I36 PolarHBondContact O-N 3.41Å; I34-I36 VanDerWaalsContact C-N 3.34Å; I34-I36 PolarHBondContact O-N 3.37Å; I36-Y39 PolarHBondContact O-N 3.41Å; I36-G40 PolarHBondContact O-N 3.1Å |
| 37 | F | 94 | Very high | 94.7 | Very high | 145 Ų | 145 | 97 Ų | 97 | 64% | 0.636 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.4 | -47.9 | 175.3 | -177.9 | -96.2 | 0 | 0 | 0 | 111.3 | Y33 I34 Y39 G40 T41 | Y33-F37 WeakPolarHBondContact O-CB 3.25Å; Y33-F37 PolarHBondContact O-N 2.87Å; I34-F37 PolarHBondContact O-N 3.29Å; F37-Y39 PolarHBondContact O-N 2.9Å; F37-G40 PolarHBondContact O-N 3.31Å; F37-T41 HydrophobicContact CD1-CG2 4.21Å; F37-T41 HydrophobicContact CE1-CG2 3.78Å; F37-T41 HydrophobicContact CE2-CG2 4.32Å; F37-T41 HydrophobicContact CZ-CG2 3.84Å; F37-T41 WeakPolarHBondContact O-CG2 3.49Å; F37-T41 PolarHBondContact O-N 2.82Å; F37-T41 PolarHBondContact O-OG1 3.03Å |
| 38 | F | 95.5 | Very high | 94.5 | Very high | 128 Ų | 128 | 97.7 Ų | 97.7 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.1 | -47.6 | 175.6 | -83.8 | -60.2 | 0 | 0 | 0 | 111.8 | I34 P35 G40 T41 L42 | I34-F38 HydrophobicContact CG2-CD2 3.76Å; I34-F38 HydrophobicContact CG2-CE2 3.7Å; I34-F38 VanDerWaalsContact O-CD2 3.29Å; I34-F38 WeakPolarHBondContact O-CD2 3.26Å; I34-F38 PolarHBondContact O-N 3.16Å; P35-F38 PolarHBondContact O-N 3.43Å; F38-G40 PolarHBondContact O-N 2.9Å; F38-T41 WeakPolarHBondContact CA-OG1 3.49Å; F38-T41 PolarHBondContact O-N 3.07Å; F38-T41 VanDerWaalsContact O-N 3.17Å; F38-T41 PolarHBondContact O-OG1 2.9Å; F38-L42 WeakPolarHBondContact O-CG 3.36Å; F38-L42 PolarHBondContact O-N 2.85Å |
| 39 | Y | 94.6 | Very high | 94.3 | Very high | 159 Ų | 159 | 98.8 Ų | 98.8 | 62% | 0.624 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.1 | -42.2 | 177.7 | -168.7 | -117 | 0 | 0 | 0 | 112.2 | P35 I36 F37 T41 L42 I43 | P35-Y39 VanDerWaalsContact O-CB 3.31Å; P35-Y39 WeakPolarHBondContact O-CB 3.37Å; P35-Y39 PolarHBondContact O-N 3.43Å; I36-Y39 PolarHBondContact O-N 3.41Å; F37-Y39 PolarHBondContact O-N 2.9Å; Y39-T41 PolarHBondContact O-N 2.78Å; Y39-L42 PolarHBondContact O-N 3.5Å; Y39-I43 HydrophobicContact CD1-CD1 3.73Å; Y39-I43 HydrophobicContact CE1-CD1 3.44Å; Y39-I43 VanDerWaalsContact CE1-CD1 3.44Å; Y39-I43 HydrophobicContact CE1-CG1 4.42Å; Y39-I43 HydrophobicContact CE2-CD1 4.47Å; Y39-I43 HydrophobicContact CG-CD1 4.37Å; Y39-I43 WeakPolarHBondContact O-CG1 3.35Å; Y39-I43 PolarHBondContact O-N 3.25Å |
| 40 | G | 95.8 | Very high | 94 | Very high | 38 Ų | 38 | 96.9 Ų | 96.9 | 39% | 0.392 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I36 F37 F38 L44 | I36-G40 PolarHBondContact O-N 3.1Å; F37-G40 PolarHBondContact O-N 3.31Å; F38-G40 PolarHBondContact O-N 2.9Å; G40-L44 WeakPolarHBondContact O-CB 3.35Å; G40-L44 PolarHBondContact O-N 3.48Å |
| 41 | T | 95.1 | Very high | 93.6 | Very high | 55 Ų | 55 | 100.1 Ų | 100.1 | 34% | 0.337 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.7 | -33.2 | 175.4 | 59.2 | 0 | 0 | 0 | 0 | 113.1 | F37 F38 Y39 L44 S45 | F37-T41 HydrophobicContact CD1-CG2 4.21Å; F37-T41 HydrophobicContact CE1-CG2 3.78Å; F37-T41 HydrophobicContact CE2-CG2 4.32Å; F37-T41 HydrophobicContact CZ-CG2 3.84Å; F37-T41 WeakPolarHBondContact O-CG2 3.49Å; F37-T41 PolarHBondContact O-N 2.82Å; F37-T41 PolarHBondContact O-OG1 3.03Å; F38-T41 WeakPolarHBondContact CA-OG1 3.49Å; F38-T41 PolarHBondContact O-N 3.07Å; F38-T41 VanDerWaalsContact O-N 3.17Å; F38-T41 PolarHBondContact O-OG1 2.9Å; Y39-T41 PolarHBondContact O-N 2.78Å; T41-L44 PolarHBondContact O-N 3.17Å; T41-S45 VanDerWaalsContact O-CB 3.26Å; T41-S45 WeakPolarHBondContact O-CB 3.04Å; T41-S45 PolarHBondContact O-N 3.46Å |
| 42 | L | 96.1 | Very high | 93.2 | Very high | 107 Ų | 107 | 101.6 Ų | 101.6 | 56% | 0.56 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.8 | -45.9 | 174.5 | -73.7 | 169.8 | 0 | 0 | 0 | 111.1 | F38 Y39 L44 S45 V46 | F38-L42 WeakPolarHBondContact O-CG 3.36Å; F38-L42 PolarHBondContact O-N 2.85Å; Y39-L42 PolarHBondContact O-N 3.5Å; L42-L44 VanDerWaalsContact C-N 3.34Å; L42-L44 PolarHBondContact O-N 2.86Å; L42-S45 PolarHBondContact O-N 3.3Å; L42-V46 WeakPolarHBondContact O-CB 3.48Å; L42-V46 WeakPolarHBondContact O-CG2 3.4Å; L42-V46 PolarHBondContact O-N 2.82Å |
| 43 | I | 95.4 | Very high | 92.6 | Very high | 81 Ų | 81 | 101.8 Ų | 101.8 | 42% | 0.415 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.5 | -48.6 | 172.1 | -71.4 | 168.2 | 0 | 0 | 0 | 110.1 | Y39 S45 V46 C47 | Y39-I43 HydrophobicContact CD1-CD1 3.73Å; Y39-I43 HydrophobicContact CE1-CD1 3.44Å; Y39-I43 VanDerWaalsContact CE1-CD1 3.44Å; Y39-I43 HydrophobicContact CE1-CG1 4.42Å; Y39-I43 HydrophobicContact CE2-CD1 4.47Å; Y39-I43 HydrophobicContact CG-CD1 4.37Å; Y39-I43 WeakPolarHBondContact O-CG1 3.35Å; Y39-I43 PolarHBondContact O-N 3.25Å; I43-S45 VanDerWaalsContact C-N 3.31Å; I43-S45 PolarHBondContact O-N 3.24Å; I43-V46 PolarHBondContact O-N 3.31Å; I43-C47 WeakPolarHBondContact O-CB 3.38Å; I43-C47 PolarHBondContact O-N 3.43Å; I43-C47 PolarHBondContact O-SG 2.79Å |
| 44 | L | 95.3 | Very high | 91.8 | Very high | 113 Ų | 113 | 105.9 Ų | 105.9 | 59% | 0.592 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.3 | -40.4 | 178.9 | -176 | 60.9 | 0 | 0 | 0 | 111.8 | G40 T41 L42 C47 C48 | G40-L44 WeakPolarHBondContact O-CB 3.35Å; G40-L44 PolarHBondContact O-N 3.48Å; T41-L44 PolarHBondContact O-N 3.17Å; L42-L44 VanDerWaalsContact C-N 3.34Å; L42-L44 PolarHBondContact O-N 2.86Å; L44-C47 PolarHBondContact O-N 2.8Å; L44-C48 WeakPolarHBondContact O-CB 3.43Å; L44-C48 PolarHBondContact O-N 2.78Å; L44-C48 PolarHBondContact O-SG 3.47Å |
| 45 | S | 95.3 | Very high | 90.6 | Very high | 75 Ų | 75 | 106.7 Ų | 106.7 | 52% | 0.524 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 176.4 | -174.1 | 0 | 0 | 0 | 0 | 112.3 | T41 L42 I43 C48 F49 | T41-S45 VanDerWaalsContact O-CB 3.26Å; T41-S45 WeakPolarHBondContact O-CB 3.04Å; T41-S45 PolarHBondContact O-N 3.46Å; L42-S45 PolarHBondContact O-N 3.3Å; I43-S45 VanDerWaalsContact C-N 3.31Å; I43-S45 PolarHBondContact O-N 3.24Å; S45-C48 PolarHBondContact O-N 3.38Å; S45-F49 WeakPolarHBondContact O-CB 3.41Å; S45-F49 PolarHBondContact O-N 3.43Å |
| 46 | V | 95.3 | Very high | 88.7 | Confident | 99 Ų | 99 | 105.5 Ų | 105.5 | 60% | 0.6 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65 | -40.2 | 175.5 | 171.6 | 0 | 0 | 0 | 0 | 111 | L42 I43 F49 A50 | L42-V46 WeakPolarHBondContact O-CB 3.48Å; L42-V46 WeakPolarHBondContact O-CG2 3.4Å; L42-V46 PolarHBondContact O-N 2.82Å; I43-V46 PolarHBondContact O-N 3.31Å; V46-F49 PolarHBondContact O-N 2.88Å; V46-A50 VanDerWaalsContact O-CB 3.28Å; V46-A50 WeakPolarHBondContact O-CB 3.41Å; V46-A50 PolarHBondContact O-N 2.65Å |
| 47 | C | 92.5 | Very high | 86.7 | Confident | 53 Ų | 53 | 108.2 Ų | 108.2 | 36% | 0.358 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.3 | -46.8 | 172.1 | -73.2 | 0 | 0 | 0 | 0 | 111.4 | I43 L44 F49 A50 F51 | I43-C47 WeakPolarHBondContact O-CB 3.38Å; I43-C47 PolarHBondContact O-N 3.43Å; I43-C47 PolarHBondContact O-SG 2.79Å; L44-C47 PolarHBondContact O-N 2.8Å; C47-F49 VanDerWaalsContact C-N 3.32Å; C47-F49 PolarHBondContact O-N 3.45Å; C47-A50 PolarHBondContact O-N 3.32Å; C47-F51 HydrophobicContact CB-CD2 4.41Å; C47-F51 HydrophobicContact CB-CE2 4.36Å; C47-F51 WeakPolarHBondContact O-CB 3.31Å; C47-F51 WeakPolarHBondContact O-CD2 3.46Å; C47-F51 WeakPolarHBondContact O-CG 3.29Å; C47-F51 PolarHBondContact O-N 3.27Å |
| 48 | C | 90.9 | Very high | 84.5 | Confident | 73 Ų | 73 | 108.6 Ų | 108.6 | 49% | 0.493 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61 | -38.7 | 176 | -74.8 | 0 | 0 | 0 | 0 | 112.4 | L44 S45 Y52 | L44-C48 WeakPolarHBondContact O-CB 3.43Å; L44-C48 PolarHBondContact O-N 2.78Å; L44-C48 PolarHBondContact O-SG 3.47Å; S45-C48 PolarHBondContact O-N 3.38Å; C48-Y52 WeakPolarHBondContact O-CB 3.38Å; C48-Y52 PolarHBondContact O-N 3.19Å |
| 49 | F | 91.2 | Very high | 82.6 | Confident | 126 Ų | 126 | 108.9 Ų | 108.9 | 55% | 0.553 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.9 | -47.1 | 174.9 | -168.7 | -90.6 | 0 | 0 | 0 | 111.4 | S45 V46 C47 F51 Y52 Y53 | S45-F49 WeakPolarHBondContact O-CB 3.41Å; S45-F49 PolarHBondContact O-N 3.43Å; V46-F49 PolarHBondContact O-N 2.88Å; C47-F49 VanDerWaalsContact C-N 3.32Å; C47-F49 PolarHBondContact O-N 3.45Å; F49-F51 VanDerWaalsContact C-N 3.34Å; F49-F51 PolarHBondContact O-N 2.79Å; F49-Y52 PolarHBondContact O-N 3.32Å; F49-Y52 VanDerWaalsContact O-N 3.16Å; F49-Y53 AromaticContact CD1-CD2 3.9Å; F49-Y53 HydrophobicContact CD1-CD2 3.9Å; F49-Y53 AromaticContact CD1-CE2 3.99Å; F49-Y53 HydrophobicContact CD1-CE2 3.99Å; F49-Y53 HydrophobicContact CD2-CD2 4.48Å; F49-Y53 HydrophobicContact CD2-CE2 4.07Å; F49-Y53 AromaticContact CE1-CD2 3.72Å; F49-Y53 HydrophobicContact CE1-CD2 3.72Å; F49-Y53 AromaticContact CE1-CE2 3.44Å; F49-Y53 HydrophobicContact CE1-CE2 3.44Å; F49-Y53 VanDerWaalsContact CE1-CE2 3.44Å; F49-Y53 HydrophobicContact CE1-CG 4.42Å; F49-Y53 AromaticContact CE1-CZ 3.9Å; F49-Y53 HydrophobicContact CE2-CD2 4.33Å; F49-Y53 AromaticContact CE2-CE2 3.54Å; F49-Y53 HydrophobicContact CE2-CE2 3.54Å; F49-Y53 HydrophobicContact CG-CD2 4.29Å; F49-Y53 HydrophobicContact CG-CE2 4.29Å; F49-Y53 AromaticContact CZ-CD2 3.96Å; F49-Y53 HydrophobicContact CZ-CD2 3.96Å; F49-Y53 AromaticContact CZ-CE2 3.2Å; F49-Y53 HydrophobicContact CZ-CE2 3.2Å; F49-Y53 AromaticContact CZ-CZ 3.54Å; F49-Y53 WeakPolarHBondContact O-CD2 3.2Å; F49-Y53 PolarHBondContact O-N 2.97Å |
| 50 | A | 90.8 | Very high | 80.4 | Confident | 54 Ų | 54 | 106.7 Ų | 106.7 | 45% | 0.446 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61 | -41 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | V46 C47 R54 | V46-A50 VanDerWaalsContact O-CB 3.28Å; V46-A50 WeakPolarHBondContact O-CB 3.41Å; V46-A50 PolarHBondContact O-N 2.65Å; C47-A50 PolarHBondContact O-N 3.32Å; A50-R54 WeakPolarHBondContact O-CB 3.18Å; A50-R54 PolarHBondContact O-N 2.78Å |
| 51 | F | 86.5 | Confident | 78 | Confident | 140 Ų | 140 | 109 Ų | 109 | 61% | 0.614 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.9 | -44.7 | 172 | -77.8 | -59 | 0 | 0 | 0 | 111.5 | C47 F49 Y53 R54 S55 | C47-F51 HydrophobicContact CB-CD2 4.41Å; C47-F51 HydrophobicContact CB-CE2 4.36Å; C47-F51 WeakPolarHBondContact O-CB 3.31Å; C47-F51 WeakPolarHBondContact O-CD2 3.46Å; C47-F51 WeakPolarHBondContact O-CG 3.29Å; C47-F51 PolarHBondContact O-N 3.27Å; F49-F51 VanDerWaalsContact C-N 3.34Å; F49-F51 PolarHBondContact O-N 2.79Å; F51-Y53 PolarHBondContact O-N 3.37Å; F51-R54 CarbonylContact O-C 3.52Å; F51-R54 PolarHBondContact O-N 3.27Å; F51-S55 WeakPolarHBondContact O-CB 3.35Å; F51-S55 PolarHBondContact O-N 3.45Å; F51-S55 PolarHBondContact O-OG 3.29Å |
| 52 | Y | 86.1 | Confident | 75.7 | Confident | 168 Ų | 168 | 116 Ų | 116 | 66% | 0.659 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -59.6 | -45.2 | 178.6 | -174.1 | -99.2 | 0 | 0 | 0 | 112.6 | C48 F49 | C48-Y52 WeakPolarHBondContact O-CB 3.38Å; C48-Y52 PolarHBondContact O-N 3.19Å; F49-Y52 PolarHBondContact O-N 3.32Å; F49-Y52 VanDerWaalsContact O-N 3.16Å |
| 53 | Y | 81.1 | Confident | 73.4 | Confident | 159 Ų | 159 | 116.4 Ų | 116.4 | 62% | 0.624 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.8 | -38.6 | 176.5 | -83.6 | -110.3 | 0 | 0 | 0 | 112.2 | F49 F51 S55 G56 | F49-Y53 AromaticContact CD1-CD2 3.9Å; F49-Y53 HydrophobicContact CD1-CD2 3.9Å; F49-Y53 AromaticContact CD1-CE2 3.99Å; F49-Y53 HydrophobicContact CD1-CE2 3.99Å; F49-Y53 HydrophobicContact CD2-CD2 4.48Å; F49-Y53 HydrophobicContact CD2-CE2 4.07Å; F49-Y53 AromaticContact CE1-CD2 3.72Å; F49-Y53 HydrophobicContact CE1-CD2 3.72Å; F49-Y53 AromaticContact CE1-CE2 3.44Å; F49-Y53 HydrophobicContact CE1-CE2 3.44Å; F49-Y53 VanDerWaalsContact CE1-CE2 3.44Å; F49-Y53 HydrophobicContact CE1-CG 4.42Å; F49-Y53 AromaticContact CE1-CZ 3.9Å; F49-Y53 HydrophobicContact CE2-CD2 4.33Å; F49-Y53 AromaticContact CE2-CE2 3.54Å; F49-Y53 HydrophobicContact CE2-CE2 3.54Å; F49-Y53 HydrophobicContact CG-CD2 4.29Å; F49-Y53 HydrophobicContact CG-CE2 4.29Å; F49-Y53 AromaticContact CZ-CD2 3.96Å; F49-Y53 HydrophobicContact CZ-CD2 3.96Å; F49-Y53 AromaticContact CZ-CE2 3.2Å; F49-Y53 HydrophobicContact CZ-CE2 3.2Å; F49-Y53 AromaticContact CZ-CZ 3.54Å; F49-Y53 WeakPolarHBondContact O-CD2 3.2Å; F49-Y53 PolarHBondContact O-N 2.97Å; F51-Y53 PolarHBondContact O-N 3.37Å; Y53-S55 VanDerWaalsContact C-N 3.33Å; Y53-G56 PolarHBondContact O-N 2.88Å |
| 54 | R | 77.3 | Confident | 71.1 | Confident | 221 Ų | 221 | 114.9 Ų | 114.9 | 83% | 0.834 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -77.8 | -15.9 | 179 | -159.7 | 173.9 | -163.8 | -123.3 | 4.6 | 113.5 | A50 F51 G56 | A50-R54 WeakPolarHBondContact O-CB 3.18Å; A50-R54 PolarHBondContact O-N 2.78Å; F51-R54 CarbonylContact O-C 3.52Å; F51-R54 PolarHBondContact O-N 3.27Å; R54-G56 VanDerWaalsContact C-N 3.26Å |
| 55 | S | 67.9 | Low | 68.6 | Low | 87 Ų | 87 | 115.9 Ų | 115.9 | 61% | 0.608 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.4 | -28.6 | 169.7 | -78.9 | 0 | 0 | 0 | 0 | 111.9 | F51 Y53 E57 | F51-S55 WeakPolarHBondContact O-CB 3.35Å; F51-S55 PolarHBondContact O-N 3.45Å; F51-S55 PolarHBondContact O-OG 3.29Å; Y53-S55 VanDerWaalsContact C-N 3.33Å; S55-E57 PolarHBondContact O-N 2.85Å |
| 56 | G | 53.8 | Low | 66.1 | Low | 53 Ų | 53 | 119.3 Ų | 119.3 | 55% | 0.546 | 64% | 0.637 | S | S | . | * | | | trans | 64.7 | -20.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | Y53 R54 H58 | Y53-G56 PolarHBondContact O-N 2.88Å; R54-G56 VanDerWaalsContact C-N 3.26Å; G56-H58 PolarHBondContact O-N 3.5Å; G56-H58 VanDerWaalsContact O-N 3.13Å |
| 57 | E | 51.3 | Low | 64 | Low | 139 Ų | 139 | 118.9 Ų | 118.9 | 65% | 0.65 | 64% | 0.636 | S | S | * | * | | | trans | -73.3 | 107 | -179.8 | -68.2 | -156 | 171 | 0 | 0 | 110.8 | S55 L59 | S55-E57 PolarHBondContact O-N 2.85Å; E57-L59 VanDerWaalsContact C-N 3.33Å; E57-L59 PolarHBondContact O-N 3.17Å |
| 58 | H | 47.7 | Very low | 61.6 | Low | 152 Ų | 152 | 128.1 Ų | 128.1 | 70% | 0.704 | 66% | 0.663 | S | S | * | * | | | trans | -60.8 | 93.8 | 167 | -75.2 | -107.1 | 0 | 0 | 0 | 109.6 | G56 P60 A61 | G56-H58 PolarHBondContact O-N 3.5Å; G56-H58 VanDerWaalsContact O-N 3.13Å; H58-P60 VanDerWaalsContact C-N 3.3Å; H58-P60 WeakPolarHBondContact O-CD 3.31Å; H58-P60 VanDerWaalsContact O-N 3.1Å; H58-A61 HydrophobicContact CB-CB 4.16Å; H58-A61 WeakPolarHBondContact O-CB 3.12Å; H58-A61 PolarHBondContact O-N 3.43Å |
| 59 | L | 55.8 | Low | 59.7 | Low | 134 Ų | 134 | 128.9 Ų | 128.9 | 70% | 0.702 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51 | -27.5 | -178.7 | -84.4 | 163.4 | 0 | 0 | 0 | 117.1 | E57 | E57-L59 VanDerWaalsContact C-N 3.33Å; E57-L59 PolarHBondContact O-N 3.17Å |
| 60 | P | 46.8 | Very low | 57.5 | Low | 114 Ų | 114 | 126.2 Ų | 126.2 | 74% | 0.74 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -18.7 | 171.6 | 28.9 | -35.9 | 0 | 0 | 0 | 114.4 | H58 R62 | H58-P60 VanDerWaalsContact C-N 3.3Å; H58-P60 WeakPolarHBondContact O-CD 3.31Å; H58-P60 VanDerWaalsContact O-N 3.1Å; P60-R62 PolarHBondContact O-N 2.9Å |
| 61 | A | 44.8 | Very low | 55 | Low | 86 Ų | 86 | 131 Ų | 131 | 71% | 0.711 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -9.6 | -169 | 0 | 0 | 0 | 0 | 0 | 115 | H58 | H58-A61 HydrophobicContact CB-CB 4.16Å; H58-A61 WeakPolarHBondContact O-CB 3.12Å; H58-A61 PolarHBondContact O-N 3.43Å |
| 62 | R | 47.5 | Very low | 52.9 | Low | 203 Ų | 203 | 132.7 Ų | 132.7 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | 6.1 | -175.7 | -140.1 | 177.1 | -175.8 | -153.2 | -2.6 | 115.3 | P60 | P60-R62 PolarHBondContact O-N 2.9Š|
| 63 | L | 47.5 | Very low | 51 | Low | 114 Ų | 114 | 128.7 Ų | 128.7 | 60% | 0.597 | 71% | 0.708 | S | S | * | * | | | trans | -104.5 | 90.2 | 169.4 | -89.2 | 60.5 | 0 | 0 | 0 | 109.2 | P67 | L63-P67 HydrophobicContact CD2-CB 3.76Å; L63-P67 HydrophobicContact CD2-CG 4.41Å; L63-P67 HydrophobicContact CG-CB 3.98Å |
| 64 | G | 47.6 | Very low | 49.4 | Very low | 49 Ų | 49 | 124.6 Ų | 124.6 | 51% | 0.505 | 70% | 0.701 | S | S | . | * | | | trans | -61.8 | 179.2 | 156.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | N66 | G64-N66 PolarHBondContact O-N 2.89Š|
| 65 | P | 42.3 | Very low | 47.9 | Very low | 135 Ų | 135 | 118 Ų | 118 | 88% | 0.877 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -64.9 | 10.6 | -165 | 24.3 | -34.9 | 0 | 0 | 0 | 117.3 | | |
| 66 | N | 43.7 | Very low | 47 | Very low | 147 Ų | 147 | 120 Ų | 120 | 79% | 0.786 | 70% | 0.701 | S | S | * | * | | | trans | -142.5 | 90.8 | 170.7 | -84.2 | -78.4 | 0 | 0 | 0 | 111.8 | G64 R68 | G64-N66 PolarHBondContact O-N 2.89Å; N66-R68 PolarHBondContact O-N 3.5Å |
| 67 | P | 50.4 | Low | 46.8 | Very low | 89 Ų | 89 | 124.1 Ų | 124.1 | 58% | 0.578 | 70% | 0.704 | S | S | * | * | | | trans | -65.6 | 111.2 | 165.3 | 25.5 | -32.5 | 0 | 0 | 0 | 111 | L63 G69 | L63-P67 HydrophobicContact CD2-CB 3.76Å; L63-P67 HydrophobicContact CD2-CG 4.41Å; L63-P67 HydrophobicContact CG-CB 3.98Å; P67-G69 PolarHBondContact O-N 2.85Å |
| 68 | R | 42.7 | Very low | 46.8 | Very low | 247 Ų | 247 | 126.7 Ų | 126.7 | 93% | 0.932 | 71% | 0.708 | S | S | * | * | | | trans | -70.6 | 110.6 | 162.2 | -76.6 | -173.6 | 172.8 | -179.9 | -0.6 | 108.6 | N66 G70 | N66-R68 PolarHBondContact O-N 3.5Å; R68-G70 PolarHBondContact O-N 2.93Å |
| 69 | G | 50.7 | Low | 46.6 | Very low | 90 Ų | 90 | 122.7 Ų | 122.7 | 93% | 0.928 | 71% | 0.708 | S | S | * | * | | | trans | -60.7 | 109 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P67 | P67-G69 PolarHBondContact O-N 2.85Š|
| 70 | G | 45.6 | Very low | 46 | Very low | 70 Ų | 70 | 127.2 Ų | 127.2 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | | | trans | -154.4 | 18.8 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | R68 H72 | R68-G70 PolarHBondContact O-N 2.93Å; G70-H72 PolarHBondContact O-N 2.93Å |
| 71 | L | 37.5 | Very low | 45.6 | Very low | 155 Ų | 155 | 128.7 Ų | 128.7 | 81% | 0.812 | 72% | 0.717 | S | S | * | * | | | trans | -95.8 | 86.5 | 175 | -152.7 | 80.4 | 0 | 0 | 0 | 110.8 | I73 | L71-I73 VanDerWaalsContact C-N 3.31Å; L71-I73 HydrophobicContact CD2-CD1 4.27Å; L71-I73 HydrophobicContact CD2-CG1 4.2Å; L71-I73 HydrophobicContact CG-CG1 4.45Å; L71-I73 PolarHBondContact O-N 3Å |
| 72 | H | 43.5 | Very low | 45.2 | Very low | 174 Ų | 174 | 130.9 Ų | 130.9 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | | | trans | -77.7 | 76.5 | -178.8 | -172.4 | -84 | 0 | 0 | 0 | 111.9 | G70 P74 | G70-H72 PolarHBondContact O-N 2.93Å; H72-P74 WeakPolarHBondContact O-CD 3.47Å |
| 73 | I | 46.2 | Very low | 44.7 | Very low | 85 Ų | 85 | 124.3 Ų | 124.3 | 44% | 0.436 | 72% | 0.719 | S | S | . | * | | | trans | -65.9 | 118.5 | 172.8 | -58 | 175.1 | 0 | 0 | 0 | 108.8 | L71 F77 | L71-I73 VanDerWaalsContact C-N 3.31Å; L71-I73 HydrophobicContact CD2-CD1 4.27Å; L71-I73 HydrophobicContact CD2-CG1 4.2Å; L71-I73 HydrophobicContact CG-CG1 4.45Å; L71-I73 PolarHBondContact O-N 3Å; I73-F77 HydrophobicContact CG2-CB 4.24Å |
| 74 | P | 47 | Very low | 44 | Very low | 73 Ų | 73 | 126.2 Ų | 126.2 | 47% | 0.474 | 73% | 0.729 | S | S | . | * | | | trans | -64.6 | 140.1 | -179.8 | 26 | -33.3 | 0 | 0 | 0 | 111.2 | H72 V76 F77 | H72-P74 WeakPolarHBondContact O-CD 3.47Å; P74-V76 PolarHBondContact O-N 3.49Å; P74-F77 HydrophobicContact CG-CD2 4.33Å; P74-F77 PolarHBondContact O-N 3.33Å; P74-F77 VanDerWaalsContact O-N 3.16Å |
| 75 | A | 46.3 | Very low | 43.2 | Very low | 82 Ų | 82 | 132.9 Ų | 132.9 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -56.2 | -27.7 | -165 | 0 | 0 | 0 | 0 | 0 | 115.1 | F77 R78 | A75-F77 VanDerWaalsContact C-N 3.26Å; A75-F77 PolarHBondContact O-N 3.45Å; A75-R78 PolarHBondContact O-N 3.5Å; A75-R78 VanDerWaalsContact O-N 3.07Å |
| 76 | V | 49.1 | Very low | 42.7 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 78% | 0.782 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -53.4 | -40.2 | 178.6 | -175.8 | 0 | 0 | 0 | 0 | 112.4 | P74 R78 G79 | P74-V76 PolarHBondContact O-N 3.49Å; V76-R78 VanDerWaalsContact C-N 3.29Å; V76-R78 PolarHBondContact O-N 2.84Å; V76-G79 PolarHBondContact O-N 3.46Å |
| 77 | F | 49 | Very low | 42 | Very low | 139 Ų | 139 | 131.4 Ų | 131.4 | 61% | 0.61 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -74.9 | -12.5 | -178.2 | -81.6 | -80.5 | 0 | 0 | 0 | 114.5 | I73 P74 A75 G79 | I73-F77 HydrophobicContact CG2-CB 4.24Å; P74-F77 HydrophobicContact CG-CD2 4.33Å; P74-F77 PolarHBondContact O-N 3.33Å; P74-F77 VanDerWaalsContact O-N 3.16Å; A75-F77 VanDerWaalsContact C-N 3.26Å; A75-F77 PolarHBondContact O-N 3.45Å; F77-G79 VanDerWaalsContact C-N 3.26Å; F77-G79 PolarHBondContact O-N 2.93Å |
| 78 | R | 51.5 | Low | 41 | Very low | 193 Ų | 193 | 130.6 Ų | 130.6 | 73% | 0.728 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -74.5 | -14.2 | 175.7 | -71.1 | -175.2 | 175.5 | -97.8 | 1.4 | 113.5 | A75 V76 | A75-R78 PolarHBondContact O-N 3.5Å; A75-R78 VanDerWaalsContact O-N 3.07Å; V76-R78 VanDerWaalsContact C-N 3.29Å; V76-R78 PolarHBondContact O-N 2.84Å |
| 79 | G | 44.1 | Very low | 40.4 | Very low | 68 Ų | 68 | 125.5 Ų | 125.5 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -82.7 | -7.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | V76 F77 | V76-G79 PolarHBondContact O-N 3.46Å; F77-G79 VanDerWaalsContact C-N 3.26Å; F77-G79 PolarHBondContact O-N 2.93Å |
| 80 | W | 42.8 | Very low | 39.5 | Very low | 229 Ų | 229 | 126.2 Ų | 126.2 | 87% | 0.867 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -122 | 12.6 | -166.8 | -103.5 | 55.9 | 0 | 0 | 0 | 115.2 | P82 | W80-P82 WeakPolarHBondContact O-CD 3.24Š|
| 81 | L | 37.8 | Very low | 38.7 | Very low | 146 Ų | 146 | 131.4 Ų | 131.4 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | | | trans | -111.2 | 106.6 | 177.4 | -76.3 | 168.9 | 0 | 0 | 0 | 111.5 | G83 | L81-G83 PolarHBondContact O-N 3.34Š|
| 82 | P | 36 | Very low | 38.4 | Very low | 132 Ų | 132 | 128.5 Ų | 128.5 | 86% | 0.857 | 74% | 0.741 | S | S | * | * | | | trans | -69.8 | 91.6 | 177.4 | -20.8 | 34.5 | 0 | 0 | 0 | 113.4 | W80 L84 | W80-P82 WeakPolarHBondContact O-CD 3.24Å; P82-L84 PolarHBondContact O-N 2.84Å |
| 83 | G | 37.3 | Very low | 37.8 | Very low | 64 Ų | 64 | 126.8 Ų | 126.8 | 66% | 0.66 | 74% | 0.743 | S | S | * | * | | | trans | 67.3 | 29.9 | 142.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | L81 K85 | L81-G83 PolarHBondContact O-N 3.34Å; G83-K85 PolarHBondContact O-N 3.43Å |
| 84 | L | 32 | Very low | 37.1 | Very low | 154 Ų | 154 | 135 Ų | 135 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | | | trans | -68.2 | 89.5 | 171.9 | -172.5 | 65.8 | 0 | 0 | 0 | 111.4 | P82 T86 | P82-L84 PolarHBondContact O-N 2.84Å; L84-T86 HydrophobicContact CG-CG2 4.4Å; L84-T86 PolarHBondContact O-N 3.29Å |
| 85 | K | 30.8 | Very low | 36.1 | Very low | 189 Ų | 189 | 135.2 Ų | 135.2 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | -83.8 | 80.1 | 178.8 | -74.3 | -176.3 | 175.8 | 178.2 | 0 | 112.3 | G83 T87 | G83-K85 PolarHBondContact O-N 3.43Å; K85-T87 PolarHBondContact O-N 2.97Å |
| 86 | T | 33.6 | Very low | 35.6 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 73% | 0.73 | 80% | 0.795 | S | S | * | * | | | trans | -90.6 | 83.8 | 166.4 | 41.5 | 0 | 0 | 0 | 0 | 110.8 | L84 G88 | L84-T86 HydrophobicContact CG-CG2 4.4Å; L84-T86 PolarHBondContact O-N 3.29Å; T86-G88 PolarHBondContact O-N 2.67Å |
| 87 | T | 29.1 | Very low | 35.1 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | | | trans | -75.9 | 85.3 | 177.3 | 43.9 | 0 | 0 | 0 | 0 | 112.2 | K85 | K85-T87 PolarHBondContact O-N 2.97Š|
| 88 | G | 28.9 | Very low | 34.1 | Very low | 71 Ų | 71 | 142.7 Ų | 142.7 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | | | trans | -72.8 | 166.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T86 | T86-G88 PolarHBondContact O-N 2.67Š|
| 89 | V | 30.5 | Very low | 33.1 | Very low | 140 Ų | 140 | 144.8 Ų | 144.8 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | | | trans | -91.3 | 136.3 | -163.5 | 175.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 90 | S | 31.1 | Very low | 32.3 | Very low | 105 Ų | 105 | 146.4 Ų | 146.4 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | | | trans | 4.2 | 137.9 | 157.6 | -50.7 | 0 | 0 | 0 | 0 | 122.3 | | |
| 91 | L | 28.5 | Very low | 31.9 | Very low | 180 Ų | 180 | 142.6 Ų | 142.6 | 94% | 0.942 | 81% | 0.807 | S | S | * | * | | | | -143.5 | 154.8 | 126.6 | -151.4 | 74.5 | 0 | 0 | 0 | 110.1 | | |
| 92 | A | 30.6 | Very low | 31.6 | Very low | 93 Ų | 93 | 139.9 Ų | 139.9 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | | | trans | -145.1 | 131.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 93 | T | 30.7 | Very low | 31.5 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | -141.6 | 113 | 164.3 | 44.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 94 | R | 31.7 | Very low | 31.5 | Very low | 256 Ų | 256 | 144 Ų | 144 | 97% | 0.966 | 79% | 0.792 | S | S | * | * | | | | 85.2 | 92.9 | 68.3 | -167.2 | -176.4 | -164.7 | -150.7 | 5.1 | 113 | | |
| 95 | G | 27.6 | Very low | 31.7 | Very low | 78 Ų | 78 | 145.7 Ų | 145.7 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -172.8 | 124.6 | 170 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 96 | K | 33.9 | Very low | 31.8 | Very low | 206 Ų | 206 | 139.7 Ų | 139.7 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | | | trans | -152.5 | 172.4 | 176.9 | -90.7 | -170.8 | 178.4 | -178.3 | 0 | 107.7 | | |
| 97 | P | 38.8 | Very low | 31.9 | Very low | 122 Ų | 122 | 141 Ų | 141 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | | | cis | -113.9 | -111.5 | 7.8 | 32.4 | -11.8 | 0 | 0 | 0 | 116.1 | | |
| 98 | K | 29.5 | Very low | 32 | Very low | 180 Ų | 180 | 141.3 Ų | 141.3 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | | | cis | -157.5 | 68.7 | 10.5 | -164.3 | -174.2 | 174.9 | -176.2 | 0 | 115.6 | | |
| 99 | R | 30.7 | Very low | 32.2 | Very low | 236 Ų | 236 | 146.2 Ų | 146.2 | 89% | 0.891 | 77% | 0.765 | S | S | * | * | | | trans | 67.3 | 176.9 | 164.5 | -52.4 | 172.3 | 176 | 168.6 | -3.2 | 114.9 | | |
| 100 | S | 27.1 | Very low | 32.3 | Very low | 103 Ų | 103 | 145.6 Ų | 145.6 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | | | cis | -142 | 152.5 | 3.8 | 40.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 101 | I | 33.3 | Very low | 32.3 | Very low | 149 Ų | 149 | 146.2 Ų | 146.2 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | | | | 67.2 | 126.7 | 55.5 | -56.7 | 162.6 | 0 | 0 | 0 | 110 | | |
| 102 | S | 32.1 | Very low | 32.4 | Very low | 89 Ų | 89 | 145.9 Ų | 145.9 | 62% | 0.622 | 75% | 0.746 | S | S | * | * | | | cis | -154.9 | 163.9 | 23.3 | 57.4 | 0 | 0 | 0 | 0 | 117.6 | | |
| 103 | S | 33.8 | Very low | 32.2 | Very low | 80 Ų | 80 | 144.3 Ų | 144.3 | 56% | 0.559 | 74% | 0.739 | S | S | * | * | | | trans | 61.2 | 165.6 | 133.9 | 63.3 | 0 | 0 | 0 | 0 | 122.3 | | |
| 104 | Y | 37.1 | Very low | 32.2 | Very low | 201 Ų | 201 | 146 Ų | 146 | 79% | 0.788 | 74% | 0.737 | S | S | * | * | | | cis | -152.5 | 150.6 | 13.2 | -11.5 | -117.1 | 0 | 0 | 0 | 113.9 | | |
| 105 | K | 36.3 | Very low | 32 | Very low | 190 Ų | 190 | 140 Ų | 140 | 83% | 0.826 | 72% | 0.723 | S | S | * | * | | | trans | 43 | 156.8 | 141.5 | -76.6 | -140.9 | 159.2 | -150.5 | 0 | 124 | E107 | K105-E107 IonicContact NZ-OE1 2.74Š|
| 106 | A | 33.7 | Very low | 32 | Very low | 64 Ų | 64 | 145.7 Ų | 145.7 | 53% | 0.529 | 72% | 0.721 | S | S | . | * | | | cis | -177.3 | 176.2 | -24.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 107 | E | 35.8 | Very low | 31.6 | Very low | 145 Ų | 145 | 143.7 Ų | 143.7 | 68% | 0.678 | 71% | 0.714 | S | S | * | * | | | trans | 68.2 | 154.3 | 160.7 | -47.1 | -47.5 | 146.2 | 0 | 0 | 118.6 | K105 | K105-E107 IonicContact NZ-OE1 2.74Š|
| 108 | H | 30.1 | Very low | 31.1 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 65% | 0.653 | 72% | 0.717 | S | S | * | * | | | cis | -156.7 | 137 | 15.3 | -163.8 | -131.7 | 0 | 0 | 0 | 112.9 | | |
| 109 | R | 33.2 | Very low | 31.8 | Very low | 173 Ų | 173 | 144.2 Ų | 144.2 | 65% | 0.653 | 71% | 0.707 | S | S | * | * | | | trans | 47.1 | 172.2 | 144.1 | -73.6 | -161.6 | 156 | 179.4 | -54.7 | 123.1 | | |
| 110 | E | 32.5 | Very low | 31.6 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 59% | 0.593 | 70% | 0.702 | S | S | * | * | | | cis | -166.7 | 164.3 | -38.1 | -100.8 | 164.3 | -154 | 0 | 0 | 104 | | |
| 111 | T | 30.6 | Very low | 31.6 | Very low | 118 Ų | 118 | 141 Ų | 141 | 72% | 0.724 | 70% | 0.703 | S | S | * | * | | | cis | -151.6 | 158 | 42.5 | 39.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 112 | E | 30.9 | Very low | 31.5 | Very low | 173 Ų | 173 | 140.5 Ų | 140.5 | 81% | 0.808 | 71% | 0.707 | S | S | * | * | | | cis | 73 | 124.1 | 49 | -171.4 | 171.4 | -122.3 | 0 | 0 | 114 | | |
| 113 | G | 27.2 | Very low | 31.3 | Very low | 60 Ų | 60 | 139.2 Ų | 139.2 | 62% | 0.619 | 71% | 0.708 | S | S | * | * | | | cis | 175.1 | -174.4 | -7.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 114 | H | 30.5 | Very low | 31 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 81% | 0.81 | 72% | 0.717 | S | S | * | * | | | trans | 64.5 | 156.2 | 150 | -87.1 | 64.7 | 0 | 0 | 0 | 119.4 | | |
| 115 | L | 27.9 | Very low | 30.5 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 68% | 0.681 | 72% | 0.717 | S | S | * | * | | | cis | -168.6 | 150.4 | -1.7 | 170.6 | 65.2 | 0 | 0 | 0 | 112.3 | | |
| 116 | R | 27.3 | Very low | 30.1 | Very low | 197 Ų | 197 | 144 Ų | 144 | 74% | 0.743 | 72% | 0.718 | S | S | * | * | | | trans | 61.4 | 172.8 | 162.4 | -72.4 | -94.3 | -179.9 | 175.6 | -0.6 | 116.9 | | |
| 117 | Q | 25.2 | Very low | 29.7 | Very low | 164 Ų | 164 | 149.5 Ų | 149.5 | 77% | 0.766 | 73% | 0.725 | S | S | * | * | | | cis | -140.8 | 152.2 | 4.8 | -157.5 | 118.7 | -22.2 | 0 | 0 | 113 | | |
| 118 | R | 28.7 | Very low | 29.2 | Very low | 225 Ų | 225 | 149.6 Ų | 149.6 | 85% | 0.849 | 73% | 0.726 | S | S | * | * | | | trans | -105.5 | -174.8 | 162.7 | -140.4 | -166.9 | 170.9 | -159.8 | -0.6 | 106.7 | | |
| 119 | P | 43.9 | Very low | 29.1 | Very low | 89 Ų | 89 | 146.4 Ų | 146.4 | 58% | 0.578 | 72% | 0.724 | S | S | * | * | | | cis | -130.7 | -171.9 | -18.8 | 43.4 | -27.5 | 0 | 0 | 0 | 112.8 | | |
| 120 | S | 26.6 | Very low | 29 | Very low | 111 Ų | 111 | 146.2 Ų | 146.2 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | | | | 156 | 165 | 124.2 | 61 | 0 | 0 | 0 | 0 | 112.3 | | |
| 121 | E | 27.5 | Very low | 28.9 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | | | cis | -169 | 173.5 | -46.1 | -163.5 | 121.7 | -154.1 | 0 | 0 | 108.3 | | |
| 122 | T | 29.9 | Very low | 28.8 | Very low | 139 Ų | 139 | 144.1 Ų | 144.1 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | | | trans | 71.3 | 149.5 | 169.6 | 75 | 0 | 0 | 0 | 0 | 118.2 | | |
| 123 | G | 28.3 | Very low | 28.6 | Very low | 62 Ų | 62 | 142 Ų | 142 | 64% | 0.639 | 73% | 0.733 | S | S | * | * | | | cis | 176.7 | 128.4 | -12.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 124 | I | 28.5 | Very low | 28.6 | Very low | 146 Ų | 146 | 143 Ų | 143 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | | | trans | 63.2 | 152.1 | 137.7 | -24.5 | -175.6 | 0 | 0 | 0 | 120.8 | | |
| 125 | Y | 26.3 | Very low | 28.5 | Very low | 201 Ų | 201 | 143.7 Ų | 143.7 | 79% | 0.788 | 73% | 0.732 | S | S | * | * | | | trans | 75.5 | 156.5 | 164.8 | -72.8 | -63.7 | 0 | 0 | 0 | 116.7 | | |
| 126 | R | 26.7 | Very low | 28.7 | Very low | 226 Ų | 226 | 144.3 Ų | 144.3 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | | | cis | -163.2 | 154.8 | 0.7 | 146.5 | -158.4 | -55.6 | -153.5 | 4 | 107.5 | | |
| 127 | R | 25.7 | Very low | 28.8 | Very low | 179 Ų | 179 | 143.6 Ų | 143.6 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | | | cis | -178.8 | 142.3 | -21.3 | 177.9 | -178.1 | 166.4 | -165 | -17.2 | 107.1 | | |
| 128 | E | 26.6 | Very low | 29.4 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 69% | 0.687 | 74% | 0.735 | S | S | * | * | | | trans | 64 | 169.7 | 163.1 | -83.6 | 157.2 | -166.5 | 0 | 0 | 117.9 | | |
| 129 | A | 27.8 | Very low | 29.8 | Very low | 74 Ų | 74 | 135.3 Ų | 135.3 | 61% | 0.612 | 73% | 0.73 | S | S | * | * | | | cis | -165.5 | 152.6 | -17.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 130 | L | 29.9 | Very low | 29.2 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 88% | 0.88 | 74% | 0.74 | S | S | * | * | | | trans | 56.5 | 173.4 | 151.3 | -58.7 | 164.4 | 0 | 0 | 0 | 116.7 | | |
| 131 | S | 31.6 | Very low | 29.5 | Very low | 100 Ų | 100 | 142.5 Ų | 142.5 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | | | cis | -141.4 | 158.2 | -0.8 | -20.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 132 | S | 28.1 | Very low | 29.9 | Very low | 101 Ų | 101 | 143.6 Ų | 143.6 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | | | | 46.4 | 139.6 | 84.5 | -75.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 133 | D | 25.8 | Very low | 30.6 | Very low | 130 Ų | 130 | 143.6 Ų | 143.6 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | | | cis | -154.5 | 179.1 | -0.1 | -133.5 | -73.1 | 0 | 0 | 0 | 114.8 | | |
| 134 | S | 28.1 | Very low | 31 | Very low | 80 Ų | 80 | 149 Ų | 149 | 56% | 0.559 | 75% | 0.746 | S | S | * | * | | | trans | -55.8 | 167.6 | 169.9 | 58.1 | 0 | 0 | 0 | 0 | 116.1 | | |
| 135 | F | 28.4 | Very low | 31.2 | Very low | 190 Ų | 190 | 145.3 Ų | 145.3 | 83% | 0.833 | 74% | 0.744 | S | S | * | * | | | trans | -161.8 | 133.2 | 130.4 | -92.2 | -60.2 | 0 | 0 | 0 | 113 | | |
| 136 | L | 31.1 | Very low | 31.8 | Very low | 142 Ų | 142 | 141 Ų | 141 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | | | trans | -3.5 | 149 | 152.6 | -50.3 | 170.8 | 0 | 0 | 0 | 118.3 | | |
| 137 | F | 30.1 | Very low | 32.1 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 80% | 0.798 | 74% | 0.743 | S | S | * | * | | | | -161.3 | 164.8 | 50.2 | -143.8 | -87.2 | 0 | 0 | 0 | 112.6 | | |
| 138 | S | 37.3 | Very low | 32.9 | Very low | 102 Ų | 102 | 139.5 Ų | 139.5 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | | | trans | -136.4 | 128.6 | 171.2 | 178.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 139 | P | 38.3 | Very low | 33.2 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | | | trans | -104.1 | 113.6 | 167 | 0 | 21.7 | 0 | 0 | 0 | 112.8 | | |
| 140 | R | 31.7 | Very low | 33.9 | Very low | 212 Ų | 212 | 140.4 Ų | 140.4 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | | | trans | 22.6 | 116.9 | 137.7 | -67.6 | 170.5 | -176.4 | 151.6 | 1.3 | 117.7 | | |
| 141 | D | 31.8 | Very low | 34.5 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | | | | 67.1 | 124.3 | 76.2 | -66.3 | -51.7 | 0 | 0 | 0 | 114.3 | | |
| 142 | F | 37.1 | Very low | 34.4 | Very low | 183 Ų | 183 | 140.4 Ų | 140.4 | 80% | 0.803 | 75% | 0.751 | S | S | * | * | | | | -176.7 | 137 | 114.7 | -98.7 | -54.2 | 0 | 0 | 0 | 114.1 | | |
| 143 | L | 44.3 | Very low | 34.4 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 73% | 0.728 | 75% | 0.751 | S | S | * | * | | | trans | 65.3 | 145.2 | 150.6 | -58.1 | 167.5 | 0 | 0 | 0 | 118.8 | | |
| 144 | M | 36.8 | Very low | 35.2 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | | | cis | -170.9 | 149.8 | -18.7 | -173.5 | 157.8 | 55.4 | 0 | 0 | 107.1 | | |
| 145 | G | 32.7 | Very low | 35.3 | Very low | 69 Ų | 69 | 143.2 Ų | 143.2 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | cis | -165.9 | 178.6 | -1.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 146 | S | 38.8 | Very low | 35.3 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | | | trans | -86.3 | 170.3 | -176.1 | -44.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 147 | Y | 32.8 | Very low | 35.2 | Very low | 217 Ų | 217 | 139 Ų | 139 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | | | trans | -160 | 102.3 | 133.8 | -104.2 | -68.4 | 0 | 0 | 0 | 113.6 | | |
| 148 | I | 42 | Very low | 35.2 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | | | trans | 55.3 | 139 | 143.9 | -59.9 | 179.6 | 0 | 0 | 0 | 119.4 | | |
| 149 | G | 33.4 | Very low | 34.8 | Very low | 68 Ų | 68 | 134.2 Ų | 134.2 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | | | cis | -159.1 | -175.1 | 13 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 150 | K | 41.4 | Very low | 34.5 | Very low | 172 Ų | 172 | 140.4 Ų | 140.4 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -94.3 | 175.6 | -164.7 | -48.2 | -174.5 | -167.3 | 169.1 | 0 | 115.1 | E152 | K150-E152 WeakPolarHBondContact CD-OE2 3.43Å; K150-E152 IonicContact NZ-OE2 2.82Å; K150-E152 PolarHBondContact NZ-OE2 3.18Å |
| 151 | P | 42.4 | Very low | 34.7 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | | -117.8 | 141.2 | 85 | 36.1 | -34.8 | 0 | 0 | 0 | 112.6 | | |
| 152 | E | 29.2 | Very low | 35 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 66% | 0.664 | 79% | 0.787 | S | S | * | * | | | cis | 79.1 | 103.9 | 45.2 | -154 | 66 | -152.4 | 0 | 0 | 112.4 | K150 | K150-E152 WeakPolarHBondContact CD-OE2 3.43Å; K150-E152 IonicContact NZ-OE2 2.82Å; K150-E152 PolarHBondContact NZ-OE2 3.18Å |
| 153 | S | 29.2 | Very low | 35.3 | Very low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | trans | -156.8 | 132.1 | 177.8 | 49.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 154 | P | 41.8 | Very low | 35.5 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | | | trans | -86.9 | 151.2 | -177.9 | 33.4 | -34.6 | 0 | 0 | 0 | 113.1 | | |
| 155 | T | 30.1 | Very low | 36.1 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | | | trans | -117.7 | 131.4 | -179 | -64.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 156 | A | 29.6 | Very low | 37 | Very low | 92 Ų | 92 | 135.1 Ų | 135.1 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | | | trans | -163.9 | 120.3 | 155 | 0 | 0 | 0 | 0 | 0 | 105.1 | | |
| 157 | D | 28.3 | Very low | 37.5 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | cis | 62.6 | 130.6 | 41.3 | -128.4 | 1.6 | 0 | 0 | 0 | 112.8 | | |
| 158 | S | 30.2 | Very low | 38.4 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | | | cis | -141.3 | 163.3 | 6.3 | 66.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 159 | G | 28.8 | Very low | 38.8 | Very low | 69 Ų | 69 | 130.3 Ų | 130.3 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | | | trans | -172.8 | 72.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 160 | R | 32.4 | Very low | 39.7 | Very low | 244 Ų | 244 | 132.7 Ų | 132.7 | 92% | 0.921 | 74% | 0.739 | S | S | * | * | | | trans | -32.9 | 116.8 | -180 | 175.6 | -172.4 | -93.2 | -119.4 | 1.6 | 114.2 | | |
| 161 | P | 36.3 | Very low | 40.2 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 74% | 0.74 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 136.6 | 174.6 | 30.3 | -33.9 | 0 | 0 | 0 | 111.7 | | |
| 162 | R | 36.9 | Very low | 41 | Very low | 247 Ų | 247 | 133.4 Ų | 133.4 | 93% | 0.932 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 129.5 | 167.7 | -169.4 | 171.8 | -176.7 | 130.8 | -0.7 | 109.2 | | |
| 163 | A | 43.4 | Very low | 41.9 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 84% | 0.835 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -62.5 | 150.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 164 | G | 49 | Very low | 43 | Very low | 80 Ų | 80 | 136.8 Ų | 136.8 | 83% | 0.825 | 72% | 0.724 | S | S | * | * | | | trans | 97.2 | 51.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 165 | R | 49 | Very low | 43.5 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 60% | 0.6 | 72% | 0.718 | S | S | * | * | | | trans | -135.1 | 147.5 | 161.4 | -101.3 | -171.5 | 176.8 | -175.2 | 1 | 111.6 | E173 | R165-E173 IonicContact CZ-OE1 2.72Å; R165-E173 IonicContact NH1-OE1 2.75Å; R165-E173 PolarHBondContact NH1-OE1 3.16Å; R165-E173 IonicContact NH1-OE2 3.77Å; R165-E173 PolarHBondContact NH1-OE2 2.97Å |
| 166 | N | 52.6 | Low | 44.3 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 56% | 0.556 | 71% | 0.709 | S | S | * | * | | | trans | -73.2 | 145.8 | -178.7 | -46.7 | -76 | 0 | 0 | 0 | 110.6 | R168 D169 Q170 | N166-R168 PolarHBondContact O-N 3.23Å; N166-R168 VanDerWaalsContact O-N 3.13Å; N166-D169 WeakPolarHBondContact CB-OD2 3.26Å; N166-D169 PolarHBondContact ND2-OD2 3.23Å; N166-D169 PolarHBondContact O-N 3.05Å; N166-Q170 PolarHBondContact O-N 2.89Å |
| 167 | P | 49.5 | Very low | 44.8 | Very low | 112 Ų | 112 | 140 Ų | 140 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -61 | -25.8 | 177.9 | 23.9 | -34 | 0 | 0 | 0 | 113 | D169 L171 | P167-D169 VanDerWaalsContact C-N 3.29Å; P167-D169 PolarHBondContact O-N 3.35Å; P167-L171 PolarHBondContact O-N 2.88Å |
| 168 | R | 51.2 | Low | 45.4 | Very low | 210 Ų | 210 | 137.7 Ų | 137.7 | 79% | 0.792 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -67.8 | -27.2 | 176.1 | -156.4 | 175.8 | -166 | 122.9 | 3.9 | 113.3 | N166 R172 | N166-R168 PolarHBondContact O-N 3.23Å; N166-R168 VanDerWaalsContact O-N 3.13Å; R168-R172 PolarHBondContact O-N 3.01Å |
| 169 | D | 50.3 | Low | 45.7 | Very low | 61 Ų | 61 | 140 Ų | 140 | 33% | 0.326 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -84.1 | -39 | -177.9 | -60 | -41.3 | 0 | 0 | 0 | 111.2 | N166 P167 L171 R172 E173 | N166-D169 WeakPolarHBondContact CB-OD2 3.26Å; N166-D169 PolarHBondContact ND2-OD2 3.23Å; N166-D169 PolarHBondContact O-N 3.05Å; P167-D169 VanDerWaalsContact C-N 3.29Å; P167-D169 PolarHBondContact O-N 3.35Å; D169-L171 VanDerWaalsContact C-N 3.27Å; D169-L171 PolarHBondContact O-N 2.88Å; D169-R172 PolarHBondContact O-N 3.21Å; D169-E173 WeakPolarHBondContact O-CB 3.31Å; D169-E173 PolarHBondContact O-N 3.46Å |
| 170 | Q | 52.6 | Low | 46 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 56% | 0.556 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -58.4 | -38.3 | 171 | -78.5 | -171 | -11.7 | 0 | 0 | 112.2 | N166 E173 R174 | N166-Q170 PolarHBondContact O-N 2.89Å; Q170-E173 PolarHBondContact O-N 3.49Å; Q170-R174 WeakPolarHBondContact O-CB 3.48Å; Q170-R174 WeakPolarHBondContact O-CG 3.47Å; Q170-R174 PolarHBondContact O-N 3.07Å |
| 171 | L | 51.9 | Low | 46.1 | Very low | 117 Ų | 117 | 138 Ų | 138 | 61% | 0.613 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -65.6 | -41.1 | 177.1 | -158 | 78 | 0 | 0 | 0 | 111.7 | P167 D169 L175 | P167-L171 PolarHBondContact O-N 2.88Å; D169-L171 VanDerWaalsContact C-N 3.27Å; D169-L171 PolarHBondContact O-N 2.88Å; L171-L175 HydrophobicContact CG-CD1 4.29Å; L171-L175 WeakPolarHBondContact O-CB 2.97Å; L171-L175 VanDerWaalsContact O-CG 3.29Å; L171-L175 WeakPolarHBondContact O-CG 3.36Å; L171-L175 PolarHBondContact O-N 3.39Å; L171-L175 VanDerWaalsContact O-N 3.1Å |
| 172 | R | 57.8 | Low | 46 | Very low | 194 Ų | 194 | 139.3 Ų | 139.3 | 73% | 0.732 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -63.2 | -40.8 | 171.6 | -85.4 | -178.1 | 60.6 | 132.6 | -2.6 | 112.1 | R168 D169 L175 A176 | R168-R172 PolarHBondContact O-N 3.01Å; D169-R172 PolarHBondContact O-N 3.21Å; R172-L175 PolarHBondContact O-N 2.83Å; R172-A176 WeakPolarHBondContact O-CB 3.3Å; R172-A176 PolarHBondContact O-N 3.5Å |
| 173 | E | 49 | Very low | 45.9 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 45% | 0.449 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -70.8 | -33.4 | -177.6 | -164.2 | 159.8 | -129.5 | 0 | 0 | 112.4 | R165 D169 Q170 | R165-E173 IonicContact CZ-OE1 2.72Å; R165-E173 IonicContact NH1-OE1 2.75Å; R165-E173 PolarHBondContact NH1-OE1 3.16Å; R165-E173 IonicContact NH1-OE2 3.77Å; R165-E173 PolarHBondContact NH1-OE2 2.97Å; D169-E173 WeakPolarHBondContact O-CB 3.31Å; D169-E173 PolarHBondContact O-N 3.46Å; Q170-E173 PolarHBondContact O-N 3.49Å |
| 174 | R | 51.4 | Low | 45.5 | Very low | 219 Ų | 219 | 138 Ų | 138 | 83% | 0.826 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -69.9 | -35.3 | 169.8 | -76.1 | -73.8 | -171 | 153.9 | 2.1 | 113.1 | Q170 | Q170-R174 WeakPolarHBondContact O-CB 3.48Å; Q170-R174 WeakPolarHBondContact O-CG 3.47Å; Q170-R174 PolarHBondContact O-N 3.07Å |
| 175 | L | 53.5 | Low | 45.1 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 75% | 0.749 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -85.7 | -9.8 | 179.2 | -68.5 | 170.2 | 0 | 0 | 0 | 114.2 | L171 R172 | L171-L175 HydrophobicContact CG-CD1 4.29Å; L171-L175 WeakPolarHBondContact O-CB 2.97Å; L171-L175 VanDerWaalsContact O-CG 3.29Å; L171-L175 WeakPolarHBondContact O-CG 3.36Å; L171-L175 PolarHBondContact O-N 3.39Å; L171-L175 VanDerWaalsContact O-N 3.1Å; R172-L175 PolarHBondContact O-N 2.83Å |
| 176 | A | 45.6 | Very low | 44.4 | Very low | 77 Ų | 77 | 139.3 Ų | 139.3 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -104.1 | 3.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R172 P178 | R172-A176 WeakPolarHBondContact O-CB 3.3Å; R172-A176 PolarHBondContact O-N 3.5Å; A176-P178 WeakPolarHBondContact O-CD 3.26Å |
| 177 | R | 41.2 | Very low | 43.7 | Very low | 208 Ų | 208 | 145.9 Ų | 145.9 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 117.7 | 171.3 | -76.1 | -170.3 | 173.9 | -154 | -1.7 | 110.5 | | |
| 178 | P | 40.6 | Very low | 42.9 | Very low | 105 Ų | 105 | 150.6 Ų | 150.6 | 68% | 0.682 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 137.1 | 162.4 | -15 | 30 | 0 | 0 | 0 | 109.2 | A176 | A176-P178 WeakPolarHBondContact O-CD 3.26Š|
| 179 | N | 37.3 | Very low | 42.1 | Very low | 162 Ų | 162 | 146.8 Ų | 146.8 | 87% | 0.866 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 141.8 | 168.7 | -77.1 | -51.1 | 0 | 0 | 0 | 110 | | |
| 180 | H | 34 | Very low | 41.2 | Very low | 170 Ų | 170 | 147.8 Ų | 147.8 | 79% | 0.787 | 73% | 0.732 | S | S | * | * | | | trans | -117.2 | 165.5 | 167.6 | -72.1 | -6.8 | 0 | 0 | 0 | 108.5 | | |
| 181 | A | 34.8 | Very low | 40.2 | Very low | 99 Ų | 99 | 150.7 Ų | 150.7 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | | | trans | 67.5 | 74.5 | -177 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 182 | V | 35.1 | Very low | 39.3 | Very low | 142 Ų | 142 | 151.3 Ų | 151.3 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | | | | -116.4 | 125.5 | 125.7 | 179.4 | 0 | 0 | 0 | 0 | 106.4 | | |
| 183 | Y | 33.5 | Very low | 38.1 | Very low | 217 Ų | 217 | 145.8 Ų | 145.8 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 126.1 | -171.2 | -174.5 | -96 | 0 | 0 | 0 | 110.6 | | |
| 184 | T | 36.1 | Very low | 37.3 | Very low | 104 Ų | 104 | 150.4 Ų | 150.4 | 64% | 0.638 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 126.1 | -177.3 | 45 | 0 | 0 | 0 | 0 | 112.6 | | |
| 185 | P | 40.2 | Very low | 36.8 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 126.5 | 165.2 | 31.6 | -30.4 | 0 | 0 | 0 | 110.7 | | |
| 186 | N | 34.4 | Very low | 35.8 | Very low | 146 Ų | 146 | 148 Ų | 148 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 131.6 | 180 | -89.7 | -93 | 0 | 0 | 0 | 112.6 | | |
| 187 | R | 37.1 | Very low | 35.1 | Very low | 242 Ų | 242 | 148.2 Ų | 148.2 | 91% | 0.913 | 79% | 0.794 | S | S | * | * | | | trans | -159.4 | 146.1 | 157.3 | -90.9 | -168.6 | 173.5 | 177.9 | -2.9 | 109.6 | | |
| 188 | R | 33.9 | Very low | 34.8 | Very low | 211 Ų | 211 | 143 Ų | 143 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | | | cis | -170.1 | 131.2 | -26.3 | -147.5 | -171.3 | 172.3 | -148.7 | -0.3 | 108.3 | | |
| 189 | L | 33.1 | Very low | 35.2 | Very low | 131 Ų | 131 | 144 Ų | 144 | 69% | 0.686 | 80% | 0.802 | S | S | * | * | | | trans | 57.4 | 145.4 | 155.5 | -66.2 | 161.8 | 0 | 0 | 0 | 122 | | |
| 190 | S | 31.7 | Very low | 35 | Very low | 81 Ų | 81 | 140 Ų | 140 | 57% | 0.566 | 80% | 0.799 | S | S | * | * | | | trans | 11.9 | 151.6 | 138.7 | -40.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 191 | F | 33.2 | Very low | 34.9 | Very low | 181 Ų | 181 | 142.6 Ų | 142.6 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | cis | -156.8 | 139.7 | 44.9 | -73 | -83.9 | 0 | 0 | 0 | 109.2 | | |
| 192 | T | 32.6 | Very low | 35 | Very low | 130 Ų | 130 | 145.4 Ų | 145.4 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | | | | 54.5 | 122.7 | 79.5 | 65.9 | 0 | 0 | 0 | 0 | 118 | | |
| 193 | G | 32 | Very low | 34.8 | Very low | 77 Ų | 77 | 144.5 Ų | 144.5 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | | | trans | 88 | 160.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 194 | E | 31.4 | Very low | 35 | Very low | 193 Ų | 193 | 140.3 Ų | 140.3 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | | | cis | -158.3 | -175.7 | -27.4 | -163.4 | 150.7 | -153.9 | 0 | 0 | 108.4 | | |
| 195 | T | 41.4 | Very low | 35.2 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | | | trans | -94.3 | 160.3 | -172.8 | 52 | 0 | 0 | 0 | 0 | 115.5 | | |
| 196 | L | 33.3 | Very low | 35.6 | Very low | 183 Ų | 183 | 141.8 Ų | 141.8 | 96% | 0.958 | 80% | 0.797 | S | S | * | * | | | trans | 91.3 | 126.6 | 159.7 | -160.3 | 69.3 | 0 | 0 | 0 | 116.6 | | |
| 197 | G | 30.1 | Very low | 35.8 | Very low | 80 Ų | 80 | 142 Ų | 142 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | 170.6 | 89 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 198 | A | 36.1 | Very low | 35.9 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | trans | -104.9 | 161.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 199 | P | 47.6 | Very low | 36.1 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | | | cis | -136.7 | 173.6 | 24.3 | 41.6 | -24.1 | 0 | 0 | 0 | 116.9 | | |
| 200 | G | 33.1 | Very low | 36.3 | Very low | 78 Ų | 78 | 142.4 Ų | 142.4 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | -139.6 | 143.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 201 | R | 33.3 | Very low | 37.2 | Very low | 223 Ų | 223 | 144.4 Ų | 144.4 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | | | trans | -112.6 | 144.8 | -164.5 | -95.9 | -169.7 | 172.5 | -164 | 0.3 | 114.7 | | |
| 202 | F | 35 | Very low | 37.9 | Very low | 159 Ų | 159 | 143.6 Ų | 143.6 | 70% | 0.697 | 81% | 0.812 | S | S | * | * | | | trans | 79.9 | 121.4 | 144.7 | -88.8 | -127.2 | 0 | 0 | 0 | 121.7 | | |
| 203 | T | 32 | Very low | 38.4 | Very low | 123 Ų | 123 | 147 Ų | 147 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | | | trans | 66 | 154.7 | 142.6 | 58.8 | 0 | 0 | 0 | 0 | 118.7 | | |
| 204 | V | 37.6 | Very low | 38.5 | Very low | 128 Ų | 128 | 151.6 Ų | 151.6 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | | | cis | -128.6 | 151.7 | 9.5 | 175 | 0 | 0 | 0 | 0 | 110.1 | | |
| 205 | T | 40.5 | Very low | 39 | Very low | 123 Ų | 123 | 150.3 Ų | 150.3 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | | | trans | -113.1 | 153.3 | 163.8 | 54.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 206 | P | 48 | Very low | 38.7 | Very low | 133 Ų | 133 | 147.7 Ų | 147.7 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | | | trans | -118.2 | 100.5 | 143.4 | 33.1 | -25.7 | 0 | 0 | 0 | 110.6 | | |
| 207 | L | 38.6 | Very low | 38.8 | Very low | 150 Ų | 150 | 145.8 Ų | 145.8 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | | | trans | -79.2 | 148.1 | 161.6 | 179.3 | 72.9 | 0 | 0 | 0 | 109.3 | | |
| 208 | R | 38.4 | Very low | 39.2 | Very low | 213 Ų | 213 | 147.1 Ų | 147.1 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | 144.3 | 150.6 | 155.6 | -81.4 | 162.2 | -151.4 | -131.2 | 10.6 | 110.3 | | |
| 209 | H | 39.2 | Very low | 39.5 | Very low | 159 Ų | 159 | 147.6 Ų | 147.6 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | | | cis | -143.1 | 149.4 | -9.4 | -103.5 | -69.5 | 0 | 0 | 0 | 107.9 | | |
| 210 | Y | 37.9 | Very low | 39.1 | Very low | 220 Ų | 220 | 147.6 Ų | 147.6 | 86% | 0.863 | 80% | 0.804 | S | S | * | * | | | trans | -94.1 | 155.2 | 156.9 | -78.5 | -80.7 | 0 | 0 | 0 | 109.6 | | |
| 211 | P | 50.4 | Low | 39.3 | Very low | 123 Ų | 123 | 146.8 Ų | 146.8 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | | | | -130 | 163.1 | 120.7 | 37.4 | -31.1 | 0 | 0 | 0 | 113.6 | | |
| 212 | L | 47.1 | Very low | 39.4 | Very low | 165 Ų | 165 | 142.4 Ų | 142.4 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | | | trans | -94.7 | 150.8 | 173.2 | -67.7 | 163.1 | 0 | 0 | 0 | 110.6 | | |
| 213 | Q | 43.1 | Very low | 39.4 | Very low | 200 Ų | 200 | 142.4 Ų | 142.4 | 94% | 0.935 | 80% | 0.8 | S | S | * | * | | | trans | -153 | 154.4 | 152.7 | -111.6 | 168.8 | 13.8 | 0 | 0 | 110.5 | | |
| 214 | Q | 34.1 | Very low | 40.3 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -137.5 | 160.9 | -173 | -92.4 | -172.3 | -84.7 | 0 | 0 | 111.4 | | |
| 215 | L | 41.3 | Very low | 40.8 | Very low | 166 Ų | 166 | 140.7 Ų | 140.7 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | | | trans | 70.8 | 138.5 | 160.4 | -99.1 | 64.2 | 0 | 0 | 0 | 118.3 | | |
| 216 | G | 36.8 | Very low | 40.7 | Very low | 74 Ų | 74 | 141 Ų | 141 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | | | trans | 175.7 | 102.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 217 | V | 35 | Very low | 40.2 | Very low | 143 Ų | 143 | 144.6 Ų | 144.6 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | | | trans | -52.2 | 147.6 | 172.8 | -75 | 0 | 0 | 0 | 0 | 113.4 | | |
| 218 | S | 38.3 | Very low | 40.2 | Very low | 108 Ų | 108 | 148.7 Ų | 148.7 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | | | cis | 85.4 | 120 | 42.3 | -172.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 219 | S | 41.9 | Very low | 40.1 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | -154.3 | 131 | 160.3 | -163.4 | 0 | 0 | 0 | 0 | 106.5 | | |
| 220 | V | 39.9 | Very low | 40 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | | | cis | 71.7 | 125.8 | 42.7 | -173.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 221 | G | 37.6 | Very low | 39.9 | Very low | 61 Ų | 61 | 139 Ų | 139 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | | | cis | -157.6 | 165.8 | 0.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 222 | V | 34 | Very low | 39.2 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | | | | 85.2 | 88 | 87.1 | 170.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 223 | L | 35.9 | Very low | 38.9 | Very low | 159 Ų | 159 | 146.9 Ų | 146.9 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | | | | 87 | 173.2 | 108.2 | -75.8 | 174.5 | 0 | 0 | 0 | 115 | | |
| 224 | P | 50.9 | Low | 38.7 | Very low | 109 Ų | 109 | 146.4 Ų | 146.4 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | | | | -121 | -151.2 | -55.9 | 41.6 | -25.9 | 0 | 0 | 0 | 109.9 | | |
| 225 | P | 47 | Very low | 38.9 | Very low | 106 Ų | 106 | 144.9 Ų | 144.9 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | | | cis | -137.1 | 163.4 | -9.8 | 42.1 | -24.2 | 0 | 0 | 0 | 118.2 | | |
| 226 | V | 38.4 | Very low | 38.8 | Very low | 130 Ų | 130 | 144.5 Ų | 144.5 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | | | trans | 60.4 | 120 | 140.4 | 169 | 0 | 0 | 0 | 0 | 118.4 | | |
| 227 | K | 37.6 | Very low | 38.9 | Very low | 208 Ų | 208 | 148.3 Ų | 148.3 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | | | | -146.6 | -172.5 | 64.6 | -72.7 | -176.4 | -179.9 | 178.4 | 0 | 114.4 | | |
| 228 | W | 38.9 | Very low | 39 | Very low | 237 Ų | 237 | 146.9 Ų | 146.9 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | | | trans | -104.3 | 176 | -158.6 | -152 | -81.6 | 0 | 0 | 0 | 115.1 | | |
| 229 | D | 36.2 | Very low | 39 | Very low | 121 Ų | 121 | 147.5 Ų | 147.5 | 65% | 0.647 | 79% | 0.789 | S | S | * | * | | | trans | 72.1 | 146 | 170.3 | -85.9 | -32.6 | 0 | 0 | 0 | 119.9 | | |
| 230 | G | 38.7 | Very low | 38.7 | Very low | 59 Ų | 59 | 153.6 Ų | 153.6 | 61% | 0.608 | 80% | 0.795 | S | S | * | * | | | cis | -170.8 | 146.6 | -3.6 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 231 | F | 35.7 | Very low | 38.3 | Very low | 207 Ų | 207 | 155 Ų | 155 | 91% | 0.908 | 80% | 0.798 | S | S | * | * | | | trans | 32 | 107.1 | 163.8 | -88.3 | -96 | 0 | 0 | 0 | 121.9 | | |
| 232 | R | 35.9 | Very low | 38.4 | Very low | 244 Ų | 244 | 157 Ų | 157 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | | | trans | -169.6 | 135.7 | 140 | 43 | -157 | -73.8 | -142.9 | -2 | 116 | | |
| 233 | K | 39.3 | Very low | 39.1 | Very low | 211 Ų | 211 | 156.4 Ų | 156.4 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | | | trans | 15.4 | 123.1 | 160.6 | -66.4 | -179.5 | 176.1 | 178.2 | 0 | 121.2 | | |
| 234 | K | 39.9 | Very low | 39 | Very low | 190 Ų | 190 | 153.7 Ų | 153.7 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | | | trans | -163 | 130.9 | 140.1 | 52.7 | -169.3 | 174.6 | -175 | 0 | 107.7 | | |
| 235 | N | 38.6 | Very low | 38.2 | Very low | 143 Ų | 143 | 153.1 Ų | 153.1 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | | | | 55.2 | 112.5 | 65.8 | -163.9 | 15.4 | 0 | 0 | 0 | 112.7 | | |
| 236 | I | 37.6 | Very low | 37.6 | Very low | 158 Ų | 158 | 156.3 Ų | 156.3 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | | | trans | -138.2 | 133.6 | 179.7 | -62.5 | -178.2 | 0 | 0 | 0 | 108.6 | | |
| 237 | L | 39.8 | Very low | 37.3 | Very low | 153 Ų | 153 | 155 Ų | 155 | 80% | 0.801 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 167.4 | -178.9 | -76.2 | 158.7 | 0 | 0 | 0 | 112 | | |
| 238 | S | 37.4 | Very low | 38.1 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 143.6 | -179.3 | -48 | 0 | 0 | 0 | 0 | 114.4 | | |
| 239 | P | 38.5 | Very low | 37.7 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 139.2 | 155 | -6.1 | 25 | 0 | 0 | 0 | 111.3 | | |
| 240 | R | 34.7 | Very low | 38 | Very low | 236 Ų | 236 | 145.6 Ų | 145.6 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | | | trans | -134.6 | 114.4 | 170.2 | 175.9 | -177.7 | -179.1 | 166.3 | 0.1 | 107.5 | | |
| 241 | N | 32.1 | Very low | 37.9 | Very low | 157 Ų | 157 | 149.1 Ų | 149.1 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | | | trans | -126.9 | 137.4 | -172.9 | -83.4 | -20.5 | 0 | 0 | 0 | 113.1 | | |
| 242 | S | 39.8 | Very low | 38.4 | Very low | 103 Ų | 103 | 149 Ų | 149 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | | | trans | 177.2 | 154.8 | 178.6 | 54.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 243 | P | 49.2 | Very low | 38.6 | Very low | 119 Ų | 119 | 144.8 Ų | 144.8 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | cis | -138.9 | -174.4 | -6.4 | 41.6 | -23.5 | 0 | 0 | 0 | 115.8 | | |
| 244 | A | 33.9 | Very low | 38.8 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | | | trans | 81.7 | 125.7 | 140.1 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 245 | A | 32.4 | Very low | 38.8 | Very low | 98 Ų | 98 | 141 Ų | 141 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | | | trans | -147.4 | 127.5 | 142.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 246 | L | 35.4 | Very low | 38.6 | Very low | 173 Ų | 173 | 140.4 Ų | 140.4 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | | | trans | -0.9 | 144.1 | 162.5 | -52.6 | 179 | 0 | 0 | 0 | 119 | | |
| 247 | S | 31.8 | Very low | 38.3 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | | | cis | 131.5 | 160.9 | 25.9 | -172.4 | 0 | 0 | 0 | 0 | 107 | | |
| 248 | P | 54.1 | Low | 38.2 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 71% | 0.708 | 81% | 0.809 | S | S | * | * | | | cis | -134.4 | -165.5 | -32.7 | 34.3 | -12.7 | 0 | 0 | 0 | 114.4 | | |
| 249 | V | 30.2 | Very low | 37.9 | Very low | 139 Ų | 139 | 147.7 Ų | 147.7 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | | | trans | 81.8 | 147.6 | 158.5 | 180 | 0 | 0 | 0 | 0 | 119.2 | | |
| 250 | T | 43.5 | Very low | 37.6 | Very low | 120 Ų | 120 | 149.5 Ų | 149.5 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | | | trans | -82.8 | 153.4 | -161.6 | 53.8 | 0 | 0 | 0 | 0 | 117.1 | | |
| 251 | V | 35.7 | Very low | 37.6 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | | | | -139.9 | 147.1 | 120.9 | -170.6 | 0 | 0 | 0 | 0 | 109.7 | I253 | V251-I253 HydrophobicContact CG1-CG1 4.29Š|
| 252 | K | 46.7 | Very low | 37.5 | Very low | 204 Ų | 204 | 141.5 Ų | 141.5 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | | | trans | -99.9 | 113.7 | 177.7 | 169.2 | -171.6 | 171.4 | -172.4 | 0 | 110 | | |
| 253 | I | 41.1 | Very low | 37.2 | Very low | 155 Ų | 155 | 142 Ų | 142 | 80% | 0.795 | 81% | 0.805 | S | S | * | * | | | trans | -122.9 | 142.1 | 175 | -57.4 | -179 | 0 | 0 | 0 | 109.6 | V251 | V251-I253 HydrophobicContact CG1-CG1 4.29Š|
| 254 | A | 43.4 | Very low | 36.2 | Very low | 87 Ų | 87 | 142.6 Ų | 142.6 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 166.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 255 | R | 38.4 | Very low | 36 | Very low | 235 Ų | 235 | 147.4 Ų | 147.4 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 131.8 | 170.2 | -66 | 179 | -179.1 | 138.7 | 1.7 | 109.9 | | |
| 256 | P | 34.9 | Very low | 35.9 | Very low | 130 Ų | 130 | 151.6 Ų | 151.6 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 131.2 | 160.4 | -19.7 | 33.4 | 0 | 0 | 0 | 110 | | |
| 257 | D | 30.6 | Very low | 35.8 | Very low | 153 Ų | 153 | 149.5 Ų | 149.5 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 157.6 | -173.6 | -108.3 | -44.2 | 0 | 0 | 0 | 114.1 | R259 | D257-R259 PolarHBondContact O-N 3.29Š|
| 258 | H | 38 | Very low | 35.5 | Very low | 186 Ų | 186 | 151 Ų | 151 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | | | trans | -70.4 | 115.8 | 170.9 | -63.8 | -76.1 | 0 | 0 | 0 | 111 | | |
| 259 | R | 30.9 | Very low | 34.4 | Very low | 239 Ų | 239 | 150 Ų | 150 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | | | trans | -122.1 | 103.4 | 162.9 | -82.8 | -170 | 172.7 | -172.7 | -0.7 | 111.6 | D257 | D257-R259 PolarHBondContact O-N 3.29Š|
| 260 | N | 33.9 | Very low | 34.8 | Very low | 159 Ų | 159 | 147.2 Ų | 147.2 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | | | trans | -79.8 | 127.8 | 159.4 | -69.5 | -14.2 | 0 | 0 | 0 | 109.2 | S262 | N260-S262 PolarHBondContact O-N 2.92Š|
| 261 | P | 34 | Very low | 34.1 | Very low | 128 Ų | 128 | 149 Ų | 149 | 83% | 0.831 | 82% | 0.823 | S | S | * | * | | | trans | -81 | 106 | 155.4 | 31.3 | -28.8 | 0 | 0 | 0 | 109.4 | | |
| 262 | S | 30.3 | Very low | 33.9 | Very low | 98 Ų | 98 | 148.6 Ų | 148.6 | 69% | 0.685 | 82% | 0.82 | S | S | * | * | | | trans | -80.7 | 155.5 | 147.4 | 65.9 | 0 | 0 | 0 | 0 | 108.1 | N260 | N260-S262 PolarHBondContact O-N 2.92Š|
| 263 | V | 32.1 | Very low | 33.5 | Very low | 113 Ų | 113 | 150.5 Ų | 150.5 | 69% | 0.685 | 82% | 0.822 | S | S | * | * | | | cis | -155.5 | 165.7 | 30.4 | -128.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 264 | N | 28.6 | Very low | 33.3 | Very low | 131 Ų | 131 | 147.5 Ų | 147.5 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | | | trans | 48.9 | 113.9 | 147.2 | -57.5 | -20.1 | 0 | 0 | 0 | 120.2 | | |
| 265 | H | 30.1 | Very low | 33.6 | Very low | 202 Ų | 202 | 148.7 Ų | 148.7 | 94% | 0.935 | 82% | 0.823 | S | S | * | * | | | | -132.9 | 150.4 | 121.2 | -100.3 | -88.1 | 0 | 0 | 0 | 109.4 | | |
| 266 | Q | 30.4 | Very low | 34.4 | Very low | 187 Ų | 187 | 140.8 Ų | 140.8 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -91 | 174.3 | -176 | -70.6 | 178.8 | -8.2 | 0 | 0 | 112.2 | | |
| 267 | S | 32.5 | Very low | 35.7 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | | | trans | -44.4 | 136.4 | -179.8 | -53.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 268 | C | 26.2 | Very low | 37.5 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 91% | 0.905 | 78% | 0.782 | S | S | * | * | | | trans | -135.2 | 153 | 148 | -156.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 269 | A | 30.9 | Very low | 39 | Very low | 89 Ų | 89 | 132.3 Ų | 132.3 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | | | trans | -95 | 149.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 270 | G | 38.8 | Very low | 41.6 | Very low | 80 Ų | 80 | 121.6 Ų | 121.6 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | | | trans | 60.2 | 65.7 | 156 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 271 | L | 28.4 | Very low | 44 | Very low | 158 Ų | 158 | 123.7 Ų | 123.7 | 83% | 0.827 | 73% | 0.732 | S | S | * | * | | | trans | -113.4 | 128.7 | 151.3 | -81.2 | 173.3 | 0 | 0 | 0 | 109.9 | | |
| 272 | T | 32.6 | Very low | 46.3 | Very low | 124 Ų | 124 | 123.4 Ų | 123.4 | 76% | 0.761 | 72% | 0.72 | S | S | * | * | | | trans | 26.5 | 139.4 | 155.4 | 51.2 | 0 | 0 | 0 | 0 | 120.2 | A274 | T272-A274 PolarHBondContact O-N 2.84Š|
| 273 | R | 37.7 | Very low | 48.9 | Very low | 245 Ų | 245 | 120 Ų | 120 | 93% | 0.925 | 70% | 0.696 | S | S | * | * | | | trans | -50.3 | 115.5 | 154.1 | -70.8 | 175.7 | 178.5 | 154.5 | -2.9 | 108.2 | S275 | R273-S275 PolarHBondContact O-N 3.35Š|
| 274 | A | 35.8 | Very low | 51.6 | Low | 91 Ų | 91 | 117.6 Ų | 117.6 | 75% | 0.752 | 68% | 0.682 | S | S | * | * | | | trans | -56.4 | 129.9 | 148.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | T272 A276 | T272-A274 PolarHBondContact O-N 2.84Å; A274-A276 PolarHBondContact O-N 3.37Å |
| 275 | S | 49.8 | Very low | 54.2 | Low | 113 Ų | 113 | 116.1 Ų | 116.1 | 79% | 0.79 | 67% | 0.673 | S | S | * | * | | | trans | -58.6 | 113.6 | 180 | 47.4 | 0 | 0 | 0 | 0 | 108.6 | R273 D277 | R273-S275 PolarHBondContact O-N 3.35Å; S275-D277 PolarHBondContact O-N 3.29Å |
| 276 | A | 55.5 | Low | 56.5 | Low | 69 Ų | 69 | 115 Ų | 115 | 57% | 0.57 | 66% | 0.661 | S | S | * | * | | | trans | -58.8 | 124.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107 | A274 | A274-A276 PolarHBondContact O-N 3.37Š|
| 277 | D | 62.6 | Low | 59 | Low | 88 Ų | 88 | 110 Ų | 110 | 47% | 0.471 | 64% | 0.643 | S | S | . | * | | | trans | -51.1 | 123.5 | 178.1 | 163.5 | 26.3 | 0 | 0 | 0 | 109 | S275 C279 S280 S283 | S275-D277 PolarHBondContact O-N 3.29Å; D277-C279 PolarHBondContact O-N 3.16Å; D277-C279 WeakPolarHBondContact OD1-CB 3.41Å; D277-C279 PolarHBondContact OD1-N 3.14Å; D277-S280 VanDerWaalsContact O-CB 3.26Å; D277-S280 WeakPolarHBondContact O-CB 3.28Å; D277-S280 PolarHBondContact O-N 3.34Å; D277-S280 PolarHBondContact OD2-N 3.49Å; D277-S283 WeakPolarHBondContact O-CB 3.34Å |
| 278 | P | 68.9 | Low | 61.2 | Low | 100 Ų | 100 | 109 Ų | 109 | 65% | 0.649 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -23.8 | 179.5 | 25.5 | -34.6 | 0 | 0 | 0 | 112.3 | | |
| 279 | C | 68.8 | Low | 63.6 | Low | 103 Ų | 103 | 111.2 Ų | 111.2 | 70% | 0.696 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 0.4 | 173.2 | -68 | 0 | 0 | 0 | 0 | 113.7 | D277 | D277-C279 PolarHBondContact O-N 3.16Å; D277-C279 WeakPolarHBondContact OD1-CB 3.41Å; D277-C279 PolarHBondContact OD1-N 3.14Å |
| 280 | S | 86.6 | Confident | 65.4 | Low | 14 Ų | 14 | 113.7 Ų | 113.7 | 10% | 0.098 | 62% | 0.617 | C | S | . | * | | | trans | -62.3 | 141.5 | 178 | 101.7 | 0 | 0 | 0 | 0 | 110.1 | D277 E282 S283 V284 | D277-S280 VanDerWaalsContact O-CB 3.26Å; D277-S280 WeakPolarHBondContact O-CB 3.28Å; D277-S280 PolarHBondContact O-N 3.34Å; D277-S280 PolarHBondContact OD2-N 3.49Å; S280-E282 WeakPolarHBondContact CB-OE1 3.36Å; S280-E282 WeakPolarHBondContact CB-OE2 3.43Å; S280-E282 PolarHBondContact O-N 2.93Å; S280-E282 PolarHBondContact OG-OE1 3.27Å; S280-E282 PolarHBondContact OG-OE2 3.03Å; S280-S283 WeakPolarHBondContact O-CB 3.28Å; S280-S283 PolarHBondContact O-N 3.05Å; S280-S283 VanDerWaalsContact OG-CB 3.3Å; S280-S283 WeakPolarHBondContact OG-CB 3.49Å; S280-S283 PolarHBondContact OG-N 3.18Å; S280-V284 PolarHBondContact O-N 3.09Å |
| 281 | R | 83.1 | Confident | 66.8 | Low | 203 Ų | 203 | 113.7 Ų | 113.7 | 77% | 0.766 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62.1 | -33.6 | -175.8 | -173.6 | 179.5 | 175.6 | -149 | -0.3 | 111.3 | L285 | R281-L285 HydrophobicContact CG-CD1 4.01Å; R281-L285 VanDerWaalsContact O-CB 3.23Å; R281-L285 WeakPolarHBondContact O-CB 3.43Å; R281-L285 WeakPolarHBondContact O-CD1 3.26Å; R281-L285 WeakPolarHBondContact O-CG 3.36Å; R281-L285 PolarHBondContact O-N 2.91Å; R281-L285 VanDerWaalsContact O-N 3.09Å |
| 282 | E | 82.9 | Confident | 68.5 | Low | 121 Ų | 121 | 117 Ų | 117 | 57% | 0.565 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -73 | -32.8 | 174.8 | -16.9 | 71.2 | -108.7 | 0 | 0 | 112.6 | S280 R286 | S280-E282 WeakPolarHBondContact CB-OE1 3.36Å; S280-E282 WeakPolarHBondContact CB-OE2 3.43Å; S280-E282 PolarHBondContact O-N 2.93Å; S280-E282 PolarHBondContact OG-OE1 3.27Å; S280-E282 PolarHBondContact OG-OE2 3.03Å; E282-R286 WeakPolarHBondContact O-CB 3.31Å; E282-R286 WeakPolarHBondContact O-CG 3.23Å; E282-R286 PolarHBondContact O-N 2.99Å |
| 283 | S | 85.4 | Confident | 69.1 | Low | 28 Ų | 28 | 118.8 Ų | 118.8 | 20% | 0.196 | 60% | 0.603 | C | S | . | * | H | α-helix | trans | -68.1 | -53.3 | 175.2 | -167.9 | 0 | 0 | 0 | 0 | 110.9 | D277 S280 L285 R286 V287 | D277-S283 WeakPolarHBondContact O-CB 3.34Å; S280-S283 WeakPolarHBondContact O-CB 3.28Å; S280-S283 PolarHBondContact O-N 3.05Å; S280-S283 VanDerWaalsContact OG-CB 3.3Å; S280-S283 WeakPolarHBondContact OG-CB 3.49Å; S280-S283 PolarHBondContact OG-N 3.18Å; S283-L285 VanDerWaalsContact C-N 3.32Å; S283-L285 PolarHBondContact O-N 2.93Å; S283-R286 WeakPolarHBondContact O-CA 3.49Å; S283-R286 WeakPolarHBondContact O-CB 3.39Å; S283-R286 PolarHBondContact O-N 3Å; S283-V287 PolarHBondContact O-N 3.33Å |
| 284 | V | 88.3 | Confident | 69.4 | Low | 62 Ų | 62 | 117 Ų | 117 | 38% | 0.376 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -59.9 | -40.7 | 177.7 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | S280 R286 V287 L288 | S280-V284 PolarHBondContact O-N 3.09Å; V284-R286 VanDerWaalsContact C-N 3.33Å; V284-R286 PolarHBondContact O-N 3.18Å; V284-V287 PolarHBondContact O-N 3.14Å; V284-L288 HydrophobicContact CG1-CD1 3.86Å; V284-L288 HydrophobicContact CG1-CG 4.34Å; V284-L288 WeakPolarHBondContact O-CB 3.48Å; V284-L288 VanDerWaalsContact O-CG 3.3Å; V284-L288 WeakPolarHBondContact O-CG 3.38Å; V284-L288 PolarHBondContact O-N 3.18Å |
| 285 | L | 82.9 | Confident | 69.2 | Low | 100 Ų | 100 | 118.6 Ų | 118.6 | 52% | 0.524 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.7 | -22.6 | 175.1 | -72.3 | 173.2 | 0 | 0 | 0 | 114.1 | R281 S283 K289 | R281-L285 HydrophobicContact CG-CD1 4.01Å; R281-L285 VanDerWaalsContact O-CB 3.23Å; R281-L285 WeakPolarHBondContact O-CB 3.43Å; R281-L285 WeakPolarHBondContact O-CD1 3.26Å; R281-L285 WeakPolarHBondContact O-CG 3.36Å; R281-L285 PolarHBondContact O-N 2.91Å; R281-L285 VanDerWaalsContact O-N 3.09Å; S283-L285 VanDerWaalsContact C-N 3.32Å; S283-L285 PolarHBondContact O-N 2.93Å; L285-K289 VanDerWaalsContact O-CB 3.26Å; L285-K289 WeakPolarHBondContact O-CB 3.41Å; L285-K289 PolarHBondContact O-N 2.83Å |
| 286 | R | 79.1 | Confident | 68.6 | Low | 179 Ų | 179 | 119.5 Ų | 119.5 | 68% | 0.675 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -73.1 | -52.7 | 167.8 | -83.6 | 175.2 | 172.1 | 160.3 | -1 | 110.6 | E282 S283 V284 L288 K289 E290 | E282-R286 WeakPolarHBondContact O-CB 3.31Å; E282-R286 WeakPolarHBondContact O-CG 3.23Å; E282-R286 PolarHBondContact O-N 2.99Å; S283-R286 WeakPolarHBondContact O-CA 3.49Å; S283-R286 WeakPolarHBondContact O-CB 3.39Å; S283-R286 PolarHBondContact O-N 3Å; V284-R286 VanDerWaalsContact C-N 3.33Å; V284-R286 PolarHBondContact O-N 3.18Å; R286-L288 VanDerWaalsContact C-N 3.32Å; R286-L288 PolarHBondContact O-N 2.95Å; R286-K289 CarbonylContact O-C 3.58Å; R286-K289 WeakPolarHBondContact O-CA 3.07Å; R286-K289 WeakPolarHBondContact O-CB 3.15Å; R286-K289 PolarHBondContact O-N 2.96Å; R286-E290 VanDerWaalsContact O-CB 3.31Å; R286-E290 WeakPolarHBondContact O-CB 3.36Å; R286-E290 PolarHBondContact O-N 3.02Å |
| 287 | V | 81.6 | Confident | 67.8 | Low | 81 Ų | 81 | 123.4 Ų | 123.4 | 49% | 0.491 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -59.9 | -40.2 | -178.9 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | S283 V284 K289 E290 S291 | S283-V287 PolarHBondContact O-N 3.33Å; V284-V287 PolarHBondContact O-N 3.14Å; V287-K289 VanDerWaalsContact C-N 3.3Å; V287-K289 PolarHBondContact O-N 3.31Å; V287-E290 PolarHBondContact O-N 3.49Å; V287-S291 VanDerWaalsContact O-CB 3.24Å; V287-S291 WeakPolarHBondContact O-CB 3.41Å; V287-S291 PolarHBondContact O-N 2.85Å; V287-S291 PolarHBondContact O-OG 3.26Å |
| 288 | L | 80.3 | Confident | 66.6 | Low | 106 Ų | 106 | 126.3 Ų | 126.3 | 56% | 0.555 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.2 | -25.9 | 173.6 | -73.4 | 171.4 | 0 | 0 | 0 | 114 | V284 R286 | V284-L288 HydrophobicContact CG1-CD1 3.86Å; V284-L288 HydrophobicContact CG1-CG 4.34Å; V284-L288 WeakPolarHBondContact O-CB 3.48Å; V284-L288 VanDerWaalsContact O-CG 3.3Å; V284-L288 WeakPolarHBondContact O-CG 3.38Å; V284-L288 PolarHBondContact O-N 3.18Å; R286-L288 VanDerWaalsContact C-N 3.32Å; R286-L288 PolarHBondContact O-N 2.95Å |
| 289 | K | 75.8 | Confident | 65.2 | Low | 181 Ų | 181 | 124 Ų | 124 | 79% | 0.787 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -84.5 | -27 | 176.3 | -176 | 177.1 | 178.1 | -178.2 | 0 | 112.4 | L285 R286 V287 | L285-K289 VanDerWaalsContact O-CB 3.26Å; L285-K289 WeakPolarHBondContact O-CB 3.41Å; L285-K289 PolarHBondContact O-N 2.83Å; R286-K289 CarbonylContact O-C 3.58Å; R286-K289 WeakPolarHBondContact O-CA 3.07Å; R286-K289 WeakPolarHBondContact O-CB 3.15Å; R286-K289 PolarHBondContact O-N 2.96Å; V287-K289 VanDerWaalsContact C-N 3.3Å; V287-K289 PolarHBondContact O-N 3.31Å |
| 290 | E | 69.3 | Low | 63.6 | Low | 141 Ų | 141 | 123.1 Ų | 123.1 | 66% | 0.659 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -86.3 | -50.3 | -178.8 | -175.9 | 167 | -155.7 | 0 | 0 | 111.5 | R286 V287 R292 K293 | R286-E290 VanDerWaalsContact O-CB 3.31Å; R286-E290 WeakPolarHBondContact O-CB 3.36Å; R286-E290 PolarHBondContact O-N 3.02Å; V287-E290 PolarHBondContact O-N 3.49Å; E290-R292 PolarHBondContact O-N 3.17Å; E290-K293 PolarHBondContact O-N 3.28Å; E290-K293 VanDerWaalsContact O-N 3.15Å |
| 291 | S | 67 | Low | 61.1 | Low | 80 Ų | 80 | 129 Ų | 129 | 56% | 0.559 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -17.1 | 177.4 | 57.1 | 0 | 0 | 0 | 0 | 114.7 | V287 K293 | V287-S291 VanDerWaalsContact O-CB 3.24Å; V287-S291 WeakPolarHBondContact O-CB 3.41Å; V287-S291 PolarHBondContact O-N 2.85Å; V287-S291 PolarHBondContact O-OG 3.26Å; S291-K293 PolarHBondContact O-N 2.9Å; S291-K293 VanDerWaalsContact O-N 3.09Å |
| 292 | R | 63.8 | Low | 58.7 | Low | 229 Ų | 229 | 124 Ų | 124 | 86% | 0.864 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 25.1 | 171.9 | -157.6 | -178.1 | -108.3 | -125 | -3.2 | 113.1 | E290 | E290-R292 PolarHBondContact O-N 3.17Š|
| 293 | K | 46.4 | Very low | 56.2 | Low | 161 Ų | 161 | 126 Ų | 126 | 70% | 0.7 | 60% | 0.603 | S | S | * | * | | | trans | -153.3 | 79.8 | 173.1 | -160.3 | -173.6 | 171.6 | -63.2 | 0 | 114.7 | E290 S291 | E290-K293 PolarHBondContact O-N 3.28Å; E290-K293 VanDerWaalsContact O-N 3.15Å; S291-K293 PolarHBondContact O-N 2.9Å; S291-K293 VanDerWaalsContact O-N 3.09Å |
| 294 | R | 43.9 | Very low | 53.8 | Low | 206 Ų | 206 | 130.8 Ų | 130.8 | 78% | 0.777 | 63% | 0.631 | S | S | * | * | | | trans | -63.4 | 155.7 | 150.8 | -81.4 | -171.9 | -65.3 | 109.3 | -8.2 | 109.7 | | |
| 295 | E | 31.5 | Very low | 51 | Low | 125 Ų | 125 | 133.4 Ų | 133.4 | 58% | 0.584 | 65% | 0.647 | S | S | * | * | | | cis | 179.6 | 161.8 | -4.6 | 165.1 | 178.4 | -175.7 | 0 | 0 | 107.5 | | |
| 296 | V | 38 | Very low | 48.7 | Very low | 133 Ų | 133 | 136 Ų | 136 | 81% | 0.806 | 66% | 0.657 | S | S | * | * | | | trans | 117.3 | 99.8 | 172.5 | 176.7 | 0 | 0 | 0 | 0 | 113 | | |
| 297 | E | 37.6 | Very low | 46.3 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 71% | 0.706 | 66% | 0.66 | S | S | * | * | | | trans | -156.7 | 154.5 | -171.4 | -67.2 | 88.4 | -170.6 | 0 | 0 | 108.2 | | |
| 298 | D | 38.4 | Very low | 43.9 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 80% | 0.797 | 68% | 0.68 | S | S | * | * | | | cis | -164.7 | 175 | -10.2 | -147.8 | 9.2 | 0 | 0 | 0 | 106.4 | | |
| 299 | E | 37.8 | Very low | 41.5 | Very low | 51 Ų | 51 | 142.2 Ų | 142.2 | 24% | 0.238 | 69% | 0.686 | C | S | . | * | | | cis | -145.5 | -20.6 | -2.4 | 74.8 | 110.3 | 119.2 | 0 | 0 | 115.1 | R301 S1034 T1035 S1036 | E299-R301 PolarHBondContact OE2-N 3.37Å; E299-R301 VanDerWaalsContact OE2-N 3.14Å; E299-S1034 CarbonylContact O-C 3.1Å; E299-S1034 WeakPolarHBondContact O-CA 3.38Å; E299-S1034 PolarHBondContact O-N 3.43Å; E299-T1035 WeakPolarHBondContact O-CA 3.45Å; E299-T1035 PolarHBondContact O-N 3.12Å; E299-T1035 VanDerWaalsContact O-N 3.08Å; E299-S1036 VanDerWaalsContact CD-CA 3.45Å; E299-S1036 VanDerWaalsContact OE1-CA 3.32Å; E299-S1036 WeakPolarHBondContact OE1-CA 3.37Å; E299-S1036 WeakPolarHBondContact OE2-CA 3.15Å; E299-S1036 PolarHBondContact OE2-N 2.92Å |
| 300 | D | 36.7 | Very low | 39.7 | Very low | 84 Ų | 84 | 143 Ų | 143 | 45% | 0.449 | 69% | 0.689 | S | S | . | * | | | trans | -61.6 | 128.4 | -132.5 | -106.2 | -37.7 | 0 | 0 | 0 | 119.6 | S1033 S1034 | D300-S1033 WeakPolarHBondContact O-CB 3.33Å; D300-S1033 PolarHBondContact O-OG 3.48Å; D300-S1034 PolarHBondContact O-N 3.42Å |
| 301 | R | 34.3 | Very low | 38 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 53% | 0.525 | 70% | 0.697 | S | S | . | * | | | | 52.8 | 150.3 | 118.5 | -92.5 | -176.9 | -173.1 | 86.8 | -2.6 | 121.1 | E299 S1033 | E299-R301 PolarHBondContact OE2-N 3.37Å; E299-R301 VanDerWaalsContact OE2-N 3.14Å; R301-S1033 PolarHBondContact O-OG 2.95Å |
| 302 | S | 31.2 | Very low | 36.7 | Very low | 96 Ų | 96 | 152.9 Ų | 152.9 | 67% | 0.671 | 71% | 0.708 | S | S | * | * | | | cis | -150.1 | 172.1 | 11.7 | -69.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 303 | F | 31.2 | Very low | 35.3 | Very low | 164 Ų | 164 | 152.6 Ų | 152.6 | 72% | 0.719 | 71% | 0.707 | S | S | * | * | | | trans | -44.4 | 161.3 | 164.2 | -44.8 | -85.7 | 0 | 0 | 0 | 115.2 | | |
| 304 | T | 34.7 | Very low | 34.9 | Very low | 129 Ų | 129 | 150.7 Ų | 150.7 | 79% | 0.791 | 71% | 0.705 | S | S | * | * | | | cis | -139.3 | 170.8 | 43.1 | 52.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 305 | T | 30.5 | Very low | 34.6 | Very low | 117 Ų | 117 | 147.6 Ų | 147.6 | 72% | 0.718 | 70% | 0.704 | S | S | * | * | | | cis | 83.2 | 90.3 | 25.7 | -50.3 | 0 | 0 | 0 | 0 | 117 | | |
| 306 | E | 33.3 | Very low | 34.9 | Very low | 154 Ų | 154 | 146.5 Ų | 146.5 | 72% | 0.72 | 71% | 0.71 | S | S | * | * | | | trans | -178.2 | 114.3 | 149.4 | -98.2 | -74 | 100.2 | 0 | 0 | 104.2 | | |
| 307 | Q | 28.8 | Very low | 34.9 | Very low | 160 Ų | 160 | 148.1 Ų | 148.1 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | | | cis | 81.5 | 139.3 | 46.3 | -166.8 | 172.3 | -113.9 | 0 | 0 | 114.1 | | |
| 308 | R | 30.9 | Very low | 34.9 | Very low | 238 Ų | 238 | 144.5 Ų | 144.5 | 90% | 0.898 | 72% | 0.717 | S | S | * | * | | | trans | 73.1 | 148.1 | 171.4 | -148.6 | 170.7 | -174.9 | -172.1 | 0.4 | 114.7 | | |
| 309 | S | 30.8 | Very low | 34.8 | Very low | 98 Ų | 98 | 142.5 Ų | 142.5 | 69% | 0.685 | 72% | 0.715 | S | S | * | * | | | cis | -155.1 | 155.6 | -25.4 | 163 | 0 | 0 | 0 | 0 | 111.6 | | |
| 310 | K | 37.6 | Very low | 34.8 | Very low | 198 Ų | 198 | 145.3 Ų | 145.3 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | | | trans | -18.6 | 137.8 | 155.5 | -93.5 | 178.1 | 174.5 | 174.1 | 0 | 117.7 | | |
| 311 | R | 34.7 | Very low | 34.7 | Very low | 217 Ų | 217 | 150.4 Ų | 150.4 | 82% | 0.819 | 76% | 0.761 | S | S | * | * | | | | 106.8 | 139.4 | 129.5 | -159.8 | -170.4 | -177.5 | -148.5 | 5.3 | 117.4 | | |
| 312 | R | 39 | Very low | 35 | Very low | 211 Ų | 211 | 149.4 Ų | 149.4 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | | | trans | 75.2 | 126.9 | -177 | -61.9 | -174.9 | 158.1 | 167.6 | -9.1 | 112.3 | | |
| 313 | R | 35.1 | Very low | 35.1 | Very low | 224 Ų | 224 | 148.4 Ų | 148.4 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | | | cis | 91.1 | 125.5 | 42.2 | -96.4 | -161.1 | -174 | 169.4 | 0.6 | 111.8 | | |
| 314 | N | 37.5 | Very low | 35.3 | Very low | 121 Ų | 121 | 150.4 Ų | 150.4 | 65% | 0.647 | 78% | 0.781 | S | S | * | * | | | trans | 69.7 | 147.9 | 160.2 | -60.5 | 51.5 | 0 | 0 | 0 | 115.4 | | |
| 315 | D | 36.7 | Very low | 35.6 | Very low | 141 Ų | 141 | 152.9 Ų | 152.9 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | | | cis | -154.1 | -179.8 | -19.5 | -95 | -24.7 | 0 | 0 | 0 | 108.3 | | |
| 316 | S | 38.7 | Very low | 36.5 | Very low | 102 Ų | 102 | 151.5 Ų | 151.5 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | | | trans | -79 | 162.5 | -178.4 | -50.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 317 | D | 37.4 | Very low | 37 | Very low | 167 Ų | 167 | 152.6 Ų | 152.6 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | | | trans | 45.1 | 133.6 | 145 | -59.5 | -45 | 0 | 0 | 0 | 122.1 | | |
| 318 | G | 37.5 | Very low | 37.7 | Very low | 74 Ų | 74 | 152.7 Ų | 152.7 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | | | trans | 163.2 | 76.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 319 | S | 36.5 | Very low | 38.4 | Very low | 108 Ų | 108 | 146 Ų | 146 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | | 97 | 144.5 | 57.9 | -179.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 320 | S | 37.3 | Very low | 38.6 | Very low | 109 Ų | 109 | 149.2 Ų | 149.2 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | | | trans | 61.8 | 108.8 | 159.3 | 34.8 | 0 | 0 | 0 | 0 | 118.7 | | |
| 321 | H | 34.8 | Very low | 38.6 | Very low | 192 Ų | 192 | 143.5 Ų | 143.5 | 89% | 0.889 | 79% | 0.785 | S | S | * | * | | | trans | -62.2 | 168.1 | 153.7 | -80.7 | -81.3 | 0 | 0 | 0 | 112.5 | | |
| 322 | S | 40.7 | Very low | 38.7 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | 97.4 | 108.3 | 144.6 | -154.6 | 0 | 0 | 0 | 0 | 118 | | |
| 323 | A | 32.7 | Very low | 39 | Very low | 75 Ų | 75 | 134.8 Ų | 134.8 | 62% | 0.62 | 78% | 0.782 | S | S | * | * | | | trans | -143.7 | 143.5 | 143.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 324 | F | 37.1 | Very low | 38.9 | Very low | 207 Ų | 207 | 128.7 Ų | 128.7 | 91% | 0.908 | 77% | 0.774 | S | S | * | * | | | trans | 73 | 110.7 | 179.3 | -49.4 | -70.2 | 0 | 0 | 0 | 117.1 | | |
| 325 | E | 40.4 | Very low | 39.1 | Very low | 180 Ų | 180 | 130.3 Ų | 130.3 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | | | trans | -131.3 | -177.8 | 166.9 | -149.8 | -149.7 | 153 | 0 | 0 | 107 | | |
| 326 | P | 49.5 | Very low | 39.1 | Very low | 89 Ų | 89 | 132.3 Ų | 132.3 | 58% | 0.578 | 79% | 0.787 | S | S | * | * | | | | -106.5 | 165.4 | -92.7 | 37.2 | -27.1 | 0 | 0 | 0 | 114.2 | | |
| 327 | L | 43.5 | Very low | 39.2 | Very low | 177 Ų | 177 | 132.9 Ų | 132.9 | 93% | 0.927 | 79% | 0.786 | S | S | * | * | | | trans | -137.3 | 154.1 | 152.4 | -77.6 | -178.9 | 0 | 0 | 0 | 111.2 | | |
| 328 | L | 42.8 | Very low | 39.8 | Very low | 161 Ų | 161 | 129.7 Ų | 129.7 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | | | trans | -104.4 | -155.3 | -171.3 | -62.9 | 169.6 | 0 | 0 | 0 | 110.7 | | |
| 329 | P | 46.4 | Very low | 40 | Very low | 98 Ų | 98 | 135.2 Ų | 135.2 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | | | | -122.2 | 174.9 | -87 | 37.9 | -23.9 | 0 | 0 | 0 | 114 | | |
| 330 | N | 35.3 | Very low | 40.9 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | | | trans | 72.7 | 140.4 | 172.1 | -46.9 | -42.6 | 0 | 0 | 0 | 116 | | |
| 331 | G | 37.9 | Very low | 40.9 | Very low | 77 Ų | 77 | 134.4 Ų | 134.4 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | | | trans | 135.2 | 72.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 332 | T | 36.3 | Very low | 40.9 | Very low | 138 Ų | 138 | 131 Ų | 131 | 85% | 0.847 | 78% | 0.778 | S | S | * | * | | | trans | -95.7 | 175.9 | 157.1 | 57.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 333 | P | 44.4 | Very low | 40.8 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | | | cis | -132.8 | -163.8 | -1.7 | 40.1 | -21.3 | 0 | 0 | 0 | 113.6 | | |
| 334 | S | 34.2 | Very low | 41.2 | Very low | 96 Ų | 96 | 135.4 Ų | 135.4 | 67% | 0.671 | 78% | 0.775 | S | S | * | * | | | trans | 70.4 | 162.9 | 148.6 | -88.3 | 0 | 0 | 0 | 0 | 118.6 | | |
| 335 | Q | 41.1 | Very low | 41.6 | Very low | 155 Ų | 155 | 136.3 Ų | 136.3 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | | | cis | -159.4 | 133.4 | -21.8 | -125.2 | 167.8 | 4.8 | 0 | 0 | 109.2 | | |
| 336 | L | 35.9 | Very low | 41.4 | Very low | 182 Ų | 182 | 131 Ų | 131 | 95% | 0.953 | 77% | 0.766 | S | S | * | * | | | trans | -148 | 98.6 | 141 | -87.9 | -167.6 | 0 | 0 | 0 | 109.6 | | |
| 337 | V | 40.4 | Very low | 40.7 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 69% | 0.691 | 78% | 0.781 | S | S | * | * | | | trans | -142.1 | 150.6 | -176.9 | 163.5 | 0 | 0 | 0 | 0 | 103.9 | | |
| 338 | P | 51.2 | Low | 40.2 | Very low | 100 Ų | 100 | 132.3 Ų | 132.3 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | | | cis | -124.4 | -151.3 | 13.6 | 21.7 | 7.3 | 0 | 0 | 0 | 111.1 | | |
| 339 | K | 42.3 | Very low | 39.5 | Very low | 191 Ų | 191 | 130 Ų | 130 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | | | cis | -168 | 168.7 | 45.3 | -120.4 | 154.5 | 179.6 | -179.4 | 0 | 110.1 | | |
| 340 | P | 54.8 | Low | 38.7 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | | | | -145.9 | -177.8 | -111.5 | 38.2 | -14.4 | 0 | 0 | 0 | 117.7 | | |
| 341 | G | 37.1 | Very low | 38.5 | Very low | 77 Ų | 77 | 128.8 Ų | 128.8 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | | | trans | 104.3 | 145.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 342 | S | 35.3 | Very low | 38.2 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | | | cis | -166.9 | 165.3 | 2.7 | 103.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 343 | L | 37.1 | Very low | 38.2 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | | | cis | -172.9 | 151.7 | -5.1 | 167 | 63.3 | 0 | 0 | 0 | 108.7 | | |
| 344 | K | 42.1 | Very low | 37.7 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | | | trans | 76.4 | 121.2 | 179.7 | -67.2 | 143.4 | -177.7 | -179.7 | 0 | 114.4 | | |
| 345 | R | 44.6 | Very low | 37.7 | Very low | 226 Ų | 226 | 134.7 Ų | 134.7 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | | | | 90 | 124.6 | 55.2 | -79.9 | -162.7 | -61.2 | -126.6 | 13 | 112.4 | | |
| 346 | G | 36.3 | Very low | 37.1 | Very low | 69 Ų | 69 | 134.4 Ų | 134.4 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | | | cis | 153 | 157.9 | -14.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 347 | M | 35.5 | Very low | 36.8 | Very low | 181 Ų | 181 | 134.3 Ų | 134.3 | 89% | 0.892 | 76% | 0.756 | S | S | * | * | | | trans | 66.2 | 157.1 | 162.7 | -48.9 | 175.7 | 68.2 | 0 | 0 | 116.7 | | |
| 348 | T | 32.4 | Very low | 36.6 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | | | cis | -138.7 | 139.4 | 7.1 | 43.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 349 | S | 28.7 | Very low | 35.4 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | | 87.1 | 140.4 | 78.5 | -46.6 | 0 | 0 | 0 | 0 | 117 | | |
| 350 | A | 30 | Very low | 35.2 | Very low | 93 Ų | 93 | 141.4 Ų | 141.4 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | trans | -35.3 | 163.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 351 | I | 31.2 | Very low | 33.9 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | | | | 176.4 | 165.6 | 67.2 | -165 | 156.9 | 0 | 0 | 0 | 113.8 | | |
| 352 | D | 30.9 | Very low | 33.4 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | | | trans | 69.4 | 153.5 | 157.5 | -80.5 | -10.2 | 0 | 0 | 0 | 124.3 | | |
| 353 | E | 36.5 | Very low | 33.2 | Very low | 169 Ų | 169 | 143 Ų | 143 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | | | trans | -106.8 | -170.5 | -172.8 | -53.8 | -174.4 | 118.2 | 0 | 0 | 113.1 | | |
| 354 | T | 34 | Very low | 32.8 | Very low | 120 Ų | 120 | 144 Ų | 144 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | | | trans | 82.4 | 149.4 | 158.8 | 88.3 | 0 | 0 | 0 | 0 | 117 | | |
| 355 | T | 33.9 | Very low | 32.1 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 64% | 0.644 | 77% | 0.769 | S | S | * | * | | | cis | -158.5 | 167.8 | -21.3 | 25.4 | 0 | 0 | 0 | 0 | 111 | | |
| 356 | M | 28.9 | Very low | 31.4 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | 82.9 | 126.1 | 137.7 | -89.8 | 176.7 | -118.8 | 0 | 0 | 123.1 | | |
| 357 | K | 29.8 | Very low | 31.2 | Very low | 179 Ų | 179 | 136.6 Ų | 136.6 | 78% | 0.778 | 77% | 0.771 | S | S | * | * | | | trans | 95.6 | 99.4 | 140.9 | -55 | -111.3 | 179.8 | 166.9 | 0 | 120.4 | | |
| 358 | R | 35.3 | Very low | 31.1 | Very low | 222 Ų | 222 | 135 Ų | 135 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | | 89.6 | 83.6 | 117.3 | -168.7 | 171.7 | -96.6 | -141.6 | -4.1 | 119.5 | | |
| 359 | S | 26.6 | Very low | 30.8 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | | | | 64.2 | 121 | 114 | -51.3 | 0 | 0 | 0 | 0 | 122.4 | | |
| 360 | R | 38.5 | Very low | 31 | Very low | 234 Ų | 234 | 132.4 Ų | 132.4 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | | | trans | 70.1 | 145.7 | 140.4 | -67.5 | -172.4 | 165.7 | 172.9 | -4.6 | 117.4 | | |
| 361 | T | 27.4 | Very low | 31 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 77% | 0.767 | 77% | 0.765 | S | S | * | * | | | cis | -164.1 | 140.1 | 2.4 | 12.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 362 | S | 27.2 | Very low | 31.1 | Very low | 112 Ų | 112 | 130 Ų | 130 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | | | trans | -175.8 | 160.4 | 158.4 | 50.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 363 | S | 29.6 | Very low | 31.9 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | cis | -157.3 | 172.1 | -24.6 | -102.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 364 | I | 28.5 | Very low | 31.6 | Very low | 154 Ų | 154 | 132.2 Ų | 132.2 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | | | trans | -73 | 137.5 | -178.6 | 37.8 | 168.8 | 0 | 0 | 0 | 115.5 | | |
| 365 | S | 27.8 | Very low | 31.5 | Very low | 94 Ų | 94 | 130.2 Ų | 130.2 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | | | trans | 50.7 | 121.5 | 151.4 | 54.5 | 0 | 0 | 0 | 0 | 120.3 | | |
| 366 | S | 31 | Very low | 31.6 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | | | | 84.5 | 120.4 | 54.6 | -59.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 367 | G | 31.3 | Very low | 32.2 | Very low | 67 Ų | 67 | 130.6 Ų | 130.6 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | | | trans | 163.1 | 93.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 368 | T | 32.4 | Very low | 32.1 | Very low | 146 Ų | 146 | 125.5 Ų | 125.5 | 90% | 0.896 | 78% | 0.776 | S | S | * | * | | | | 71.2 | 124.4 | 90.3 | -52.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 369 | G | 28 | Very low | 31.9 | Very low | 72 Ų | 72 | 120.9 Ų | 120.9 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | | | cis | 113.2 | 142 | 1.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 370 | A | 32.9 | Very low | 32.3 | Very low | 100 Ų | 100 | 127 Ų | 127 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | | | cis | -165.3 | -179.9 | -5.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 371 | H | 28.2 | Very low | 32.3 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 56% | 0.556 | 78% | 0.782 | S | S | * | * | | | trans | -92.7 | 141 | 175.7 | -67.3 | -101.7 | 0 | 0 | 0 | 111.6 | F1040 | H371-F1040 HydrophobicContact CB-CD2 3.61Å; H371-F1040 HydrophobicContact CB-CE2 3.62Å; H371-F1040 HydrophobicContact CB-CG 4.12Å; H371-F1040 HydrophobicContact CB-CZ 4.12Å |
| 372 | A | 34.5 | Very low | 32.7 | Very low | 67 Ų | 67 | 129.2 Ų | 129.2 | 55% | 0.554 | 79% | 0.787 | S | S | * | * | | | cis | 84.9 | 151.8 | 37 | 0 | 0 | 0 | 0 | 0 | 114.3 | F1040 | A372-F1040 WeakPolarHBondContact O-CE1 3.32Å; A372-F1040 WeakPolarHBondContact O-CZ 3.41Å |
| 373 | P | 47.8 | Very low | 33.1 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | | | cis | -114.5 | -157.3 | -10.3 | 34.4 | -12.8 | 0 | 0 | 0 | 111.3 | | |
| 374 | R | 29.7 | Very low | 33.4 | Very low | 245 Ų | 245 | 129.6 Ų | 129.6 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | | | cis | -167.3 | 145.5 | 32.7 | 179 | -172.8 | -174.2 | -154.1 | 4.3 | 110.7 | | |
| 375 | G | 32.8 | Very low | 33.7 | Very low | 77 Ų | 77 | 131.1 Ų | 131.1 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | trans | 170.9 | 106.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 376 | T | 34.4 | Very low | 33.7 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | | | trans | -120.2 | 177 | 176.3 | 22.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 377 | P | 42.3 | Very low | 33.7 | Very low | 129 Ų | 129 | 130.1 Ų | 130.1 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | cis | -129 | -174.5 | -2.5 | 38.4 | -20.5 | 0 | 0 | 0 | 114.6 | | |
| 378 | G | 28.8 | Very low | 33.8 | Very low | 72 Ų | 72 | 137.6 Ų | 137.6 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | | | trans | 179.3 | 95.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 379 | T | 31.2 | Very low | 33.8 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | | | trans | 0.6 | 109.3 | 152.8 | -66.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 380 | R | 34 | Very low | 33.8 | Very low | 226 Ų | 226 | 137.1 Ų | 137.1 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | | | | 51.1 | 118.3 | 92.5 | -74.7 | -171.3 | 176.8 | -144.4 | 3.9 | 117 | | |
| 381 | R | 37.9 | Very low | 33.7 | Very low | 244 Ų | 244 | 137 Ų | 137 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | | | | -173.9 | 157.5 | 113.1 | -100.9 | 162.9 | -176 | 152.6 | 0.7 | 115.3 | | |
| 382 | N | 36.7 | Very low | 34.2 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | | | trans | -82.5 | 174.9 | -178.8 | -78.3 | -21.9 | 0 | 0 | 0 | 112.7 | | |
| 383 | A | 35.2 | Very low | 34.1 | Very low | 75 Ų | 75 | 137.9 Ų | 137.9 | 62% | 0.62 | 79% | 0.789 | S | S | * | * | | | cis | -176.3 | 163.2 | -22.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 384 | I | 36.8 | Very low | 33.7 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | | | trans | 43.1 | 118.8 | 150.2 | -56.9 | 154.1 | 0 | 0 | 0 | 120 | | |
| 385 | Q | 33.8 | Very low | 33.8 | Very low | 185 Ų | 185 | 134 Ų | 134 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | | -178.2 | 156.2 | 129.3 | -98.1 | -177.3 | 35.9 | 0 | 0 | 108 | | |
| 386 | S | 28.5 | Very low | 34 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | cis | -155.5 | -171.4 | -18.6 | 62.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 387 | S | 30.5 | Very low | 33.7 | Very low | 99 Ų | 99 | 144.3 Ų | 144.3 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | | | trans | -64.9 | 149.2 | -176.1 | -55.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 388 | Y | 34.3 | Very low | 33.2 | Very low | 224 Ų | 224 | 147.1 Ų | 147.1 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | | | trans | 161.4 | 104.7 | 130.4 | -85.5 | -65.4 | 0 | 0 | 0 | 107.1 | | |
| 389 | S | 31.2 | Very low | 33.8 | Very low | 108 Ų | 108 | 153 Ų | 153 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | | 74.7 | 123 | 71.1 | -163.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 390 | S | 28.1 | Very low | 34.3 | Very low | 100 Ų | 100 | 152.6 Ų | 152.6 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | | | trans | 75.1 | 112.5 | 151.9 | -158.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 391 | S | 31.1 | Very low | 34.1 | Very low | 98 Ų | 98 | 147.6 Ų | 147.6 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | | | | 80 | 154.3 | 128.4 | 66.5 | 0 | 0 | 0 | 0 | 122.1 | | |
| 392 | V | 38.1 | Very low | 33.7 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 87% | 0.873 | 79% | 0.792 | S | S | * | * | | | trans | 70.2 | 139.9 | 171.4 | -163.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 393 | G | 33 | Very low | 33.8 | Very low | 60 Ų | 60 | 138.2 Ų | 138.2 | 62% | 0.619 | 79% | 0.786 | S | S | * | * | | | cis | 145.9 | 89.8 | -8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 394 | L | 38.9 | Very low | 33.4 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 94% | 0.937 | 80% | 0.796 | S | S | * | * | | | trans | 19.5 | 99.3 | 154.9 | -66.7 | 164.9 | 0 | 0 | 0 | 120.5 | | |
| 395 | S | 32.9 | Very low | 32.9 | Very low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | | | trans | -178.5 | 129.7 | 141.6 | 39.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 396 | Q | 35.5 | Very low | 33.2 | Very low | 177 Ų | 177 | 135.1 Ų | 135.1 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | | | | 64.3 | 99.5 | 70.6 | -66.1 | -91.5 | 0.3 | 0 | 0 | 114.5 | | |
| 397 | W | 29.5 | Very low | 33 | Very low | 250 Ų | 250 | 137.3 Ų | 137.3 | 95% | 0.947 | 79% | 0.794 | S | S | * | * | | | trans | -161.1 | 178.1 | 136.2 | -147.6 | -108.5 | 0 | 0 | 0 | 113.8 | | |
| 398 | K | 31.4 | Very low | 32.7 | Very low | 187 Ų | 187 | 137.6 Ų | 137.6 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | trans | -111.2 | 164.6 | -177.1 | -90.3 | -170.6 | 169.5 | -168.4 | 0 | 114.1 | | |
| 399 | K | 40.6 | Very low | 32.4 | Very low | 196 Ų | 196 | 131.8 Ų | 131.8 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | | | trans | -51.3 | 167.4 | 158.8 | -63.2 | 179.9 | -179.5 | -174.9 | 0 | 112.5 | | |
| 400 | P | 43.5 | Very low | 32.3 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | | | cis | -152.6 | -177.2 | 33.9 | 45 | -24 | 0 | 0 | 0 | 120.9 | | |
| 401 | S | 29.1 | Very low | 32.2 | Very low | 122 Ų | 122 | 137.9 Ų | 137.9 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | | | trans | 89.8 | 153.7 | 155.6 | -59.2 | 0 | 0 | 0 | 0 | 120.1 | | |
| 402 | A | 30.2 | Very low | 32 | Very low | 94 Ų | 94 | 137.9 Ų | 137.9 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | | | trans | -121.8 | -174.6 | -165.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 403 | P | 37.1 | Very low | 31.5 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | | | | -153.7 | 173.9 | 89.4 | 40.4 | -21.8 | 0 | 0 | 0 | 118.7 | | |
| 404 | S | 28 | Very low | 31.2 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | trans | 76.6 | 155.2 | 149.3 | 50 | 0 | 0 | 0 | 0 | 122.9 | | |
| 405 | S | 25.8 | Very low | 30.7 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | trans | -114.5 | 177.3 | -165.3 | -41 | 0 | 0 | 0 | 0 | 113.5 | | |
| 406 | P | 39.9 | Very low | 30.5 | Very low | 126 Ų | 126 | 143.3 Ų | 143.3 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | | -140.5 | 177.9 | 106.6 | 19.6 | 2.4 | 0 | 0 | 0 | 112.6 | | |
| 407 | L | 24.7 | Very low | 30 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | cis | -171.4 | 136 | -26.5 | 170.5 | 68.6 | 0 | 0 | 0 | 107.6 | | |
| 408 | S | 24.6 | Very low | 30.5 | Very low | 106 Ų | 106 | 134 Ų | 134 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | 59.1 | 155.6 | 166.5 | 62.2 | 0 | 0 | 0 | 0 | 118.8 | | |
| 409 | S | 26.4 | Very low | 30.2 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | | | cis | -142.7 | 148 | -4.9 | 29.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 410 | L | 30.3 | Very low | 29.8 | Very low | 183 Ų | 183 | 128.6 Ų | 128.6 | 96% | 0.958 | 78% | 0.78 | S | S | * | * | | | trans | -123.3 | 150.5 | 147.5 | -144.9 | 75.7 | 0 | 0 | 0 | 106.5 | | |
| 411 | E | 26 | Very low | 29.1 | Very low | 153 Ų | 153 | 128.1 Ų | 128.1 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | | | trans | -100.8 | 135.4 | -153.6 | -176.8 | 49.8 | -116.9 | 0 | 0 | 114.3 | | |
| 412 | S | 26.3 | Very low | 29.7 | Very low | 97 Ų | 97 | 127.6 Ų | 127.6 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | | | trans | 57.6 | 160.6 | 162.2 | -84.5 | 0 | 0 | 0 | 0 | 119.3 | | |
| 413 | S | 26.9 | Very low | 29.9 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | cis | -148.8 | -178.4 | 0.6 | -152.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 414 | R | 28.6 | Very low | 29.7 | Very low | 231 Ų | 231 | 136.7 Ų | 136.7 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | | | trans | -50.6 | 166.9 | 164.3 | -92 | 179.6 | 168.8 | 170.3 | -5.9 | 114.8 | | |
| 415 | S | 28.4 | Very low | 29.6 | Very low | 84 Ų | 84 | 137.8 Ų | 137.8 | 59% | 0.587 | 79% | 0.787 | S | S | * | * | | | cis | -167.3 | 167.2 | -0.3 | 37.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 416 | Q | 27.6 | Very low | 29.9 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | | | trans | 74.1 | 117.9 | 148 | -85.6 | 167.4 | -51.8 | 0 | 0 | 121.1 | | |
| 417 | T | 25.1 | Very low | 29.2 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | trans | -57.4 | 173 | 148.6 | 47.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 418 | P | 40.3 | Very low | 29.2 | Very low | 104 Ų | 104 | 140.6 Ų | 140.6 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | | | cis | -148.1 | -171.8 | 26.4 | 42.5 | -20 | 0 | 0 | 0 | 118.1 | | |
| 419 | E | 24.8 | Very low | 29.3 | Very low | 193 Ų | 193 | 142 Ų | 142 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | | | trans | 68.1 | 157.1 | 163.4 | -53.5 | -169.1 | -168.1 | 0 | 0 | 118.1 | | |
| 420 | G | 32.3 | Very low | 29.5 | Very low | 78 Ų | 78 | 143 Ų | 143 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | cis | -153.8 | 160.1 | 1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 421 | A | 29.4 | Very low | 29.3 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 87% | 0.868 | 76% | 0.756 | S | S | * | * | | | trans | -105.9 | 145.6 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 422 | S | 40.2 | Very low | 29.3 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | trans | -170.3 | 149 | 152.7 | 54 | 0 | 0 | 0 | 0 | 110.2 | | |
| 423 | K | 35.7 | Very low | 29.8 | Very low | 178 Ų | 178 | 142 Ų | 142 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | | | cis | -147.7 | 133.6 | -15 | -104 | 166.8 | 179.6 | 175.5 | 0 | 106 | | |
| 424 | R | 32.1 | Very low | 29.7 | Very low | 223 Ų | 223 | 141.8 Ų | 141.8 | 84% | 0.842 | 76% | 0.763 | S | S | * | * | | | | 48 | 134.4 | 103.1 | -55.7 | -174.4 | -171.1 | 178.1 | 2.2 | 114.9 | | |
| 425 | T | 27 | Very low | 29.6 | Very low | 141 Ų | 141 | 135.5 Ų | 135.5 | 87% | 0.865 | 75% | 0.754 | S | S | * | * | | | cis | -164.8 | 178.4 | 0.9 | 10.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 426 | R | 30.7 | Very low | 29.5 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | | | cis | -132.7 | 170 | 13.8 | 176.3 | 177.7 | -176.6 | -94.4 | -10.8 | 111.3 | E428 | R426-E428 IonicContact CZ-OE2 3.24Å; R426-E428 VanDerWaalsContact CZ-OE2 3.24Å; R426-E428 IonicContact NH1-OE2 2.82Å; R426-E428 PolarHBondContact NH1-OE2 3.47Å; R426-E428 IonicContact NH2-OE2 3.85Å; R426-E428 PolarHBondContact NH2-OE2 2.85Å |
| 427 | E | 25.8 | Very low | 29.5 | Very low | 134 Ų | 134 | 133 Ų | 133 | 63% | 0.626 | 76% | 0.763 | S | S | * | * | | | trans | -49 | 165.6 | 159.1 | -45.2 | 145 | 118.7 | 0 | 0 | 117.3 | | |
| 428 | E | 25.8 | Very low | 29.6 | Very low | 152 Ų | 152 | 132.6 Ų | 132.6 | 71% | 0.71 | 77% | 0.765 | S | S | * | * | | | trans | 65.2 | 148.8 | 157.9 | -70.6 | 178.6 | 136.5 | 0 | 0 | 119.6 | R426 | R426-E428 IonicContact CZ-OE2 3.24Å; R426-E428 VanDerWaalsContact CZ-OE2 3.24Å; R426-E428 IonicContact NH1-OE2 2.82Å; R426-E428 PolarHBondContact NH1-OE2 3.47Å; R426-E428 IonicContact NH2-OE2 3.85Å; R426-E428 PolarHBondContact NH2-OE2 2.85Å |
| 429 | D | 26.5 | Very low | 29.1 | Very low | 135 Ų | 135 | 134.1 Ų | 134.1 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | | | cis | -163.6 | -178.8 | -19.7 | -177.2 | 28.4 | 0 | 0 | 0 | 108.1 | | |
| 430 | I | 29.4 | Very low | 29.5 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 63% | 0.631 | 77% | 0.772 | S | S | * | * | | | trans | 75.6 | 98.9 | 160.9 | -46.9 | -176 | 0 | 0 | 0 | 118.3 | | |
| 431 | Q | 27.4 | Very low | 29.3 | Very low | 178 Ų | 178 | 137.4 Ų | 137.4 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | | | | 40.8 | 139.9 | 124.5 | -51 | 176.7 | 18.1 | 0 | 0 | 123.4 | | |
| 432 | S | 25.1 | Very low | 29.2 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | | | trans | -11.7 | 148.6 | 149 | -45.7 | 0 | 0 | 0 | 0 | 119.1 | | |
| 433 | P | 37.8 | Very low | 28.9 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | | -157.1 | 173 | 83 | 42.2 | -22.7 | 0 | 0 | 0 | 119.9 | | |
| 434 | S | 23.5 | Very low | 28.8 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | 32.6 | 111.8 | 144.6 | -61.7 | 0 | 0 | 0 | 0 | 124.4 | | |
| 435 | S | 27.3 | Very low | 28.6 | Very low | 99 Ų | 99 | 140.3 Ų | 140.3 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | | | | 31.1 | 118.1 | 112.9 | -58.8 | 0 | 0 | 0 | 0 | 123.1 | | |
| 436 | A | 26.8 | Very low | 28.6 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | | 92.7 | 151.8 | 117.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 437 | S | 26.7 | Very low | 28.2 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | 74.3 | 137.4 | 174 | -154.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 438 | S | 27.3 | Very low | 28.4 | Very low | 117 Ų | 117 | 139 Ų | 139 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | -143.8 | 97.5 | 167.9 | 176.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 439 | V | 30.1 | Very low | 28.5 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -82.4 | 136.8 | 167.1 | 175.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 440 | R | 32.1 | Very low | 29 | Very low | 239 Ų | 239 | 136 Ų | 136 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | | | trans | -106.7 | 123.4 | -171.4 | -175.3 | -162 | -167.6 | -140.7 | 4.9 | 111.6 | | |
| 441 | S | 28.8 | Very low | 28.7 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | -165.9 | 133.2 | 151.7 | 54 | 0 | 0 | 0 | 0 | 110.7 | | |
| 442 | D | 26.7 | Very low | 28.7 | Very low | 160 Ų | 160 | 134 Ų | 134 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | | | trans | -157.9 | 150.1 | 140 | -98.4 | -32.3 | 0 | 0 | 0 | 108.9 | | |
| 443 | H | 35.1 | Very low | 28.7 | Very low | 190 Ų | 190 | 133.1 Ų | 133.1 | 88% | 0.88 | 77% | 0.773 | S | S | * | * | | | trans | -137.4 | 154.6 | 170.9 | -105 | -82.3 | 0 | 0 | 0 | 108.5 | | |
| 444 | T | 33.3 | Very low | 28.2 | Very low | 143 Ų | 143 | 136.3 Ų | 136.3 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | | | trans | -74.6 | 160.5 | -167.3 | 46.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 445 | M | 28.4 | Very low | 28.4 | Very low | 185 Ų | 185 | 139.7 Ų | 139.7 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | | | trans | -101.5 | 171.2 | -169.8 | 179.7 | 171.7 | 168.5 | 0 | 0 | 113.8 | | |
| 446 | S | 27.3 | Very low | 28.2 | Very low | 101 Ų | 101 | 140.6 Ų | 140.6 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | trans | 80.9 | 142 | -179.7 | -109 | 0 | 0 | 0 | 0 | 116.2 | | |
| 447 | E | 22.2 | Very low | 28.4 | Very low | 146 Ų | 146 | 141 Ų | 141 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | | | cis | -153.7 | 165.7 | 0.5 | -153.2 | -170.7 | 113.7 | 0 | 0 | 112.3 | | |
| 448 | K | 28.9 | Very low | 28.4 | Very low | 164 Ų | 164 | 141 Ų | 141 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | | | trans | 66.9 | 95.5 | 162.4 | -84.9 | -173.2 | 177.2 | 76.6 | 0 | 122.6 | | |
| 449 | T | 28.7 | Very low | 28.5 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | | | | 14.3 | 159.5 | 113.2 | 52.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 450 | P | 36.2 | Very low | 28.3 | Very low | 100 Ų | 100 | 143.8 Ų | 143.8 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | | | cis | -140 | -177 | -6.2 | 35.5 | -13.8 | 0 | 0 | 0 | 117.2 | | |
| 451 | D | 23.4 | Very low | 28.5 | Very low | 142 Ų | 142 | 139 Ų | 139 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | | | trans | 68.3 | 149.8 | 151.8 | -63.3 | -36.4 | 0 | 0 | 0 | 121.1 | | |
| 452 | T | 27.3 | Very low | 28.7 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | | | cis | -145.2 | 119.4 | 8.6 | -18.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 453 | S | 24.8 | Very low | 29 | Very low | 94 Ų | 94 | 136.3 Ų | 136.3 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | | | trans | 60 | 142.1 | 138.5 | 82.5 | 0 | 0 | 0 | 0 | 126.4 | | |
| 454 | K | 27.7 | Very low | 28.9 | Very low | 186 Ų | 186 | 130.3 Ų | 130.3 | 81% | 0.809 | 73% | 0.729 | S | S | * | * | | | trans | 73.3 | 107.9 | 155.7 | -41.4 | -161 | -175.6 | -177.2 | 0 | 118.3 | | |
| 455 | Q | 27.9 | Very low | 28.5 | Very low | 176 Ų | 176 | 129.1 Ų | 129.1 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | | | | 78.3 | 110.8 | 53.6 | -160 | -162.7 | 6.9 | 0 | 0 | 111.9 | | |
| 456 | T | 23.6 | Very low | 28.4 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 72% | 0.718 | 72% | 0.716 | S | S | * | * | | | | 164.8 | 163.7 | 88.2 | -44.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 457 | P | 30.4 | Very low | 28.4 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 72% | 0.721 | 72% | 0.715 | S | S | * | * | | | cis | -123.5 | 155.8 | -46.4 | 38.3 | -23.2 | 0 | 0 | 0 | 116.8 | | |
| 458 | V | 26.5 | Very low | 28.6 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 69% | 0.691 | 71% | 0.711 | S | S | * | * | | | trans | -2.8 | 151.3 | 130.2 | 166.3 | 0 | 0 | 0 | 0 | 118.7 | | |
| 459 | P | 29.8 | Very low | 28.4 | Very low | 123 Ų | 123 | 126.8 Ų | 126.8 | 80% | 0.799 | 72% | 0.719 | S | S | * | * | | | cis | -134.5 | -169.2 | 21.2 | 27.2 | -2.8 | 0 | 0 | 0 | 117.3 | | |
| 460 | K | 25.4 | Very low | 28.5 | Very low | 186 Ų | 186 | 127.3 Ų | 127.3 | 81% | 0.809 | 72% | 0.722 | S | S | * | * | | | cis | 169.4 | 127.7 | -46.4 | -159.9 | 166.3 | -169.1 | 175.2 | 0 | 109.2 | | |
| 461 | V | 37.2 | Very low | 28.1 | Very low | 139 Ų | 139 | 126 Ų | 126 | 84% | 0.842 | 73% | 0.727 | S | S | * | * | | | trans | -135.9 | 147.9 | -177.6 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 462 | P | 32.1 | Very low | 28.6 | Very low | 95 Ų | 95 | 125.4 Ų | 125.4 | 62% | 0.617 | 73% | 0.734 | S | S | * | * | | | trans | -130.4 | 169.1 | 173.3 | 39.8 | -26.1 | 0 | 0 | 0 | 117.8 | | |
| 463 | V | 32.7 | Very low | 29 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 67% | 0.667 | 74% | 0.736 | S | S | * | * | | | trans | -162.1 | 145.5 | -171.8 | 138.9 | 0 | 0 | 0 | 0 | 108 | | |
| 464 | T | 33.8 | Very low | 29.8 | Very low | 63 Ų | 63 | 122.3 Ų | 122.3 | 39% | 0.387 | 74% | 0.74 | S | S | . | * | | | cis | -158.4 | 142.5 | -15.9 | -76.2 | 0 | 0 | 0 | 0 | 110.5 | Q833 L834 | T464-Q833 PolarHBondContact OG1-OE1 3.35Å; T464-L834 HydrophobicContact CG2-CD1 3.95Å; T464-L834 WeakPolarHBondContact OG1-CD1 3.32Å |
| 465 | T | 25.1 | Very low | 31.1 | Very low | 118 Ų | 118 | 123.9 Ų | 123.9 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | | | trans | -145.9 | 167.9 | 179.8 | 52.8 | 0 | 0 | 0 | 0 | 115.2 | | |
| 466 | T | 26.2 | Very low | 32.5 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | | | trans | -148.2 | 167 | -161.3 | -47 | 0 | 0 | 0 | 0 | 113.1 | | |
| 467 | R | 26.5 | Very low | 34 | Very low | 183 Ų | 183 | 131.6 Ų | 131.6 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | | | trans | 86 | 151.7 | 170.3 | -55.8 | -167.2 | 78.5 | 161.6 | -1 | 115.7 | | |
| 468 | D | 25.8 | Very low | 35.4 | Very low | 111 Ų | 111 | 138 Ų | 138 | 59% | 0.594 | 77% | 0.771 | S | S | * | * | | | cis | -158.6 | 165.7 | -11 | -115.3 | 14.2 | 0 | 0 | 0 | 110.7 | | |
| 469 | S | 26.5 | Very low | 37.1 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | trans | -154.4 | 155.4 | 148.3 | -162.3 | 0 | 0 | 0 | 0 | 112 | | |
| 470 | T | 30.1 | Very low | 39 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 83% | 0.828 | 77% | 0.774 | S | S | * | * | | | trans | -120 | 139.9 | -153.8 | -67 | 0 | 0 | 0 | 0 | 112.8 | | |
| 471 | G | 27.1 | Very low | 40.8 | Very low | 72 Ų | 72 | 140.1 Ų | 140.1 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | | | trans | 173.5 | 122.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 472 | S | 33.3 | Very low | 42 | Very low | 130 Ų | 130 | 141 Ų | 141 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | | | trans | -40.2 | 150.7 | 164.4 | -170.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 473 | G | 36.7 | Very low | 43.5 | Very low | 74 Ų | 74 | 140.7 Ų | 140.7 | 76% | 0.763 | 76% | 0.761 | S | S | * | * | | | cis | 141.5 | 66.3 | 10 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 474 | G | 40.7 | Very low | 44.6 | Very low | 73 Ų | 73 | 138.6 Ų | 138.6 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | | | trans | -153.8 | 136 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114 | R476 | G474-R476 PolarHBondContact O-N 3.23Å; G474-R476 VanDerWaalsContact O-N 3.17Å |
| 475 | K | 56.8 | Low | 45.5 | Very low | 219 Ų | 219 | 140.4 Ų | 140.4 | 95% | 0.952 | 77% | 0.767 | S | S | * | * | | | trans | -81.7 | 92.5 | -170.6 | -61.4 | -173 | -177.9 | -173.6 | 0 | 113.1 | | |
| 476 | R | 55.9 | Low | 47 | Very low | 236 Ų | 236 | 140.3 Ų | 140.3 | 89% | 0.891 | 76% | 0.761 | S | S | * | * | | | trans | -135.4 | 148 | 161.6 | -77.5 | -171.1 | 167.5 | -175.6 | -3.9 | 111.3 | G474 R478 | G474-R476 PolarHBondContact O-N 3.23Å; G474-R476 VanDerWaalsContact O-N 3.17Å; R476-R478 PolarHBondContact O-N 2.84Å |
| 477 | K | 56.1 | Low | 48.4 | Very low | 218 Ų | 218 | 145.6 Ų | 145.6 | 95% | 0.948 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 125.1 | 177.4 | -67.5 | -167.7 | 175.6 | -169.1 | 0 | 109.4 | | |
| 478 | R | 60.3 | Low | 49.8 | Very low | 246 Ų | 246 | 143.8 Ų | 143.8 | 93% | 0.928 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 126.2 | 173.1 | -55.9 | -173.3 | -166.2 | -170 | 4.9 | 108.7 | R476 | R476-R478 PolarHBondContact O-N 2.84Š|
| 479 | K | 62 | Low | 51.2 | Low | 192 Ų | 192 | 142.4 Ų | 142.4 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 118.9 | 166.6 | 179.8 | -173.7 | 176.5 | -168.9 | 0 | 106.7 | Q481 | K479-Q481 PolarHBondContact O-N 3.43Š|
| 480 | I | 69.3 | Low | 52.8 | Low | 140 Ų | 140 | 145.5 Ų | 145.5 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 128.8 | 170.2 | -54.5 | 175.9 | 0 | 0 | 0 | 106.9 | L482 | I480-L482 HydrophobicContact CG2-CD2 4.02Š|
| 481 | Q | 62 | Low | 54.5 | Low | 136 Ų | 136 | 144.3 Ų | 144.3 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | | | trans | -97.4 | 115.4 | 176.6 | -174.5 | 157.2 | -20.4 | 0 | 0 | 107.7 | K479 | K479-Q481 PolarHBondContact O-N 3.43Š|
| 482 | L | 63.8 | Low | 56.2 | Low | 158 Ų | 158 | 146.5 Ų | 146.5 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | | | trans | -87.9 | -1.1 | -165.8 | -63.8 | 173.4 | 0 | 0 | 0 | 114.2 | I480 | I480-L482 HydrophobicContact CG2-CD2 4.02Š|
| 483 | V | 62.4 | Low | 58 | Low | 88 Ų | 88 | 146.8 Ų | 146.8 | 53% | 0.533 | 75% | 0.746 | S | S | . | * | S | Bend | trans | -144.4 | 147.5 | -179.9 | -168.5 | 0 | 0 | 0 | 0 | 108.8 | I491 | V483-I491 HydrophobicContact CG1-CD1 4.42Š|
| 484 | S | 55.9 | Low | 59.5 | Low | 65 Ų | 65 | 148.4 Ų | 148.4 | 46% | 0.455 | 74% | 0.743 | S | S | . | * | | | trans | -51.6 | 147.9 | 167.1 | 34.5 | 0 | 0 | 0 | 0 | 111.3 | N486 D489 | S484-N486 VanDerWaalsContact C-N 3.31Å; S484-D489 PolarHBondContact OG-OD2 3.46Å |
| 485 | S | 53.6 | Low | 61 | Low | 102 Ų | 102 | 150.4 Ų | 150.4 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | | | trans | -97.4 | 26.8 | 176.8 | -167.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 486 | N | 57 | Low | 61.5 | Low | 115 Ų | 115 | 145.2 Ų | 145.2 | 62% | 0.615 | 73% | 0.732 | S | S | * | * | | | trans | -84.2 | 139.3 | 175.9 | -62.8 | -15.5 | 0 | 0 | 0 | 108.4 | S484 D488 | S484-N486 VanDerWaalsContact C-N 3.31Å; N486-D488 VanDerWaalsContact C-N 3.31Å; N486-D488 PolarHBondContact O-N 2.87Å |
| 487 | R | 55.1 | Low | 62.1 | Low | 240 Ų | 240 | 139.8 Ų | 139.8 | 91% | 0.906 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -86.2 | -5.1 | -166.9 | -129.6 | 175.9 | -176.4 | 171.9 | -0.8 | 114.5 | | |
| 488 | D | 54.8 | Low | 62.7 | Low | 144 Ų | 144 | 137.2 Ų | 137.2 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | | | trans | -125.1 | 3.1 | -165.6 | -48 | -81.3 | 0 | 0 | 0 | 112.6 | N486 Q490 | N486-D488 VanDerWaalsContact C-N 3.31Å; N486-D488 PolarHBondContact O-N 2.87Å; D488-Q490 PolarHBondContact O-N 3.41Å |
| 489 | D | 55.3 | Low | 62.7 | Low | 82 Ų | 82 | 134.8 Ų | 134.8 | 44% | 0.439 | 72% | 0.723 | S | S | . | * | | | trans | -66 | 92.7 | 168.8 | -86.1 | -33.7 | 0 | 0 | 0 | 109.3 | S484 I491 | S484-D489 PolarHBondContact OG-OD2 3.46Å; D489-I491 PolarHBondContact O-N 3.48Å |
| 490 | Q | 61.2 | Low | 62.7 | Low | 190 Ų | 190 | 127.9 Ų | 127.9 | 89% | 0.888 | 71% | 0.707 | S | S | * | * | | | trans | -72.2 | 73 | 171.9 | -69 | -166.2 | 31.9 | 0 | 0 | 111.1 | D488 S492 | D488-Q490 PolarHBondContact O-N 3.41Å; Q490-S492 PolarHBondContact O-N 3.26Å |
| 491 | I | 64.7 | Low | 62.2 | Low | 110 Ų | 110 | 131.5 Ų | 131.5 | 56% | 0.564 | 71% | 0.713 | S | S | * | * | | | trans | -68.7 | 78.7 | 171.6 | 48 | 163.7 | 0 | 0 | 0 | 111 | V483 D489 L493 | V483-I491 HydrophobicContact CG1-CD1 4.42Å; D489-I491 PolarHBondContact O-N 3.48Å; I491-L493 VanDerWaalsContact C-N 3.35Å; I491-L493 PolarHBondContact O-N 2.85Å |
| 492 | S | 62.8 | Low | 62.6 | Low | 119 Ų | 119 | 130.9 Ų | 130.9 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | | | trans | -63.1 | 95.9 | 167.4 | -171.1 | 0 | 0 | 0 | 0 | 109.1 | Q490 | Q490-S492 PolarHBondContact O-N 3.26Š|
| 493 | L | 71.4 | Confident | 63.1 | Low | 135 Ų | 135 | 128.7 Ų | 128.7 | 71% | 0.707 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 142.6 | 174.3 | -62.4 | 175.9 | 0 | 0 | 0 | 109.1 | I491 | I491-L493 VanDerWaalsContact C-N 3.35Å; I491-L493 PolarHBondContact O-N 2.85Å |
| 494 | P | 68.3 | Low | 64.2 | Low | 108 Ų | 108 | 128 Ų | 128 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 147.8 | 166.2 | 27.8 | -34.4 | 0 | 0 | 0 | 109.2 | | |
| 495 | P | 71.6 | Confident | 65.6 | Low | 116 Ų | 116 | 128.5 Ų | 128.5 | 75% | 0.753 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 140.8 | 175.7 | 24.4 | -33.7 | 0 | 0 | 0 | 109.7 | | |
| 496 | P | 68.8 | Low | 67.3 | Low | 110 Ų | 110 | 132.5 Ų | 132.5 | 71% | 0.714 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 137.4 | -178.8 | 25.8 | -34.1 | 0 | 0 | 0 | 109.5 | E498 | P496-E498 PolarHBondContact O-N 3.32Š|
| 497 | P | 67.8 | Low | 68.9 | Low | 121 Ų | 121 | 131.2 Ų | 131.2 | 79% | 0.786 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 126.5 | 178.3 | 25.1 | -33.8 | 0 | 0 | 0 | 109 | L499 | P497-L499 PolarHBondContact O-N 3.02Š|
| 498 | E | 68.6 | Low | 70.7 | Confident | 165 Ų | 165 | 123.6 Ų | 123.6 | 77% | 0.771 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 122.6 | -170.7 | -64 | -170.5 | 163.3 | 0 | 0 | 110.7 | P496 G500 | P496-E498 PolarHBondContact O-N 3.32Å; E498-G500 PolarHBondContact O-N 3.04Å |
| 499 | L | 60.8 | Low | 72.6 | Confident | 194 Ų | 194 | 120.5 Ų | 120.5 | 100% | 1.016 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 46.9 | 169.5 | -74.4 | 156.3 | 0 | 0 | 0 | 110.1 | P497 | P497-L499 PolarHBondContact O-N 3.02Š|
| 500 | G | 61.3 | Low | 74.4 | Confident | 48 Ų | 48 | 120.8 Ų | 120.8 | 50% | 0.495 | 67% | 0.665 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -129.9 | 0.4 | -162.3 | 0 | 0 | 0 | 0 | 0 | 115 | E498 T502 | E498-G500 PolarHBondContact O-N 3.04Å; G500-T502 PolarHBondContact O-N 2.92Å |
| 501 | Y | 60 | Low | 76 | Confident | 215 Ų | 215 | 118.1 Ų | 118.1 | 84% | 0.843 | 65% | 0.652 | S | S | * | * | | | trans | -62.9 | 104.1 | 165.9 | -68.9 | -68.5 | 0 | 0 | 0 | 109.1 | I503 | Y501-I503 PolarHBondContact O-N 3.42Š|
| 502 | T | 68.5 | Low | 77.4 | Confident | 123 Ų | 123 | 118.4 Ų | 118.4 | 76% | 0.755 | 65% | 0.649 | S | S | * | * | | | trans | -68 | 96.3 | 172.1 | 44.6 | 0 | 0 | 0 | 0 | 108.3 | G500 T504 | G500-T502 PolarHBondContact O-N 2.92Å; T502-T504 VanDerWaalsContact O-CG2 3.28Å; T502-T504 WeakPolarHBondContact O-CG2 3.34Å; T502-T504 PolarHBondContact O-N 3.4Å |
| 503 | I | 75.9 | Confident | 78.9 | Confident | 113 Ų | 113 | 120 Ų | 120 | 58% | 0.579 | 64% | 0.641 | S | S | * | * | | | trans | -52.3 | 105.3 | 177.7 | -60.6 | 173.2 | 0 | 0 | 0 | 108.3 | Y501 D507 L508 | Y501-I503 PolarHBondContact O-N 3.42Å; I503-D507 HydrophobicContact CG2-CB 4.38Å; I503-L508 HydrophobicContact CG2-CD1 4.28Å; I503-L508 HydrophobicContact CG2-CD2 3.71Å; I503-L508 HydrophobicContact CG2-CG 3.65Å |
| 504 | T | 84.1 | Confident | 80 | Confident | 73 Ų | 73 | 115.6 Ų | 115.6 | 45% | 0.448 | 63% | 0.625 | S | S | . | * | | | trans | -81 | 160.6 | -177.7 | 69 | 0 | 0 | 0 | 0 | 109.8 | T502 R506 D507 L508 | T502-T504 VanDerWaalsContact O-CG2 3.28Å; T502-T504 WeakPolarHBondContact O-CG2 3.34Å; T502-T504 PolarHBondContact O-N 3.4Å; T504-R506 PolarHBondContact O-N 3.33Å; T504-R506 VanDerWaalsContact O-N 3.14Å; T504-R506 PolarHBondContact OG1-N 3.45Å; T504-D507 WeakPolarHBondContact O-CB 3.32Å; T504-D507 PolarHBondContact O-N 3.11Å; T504-D507 VanDerWaalsContact O-N 3.07Å; T504-D507 PolarHBondContact OG1-N 2.99Å; T504-D507 VanDerWaalsContact OG1-N 3.11Å; T504-L508 PolarHBondContact O-N 2.86Å; T504-L508 VanDerWaalsContact O-N 3.15Å |
| 505 | A | 86.1 | Confident | 81.2 | Confident | 75 Ų | 75 | 112.5 Ų | 112.5 | 62% | 0.62 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -56.5 | -30.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D509 | A505-D509 WeakPolarHBondContact O-CB 3.3Å; A505-D509 PolarHBondContact O-N 3.42Å |
| 506 | R | 88.6 | Confident | 82.3 | Confident | 186 Ų | 186 | 111.5 Ų | 111.5 | 70% | 0.702 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.6 | -43.4 | 174.9 | -176.3 | 173.8 | -170.1 | 144 | 6.6 | 112.5 | T504 L508 D509 D510 | T504-R506 PolarHBondContact O-N 3.33Å; T504-R506 VanDerWaalsContact O-N 3.14Å; T504-R506 PolarHBondContact OG1-N 3.45Å; R506-L508 VanDerWaalsContact C-N 3.33Å; R506-L508 PolarHBondContact O-N 2.91Å; R506-D509 PolarHBondContact O-N 3.41Å; R506-D510 WeakPolarHBondContact CG-OD2 3.42Å; R506-D510 IonicContact NE-OD2 3.68Å; R506-D510 WeakPolarHBondContact O-CB 3.38Å; R506-D510 PolarHBondContact O-N 2.84Å |
| 507 | D | 92 | Very high | 83.3 | Confident | 88 Ų | 88 | 109.5 Ų | 109.5 | 47% | 0.471 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.1 | -43.4 | 177.3 | -167.6 | 37.4 | 0 | 0 | 0 | 111.1 | I503 T504 D510 E511 | I503-D507 HydrophobicContact CG2-CB 4.38Å; T504-D507 WeakPolarHBondContact O-CB 3.32Å; T504-D507 PolarHBondContact O-N 3.11Å; T504-D507 VanDerWaalsContact O-N 3.07Å; T504-D507 PolarHBondContact OG1-N 2.99Å; T504-D507 VanDerWaalsContact OG1-N 3.11Å; D507-D510 PolarHBondContact O-N 2.86Å; D507-E511 WeakPolarHBondContact O-CB 3.47Å; D507-E511 PolarHBondContact O-N 3.08Å |
| 508 | L | 92.5 | Very high | 84.6 | Confident | 81 Ų | 81 | 110.6 Ų | 110.6 | 42% | 0.424 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.3 | -42.8 | 172.3 | -67.4 | 172.8 | 0 | 0 | 0 | 112.9 | I503 T504 R506 K512 | I503-L508 HydrophobicContact CG2-CD1 4.28Å; I503-L508 HydrophobicContact CG2-CD2 3.71Å; I503-L508 HydrophobicContact CG2-CG 3.65Å; T504-L508 PolarHBondContact O-N 2.86Å; T504-L508 VanDerWaalsContact O-N 3.15Å; R506-L508 VanDerWaalsContact C-N 3.33Å; R506-L508 PolarHBondContact O-N 2.91Å; L508-K512 WeakPolarHBondContact O-CB 3.5Å; L508-K512 VanDerWaalsContact O-CD 3.25Å; L508-K512 WeakPolarHBondContact O-CD 3.38Å; L508-K512 VanDerWaalsContact O-CG 3.23Å; L508-K512 WeakPolarHBondContact O-CG 3.25Å; L508-K512 PolarHBondContact O-N 3.42Å |
| 509 | D | 93.8 | Very high | 85.7 | Confident | 78 Ų | 78 | 107.7 Ų | 107.7 | 42% | 0.417 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71 | -36.3 | 179.2 | -83.4 | -23.3 | 0 | 0 | 0 | 112.2 | A505 R506 K512 K513 | A505-D509 WeakPolarHBondContact O-CB 3.3Å; A505-D509 PolarHBondContact O-N 3.42Å; R506-D509 PolarHBondContact O-N 3.41Å; D509-K512 PolarHBondContact O-N 2.84Å; D509-K512 IonicContact OD1-NZ 2.65Å; D509-K512 PolarHBondContact OD1-NZ 3.34Å; D509-K513 WeakPolarHBondContact O-CB 3.42Å; D509-K513 WeakPolarHBondContact O-CG 3.31Å; D509-K513 PolarHBondContact O-N 3.41Å |
| 510 | D | 94.3 | Very high | 87 | Confident | 88 Ų | 88 | 104.3 Ų | 104.3 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.3 | -38.1 | 173.7 | -72.6 | -29.8 | 0 | 0 | 0 | 110.9 | R506 D507 K513 A514 | R506-D510 WeakPolarHBondContact CG-OD2 3.42Å; R506-D510 IonicContact NE-OD2 3.68Å; R506-D510 WeakPolarHBondContact O-CB 3.38Å; R506-D510 PolarHBondContact O-N 2.84Å; D507-D510 PolarHBondContact O-N 2.86Å; D510-K513 PolarHBondContact O-N 3.47Å; D510-A514 VanDerWaalsContact O-CB 3.31Å; D510-A514 WeakPolarHBondContact O-CB 3.47Å; D510-A514 PolarHBondContact O-N 2.96Å |
| 511 | E | 93.3 | Very high | 88.5 | Confident | 134 Ų | 134 | 109.7 Ų | 109.7 | 63% | 0.626 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.6 | -48.6 | 168.3 | -173.1 | -173 | -163.8 | 0 | 0 | 111.3 | D507 K513 A514 A515 | D507-E511 WeakPolarHBondContact O-CB 3.47Å; D507-E511 PolarHBondContact O-N 3.08Å; E511-K513 VanDerWaalsContact C-N 3.34Å; E511-K513 PolarHBondContact O-N 3.2Å; E511-A514 CarbonylContact O-C 3.54Å; E511-A514 PolarHBondContact O-N 3.33Å; E511-A515 WeakPolarHBondContact O-CB 3.26Å; E511-A515 PolarHBondContact O-N 3.48Å |
| 512 | K | 94.6 | Very high | 89.8 | Confident | 116 Ų | 116 | 104.9 Ų | 104.9 | 50% | 0.504 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63 | -38.4 | 179.2 | -75.7 | 155.9 | 57.9 | -158 | 0 | 111.9 | L508 D509 A515 I516 | L508-K512 WeakPolarHBondContact O-CB 3.5Å; L508-K512 VanDerWaalsContact O-CD 3.25Å; L508-K512 WeakPolarHBondContact O-CD 3.38Å; L508-K512 VanDerWaalsContact O-CG 3.23Å; L508-K512 WeakPolarHBondContact O-CG 3.25Å; L508-K512 PolarHBondContact O-N 3.42Å; D509-K512 PolarHBondContact O-N 2.84Å; D509-K512 IonicContact OD1-NZ 2.65Å; D509-K512 PolarHBondContact OD1-NZ 3.34Å; K512-A515 PolarHBondContact O-N 3.3Å; K512-I516 WeakPolarHBondContact O-CB 3.3Å; K512-I516 WeakPolarHBondContact O-CD1 2.85Å; K512-I516 VanDerWaalsContact O-CG1 3.24Å; K512-I516 WeakPolarHBondContact O-CG1 3.47Å; K512-I516 PolarHBondContact O-N 2.99Å |
| 513 | K | 94.9 | Very high | 90.2 | Very high | 152 Ų | 152 | 105.2 Ų | 105.2 | 66% | 0.661 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.2 | -44.1 | 173.1 | -70.9 | -77 | -179.3 | 176.5 | 0 | 111 | D509 D510 E511 A515 I516 S517 | D509-K513 WeakPolarHBondContact O-CB 3.42Å; D509-K513 WeakPolarHBondContact O-CG 3.31Å; D509-K513 PolarHBondContact O-N 3.41Å; D510-K513 PolarHBondContact O-N 3.47Å; E511-K513 VanDerWaalsContact C-N 3.34Å; E511-K513 PolarHBondContact O-N 3.2Å; K513-A515 PolarHBondContact O-N 2.87Å; K513-I516 PolarHBondContact O-N 2.9Å; K513-S517 WeakPolarHBondContact O-CB 3.12Å; K513-S517 PolarHBondContact O-N 2.84Å |
| 514 | A | 94.3 | Very high | 89.7 | Confident | 44 Ų | 44 | 107.1 Ų | 107.1 | 36% | 0.364 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.9 | -37.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D510 E511 K518 | D510-A514 VanDerWaalsContact O-CB 3.31Å; D510-A514 WeakPolarHBondContact O-CB 3.47Å; D510-A514 PolarHBondContact O-N 2.96Å; E511-A514 CarbonylContact O-C 3.54Å; E511-A514 PolarHBondContact O-N 3.33Å; A514-K518 WeakPolarHBondContact O-CB 3.45Å; A514-K518 WeakPolarHBondContact O-CD 3.33Å; A514-K518 WeakPolarHBondContact O-CG 3.43Å; A514-K518 PolarHBondContact O-N 3.05Å |
| 515 | A | 94.3 | Very high | 87.7 | Confident | 43 Ų | 43 | 109 Ų | 109 | 36% | 0.355 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67 | -47.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E511 K512 K513 K518 I519 | E511-A515 WeakPolarHBondContact O-CB 3.26Å; E511-A515 PolarHBondContact O-N 3.48Å; K512-A515 PolarHBondContact O-N 3.3Å; K513-A515 PolarHBondContact O-N 2.87Å; A515-K518 PolarHBondContact O-N 3.35Å; A515-I519 VanDerWaalsContact O-CG1 3.31Å; A515-I519 WeakPolarHBondContact O-CG1 3.35Å; A515-I519 PolarHBondContact O-N 2.7Å |
| 516 | I | 93.3 | Very high | 86 | Confident | 95 Ų | 95 | 111.5 Ų | 111.5 | 49% | 0.487 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63 | -43.2 | 176 | -68.1 | 165.1 | 0 | 0 | 0 | 110.6 | K512 K513 K518 I519 Q520 | K512-I516 WeakPolarHBondContact O-CB 3.3Å; K512-I516 WeakPolarHBondContact O-CD1 2.85Å; K512-I516 VanDerWaalsContact O-CG1 3.24Å; K512-I516 WeakPolarHBondContact O-CG1 3.47Å; K512-I516 PolarHBondContact O-N 2.99Å; K513-I516 PolarHBondContact O-N 2.9Å; I516-K518 PolarHBondContact O-N 2.66Å; I516-I519 PolarHBondContact O-N 3.28Å; I516-I519 VanDerWaalsContact O-N 3.16Å; I516-Q520 HydrophobicContact CG2-CG 4.44Å; I516-Q520 WeakPolarHBondContact O-CG 3.28Å; I516-Q520 PolarHBondContact O-N 3Å |
| 517 | S | 91.1 | Very high | 83.5 | Confident | 68 Ų | 68 | 107.2 Ų | 107.2 | 48% | 0.476 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.9 | -41.7 | 175.8 | 176.5 | 0 | 0 | 0 | 0 | 112.5 | K513 I519 Q520 K521 | K513-S517 WeakPolarHBondContact O-CB 3.12Å; K513-S517 PolarHBondContact O-N 2.84Å; S517-I519 VanDerWaalsContact C-N 3.34Å; S517-I519 PolarHBondContact O-N 2.92Å; S517-Q520 PolarHBondContact O-N 3.15Å; S517-K521 VanDerWaalsContact O-CB 3.31Å; S517-K521 WeakPolarHBondContact O-CB 3.4Å; S517-K521 PolarHBondContact O-N 3.47Å |
| 518 | K | 94.1 | Very high | 80.8 | Confident | 143 Ų | 143 | 108.6 Ų | 108.6 | 62% | 0.622 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.2 | -41.3 | 172.2 | -75.7 | 164.5 | -175 | 171.3 | 0 | 111.9 | A514 A515 I516 V522 | A514-K518 WeakPolarHBondContact O-CB 3.45Å; A514-K518 WeakPolarHBondContact O-CD 3.33Å; A514-K518 WeakPolarHBondContact O-CG 3.43Å; A514-K518 PolarHBondContact O-N 3.05Å; A515-K518 PolarHBondContact O-N 3.35Å; I516-K518 PolarHBondContact O-N 2.66Å; K518-V522 WeakPolarHBondContact O-CB 3.24Å; K518-V522 VanDerWaalsContact O-CG2 3.28Å; K518-V522 WeakPolarHBondContact O-CG2 3.46Å; K518-V522 PolarHBondContact O-N 3.05Å; K518-V522 VanDerWaalsContact O-N 3.07Å |
| 519 | I | 92 | Very high | 77.8 | Confident | 104 Ų | 104 | 113.7 Ų | 113.7 | 53% | 0.533 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.3 | -47.8 | 176.6 | -68.7 | 163.8 | 0 | 0 | 0 | 110.3 | A515 I516 S517 K521 V522 L523 | A515-I519 VanDerWaalsContact O-CG1 3.31Å; A515-I519 WeakPolarHBondContact O-CG1 3.35Å; A515-I519 PolarHBondContact O-N 2.7Å; I516-I519 PolarHBondContact O-N 3.28Å; I516-I519 VanDerWaalsContact O-N 3.16Å; S517-I519 VanDerWaalsContact C-N 3.34Å; S517-I519 PolarHBondContact O-N 2.92Å; I519-K521 PolarHBondContact O-N 3.21Å; I519-V522 PolarHBondContact O-N 3.04Å; I519-V522 VanDerWaalsContact O-N 3.14Å; I519-L523 HydrophobicContact CG2-CD1 4.09Å; I519-L523 WeakPolarHBondContact O-CD1 3.42Å; I519-L523 PolarHBondContact O-N 3.3Å |
| 520 | Q | 88.9 | Confident | 75.4 | Confident | 124 Ų | 124 | 115.7 Ų | 115.7 | 58% | 0.579 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -56.8 | -50 | 175.7 | -71.9 | -179.1 | -91.9 | 0 | 0 | 111.2 | I516 S517 V522 L523 E524 | I516-Q520 HydrophobicContact CG2-CG 4.44Å; I516-Q520 WeakPolarHBondContact O-CG 3.28Å; I516-Q520 PolarHBondContact O-N 3Å; S517-Q520 PolarHBondContact O-N 3.15Å; Q520-V522 PolarHBondContact O-N 2.78Å; Q520-L523 CarbonylContact O-C 3.54Å; Q520-L523 PolarHBondContact O-N 3Å; Q520-E524 WeakPolarHBondContact O-CB 3.47Å; Q520-E524 PolarHBondContact O-N 3.48Å |
| 521 | K | 92.4 | Very high | 72.4 | Confident | 161 Ų | 161 | 118.6 Ų | 118.6 | 70% | 0.7 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -62.6 | -22 | 178.2 | -176.2 | 167.4 | -178.4 | 169.8 | 0 | 114.4 | S517 I519 | S517-K521 VanDerWaalsContact O-CB 3.31Å; S517-K521 WeakPolarHBondContact O-CB 3.4Å; S517-K521 PolarHBondContact O-N 3.47Å; I519-K521 PolarHBondContact O-N 3.21Å |
| 522 | V | 86.9 | Confident | 69.3 | Low | 114 Ų | 114 | 119.6 Ų | 119.6 | 69% | 0.691 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -87.3 | -29.2 | 173.4 | 168.4 | 0 | 0 | 0 | 0 | 112 | K518 I519 Q520 E524 | K518-V522 WeakPolarHBondContact O-CB 3.24Å; K518-V522 VanDerWaalsContact O-CG2 3.28Å; K518-V522 WeakPolarHBondContact O-CG2 3.46Å; K518-V522 PolarHBondContact O-N 3.05Å; K518-V522 VanDerWaalsContact O-N 3.07Å; I519-V522 PolarHBondContact O-N 3.04Å; I519-V522 VanDerWaalsContact O-N 3.14Å; Q520-V522 PolarHBondContact O-N 2.78Å; V522-E524 VanDerWaalsContact C-N 3.35Å |
| 523 | L | 77.4 | Confident | 66 | Low | 130 Ų | 130 | 118.7 Ų | 118.7 | 68% | 0.681 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -78.6 | -20.4 | 171.1 | -90.3 | 66.5 | 0 | 0 | 0 | 112.5 | I519 Q520 T525 | I519-L523 HydrophobicContact CG2-CD1 4.09Å; I519-L523 WeakPolarHBondContact O-CD1 3.42Å; I519-L523 PolarHBondContact O-N 3.3Å; Q520-L523 CarbonylContact O-C 3.54Å; Q520-L523 PolarHBondContact O-N 3Å; L523-T525 PolarHBondContact O-N 2.87Å |
| 524 | E | 64.9 | Low | 62.7 | Low | 152 Ų | 152 | 119.8 Ų | 119.8 | 71% | 0.71 | 66% | 0.662 | S | S | * | * | | | trans | -75.2 | 61.1 | 176.9 | -162.8 | 161 | -154.3 | 0 | 0 | 111.8 | Q520 V522 | Q520-E524 WeakPolarHBondContact O-CB 3.47Å; Q520-E524 PolarHBondContact O-N 3.48Å; V522-E524 VanDerWaalsContact C-N 3.35Å |
| 525 | T | 41.7 | Very low | 59.8 | Low | 114 Ų | 114 | 122.8 Ų | 122.8 | 70% | 0.699 | 68% | 0.678 | S | S | * | * | | | trans | -69 | 135.5 | 161.8 | -58.9 | 0 | 0 | 0 | 0 | 107.9 | L523 A527 | L523-T525 PolarHBondContact O-N 2.87Å; T525-A527 PolarHBondContact O-N 3.09Å; T525-A527 VanDerWaalsContact O-N 3.11Å |
| 526 | P | 51.2 | Low | 57.3 | Low | 126 Ų | 126 | 126.2 Ų | 126.2 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | | | trans | -65.2 | 114 | -158.2 | 23.1 | -35.1 | 0 | 0 | 0 | 113.8 | | |
| 527 | A | 36 | Very low | 54.1 | Low | 97 Ų | 97 | 131.1 Ų | 131.1 | 80% | 0.802 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 139.3 | 154.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | T525 | T525-A527 PolarHBondContact O-N 3.09Å; T525-A527 VanDerWaalsContact O-N 3.11Å |
| 528 | S | 33.9 | Very low | 50.9 | Low | 117 Ų | 117 | 132 Ų | 132 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 147.9 | -175.8 | 50.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 529 | E | 31 | Very low | 47.7 | Very low | 187 Ų | 187 | 131 Ų | 131 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 137.3 | 176.6 | -174.7 | 170.1 | -143.4 | 0 | 0 | 113.6 | | |
| 530 | P | 43.1 | Very low | 44.5 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | | | trans | -105.3 | 128.2 | 179.2 | 36.1 | -29.9 | 0 | 0 | 0 | 114 | | |
| 531 | E | 31.5 | Very low | 41.5 | Very low | 150 Ų | 150 | 130 Ų | 130 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | | | trans | -114.4 | 128.6 | 172.9 | -104.6 | -81.3 | 128.1 | 0 | 0 | 112.6 | | |
| 532 | K | 27.9 | Very low | 38.3 | Very low | 154 Ų | 154 | 127.2 Ų | 127.2 | 67% | 0.67 | 75% | 0.747 | S | S | * | * | | | trans | 46.7 | 96.1 | 157.1 | -70.3 | -175.1 | -172.1 | 70 | 0 | 122.9 | | |
| 533 | S | 26.2 | Very low | 35.4 | Very low | 97 Ų | 97 | 130.5 Ų | 130.5 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | | | | 38.2 | 115.3 | 113.5 | 66.5 | 0 | 0 | 0 | 0 | 122.9 | | |
| 534 | M | 24.5 | Very low | 33.3 | Very low | 176 Ų | 176 | 129.5 Ų | 129.5 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | | | | 61.8 | 155.9 | 121 | -88.3 | -177.9 | 70.4 | 0 | 0 | 122.9 | | |
| 535 | P | 34 | Very low | 31.3 | Very low | 106 Ų | 106 | 127.3 Ų | 127.3 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | | | cis | -130.6 | -136.8 | -18.1 | 47.2 | -28.3 | 0 | 0 | 0 | 111.3 | | |
| 536 | P | 41.8 | Very low | 30.8 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | | | trans | -120 | 163.5 | -147.4 | 41.5 | -22.5 | 0 | 0 | 0 | 116.6 | | |
| 537 | E | 25.5 | Very low | 30.4 | Very low | 198 Ų | 198 | 126 Ų | 126 | 93% | 0.925 | 77% | 0.765 | S | S | * | * | | | trans | -156.5 | 166.3 | 141.4 | -134.1 | 168.3 | -141.1 | 0 | 0 | 112.4 | | |
| 538 | A | 25.1 | Very low | 30.1 | Very low | 86 Ų | 86 | 128 Ų | 128 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | trans | -114.1 | 146.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 539 | S | 25.1 | Very low | 29.9 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | | | trans | -157.9 | 149.4 | 159.1 | -93.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 540 | T | 25.9 | Very low | 29.9 | Very low | 134 Ų | 134 | 123 Ų | 123 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | | | trans | -78.3 | 162.3 | -177.4 | 40.3 | 0 | 0 | 0 | 0 | 113.8 | T542 | T540-T542 PolarHBondContact O-N 3.45Š|
| 541 | S | 25.4 | Very low | 29.3 | Very low | 74 Ų | 74 | 125 Ų | 125 | 52% | 0.517 | 76% | 0.757 | S | S | . | * | | | trans | -31.8 | 124.2 | 156.9 | 168.6 | 0 | 0 | 0 | 0 | 115.2 | F995 | S541-F995 WeakPolarHBondContact OG-CE1 3.37Å; S541-F995 WeakPolarHBondContact OG-CZ 2.94Å |
| 542 | T | 25.4 | Very low | 29 | Very low | 102 Ų | 102 | 123.1 Ų | 123.1 | 63% | 0.626 | 76% | 0.76 | S | S | * | * | | | | 38.6 | 116.3 | 126.4 | -39.4 | 0 | 0 | 0 | 0 | 119.4 | T540 | T540-T542 PolarHBondContact O-N 3.45Š|
| 543 | Q | 26.3 | Very low | 29 | Very low | 183 Ų | 183 | 120.6 Ų | 120.6 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | | | | -165.7 | 133.8 | 117 | -176.3 | 165.7 | -24.3 | 0 | 0 | 111.8 | | |
| 544 | P | 32.3 | Very low | 29.1 | Very low | 109 Ų | 109 | 123.5 Ų | 123.5 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | | | trans | -93.2 | 163.7 | 169.9 | 37.1 | -34.6 | 0 | 0 | 0 | 112.9 | | |
| 545 | A | 23.6 | Very low | 29.4 | Very low | 106 Ų | 106 | 123.2 Ų | 123.2 | 88% | 0.876 | 77% | 0.77 | S | S | * | * | | | trans | -143.8 | 130.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 546 | A | 30.3 | Very low | 29 | Very low | 98 Ų | 98 | 122.1 Ų | 122.1 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | | | trans | -143.9 | 139.6 | 168 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 547 | P | 43.9 | Very low | 28.3 | Very low | 113 Ų | 113 | 121.2 Ų | 121.2 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | -103.9 | 141.6 | -168.3 | 36.9 | -32.8 | 0 | 0 | 0 | 114.9 | | |
| 548 | T | 29.2 | Very low | 29.2 | Very low | 140 Ų | 140 | 117.5 Ų | 117.5 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | | | trans | 63.4 | 142.7 | 152 | 41 | 0 | 0 | 0 | 0 | 119.5 | | |
| 549 | A | 30.6 | Very low | 29.3 | Very low | 77 Ų | 77 | 120.6 Ų | 120.6 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | | | cis | -159.8 | 168.5 | -3.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 550 | T | 30.6 | Very low | 29.9 | Very low | 123 Ų | 123 | 120.6 Ų | 120.6 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | trans | 69.3 | 103.9 | 147.5 | 44.1 | 0 | 0 | 0 | 0 | 122.8 | | |
| 551 | L | 30.5 | Very low | 29.9 | Very low | 161 Ų | 161 | 119.9 Ų | 119.9 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | | | | 87.6 | 130.5 | 126.9 | -61.4 | 176.3 | 0 | 0 | 0 | 123.2 | | |
| 552 | S | 25.8 | Very low | 30 | Very low | 110 Ų | 110 | 120.8 Ų | 120.8 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | trans | 83.6 | 103.9 | 144.7 | -63.1 | 0 | 0 | 0 | 0 | 123 | | |
| 553 | S | 26.2 | Very low | 30.2 | Very low | 101 Ų | 101 | 122 Ų | 122 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | | 82.7 | 100.6 | 124.9 | -165.5 | 0 | 0 | 0 | 0 | 122.9 | | |
| 554 | L | 29.3 | Very low | 30.3 | Very low | 158 Ų | 158 | 118.2 Ų | 118.2 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | | | trans | 65.2 | 123.8 | 130.1 | -63 | 175.5 | 0 | 0 | 0 | 123.3 | | |
| 555 | L | 30.5 | Very low | 30.1 | Very low | 170 Ų | 170 | 118.9 Ų | 118.9 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | | | trans | 102 | 145.5 | 130.9 | -144.9 | 68.4 | 0 | 0 | 0 | 121.3 | | |
| 556 | A | 25.4 | Very low | 30.5 | Very low | 84 Ų | 84 | 119.9 Ų | 119.9 | 69% | 0.694 | 77% | 0.766 | S | S | * | * | | | trans | 81.4 | 94.9 | 151.1 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 557 | A | 28.3 | Very low | 30.9 | Very low | 97 Ų | 97 | 120.7 Ų | 120.7 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | | | | 73.4 | -172.4 | 118.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 558 | P | 44.5 | Very low | 30.2 | Very low | 120 Ų | 120 | 121.2 Ų | 121.2 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | | | | -135.4 | 176.4 | -114.5 | 37.3 | -14.5 | 0 | 0 | 0 | 117.8 | | |
| 559 | L | 26.6 | Very low | 30.3 | Very low | 150 Ų | 150 | 121.2 Ų | 121.2 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | 28.8 | 133.9 | 153 | -145.2 | 83.5 | 0 | 0 | 0 | 120.4 | | |
| 560 | P | 36.8 | Very low | 30.2 | Very low | 123 Ų | 123 | 124 Ų | 124 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | | | | -142.4 | 163.9 | 108.8 | 35.1 | -20.7 | 0 | 0 | 0 | 117.3 | | |
| 561 | T | 27.6 | Very low | 30.2 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | | | trans | -72.8 | 169.5 | 172.4 | 49.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 562 | S | 27.5 | Very low | 30 | Very low | 93 Ų | 93 | 124.4 Ų | 124.4 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | | | | 166.6 | 142.1 | 105.4 | -156.9 | 0 | 0 | 0 | 0 | 116.3 | | |
| 563 | T | 28.7 | Very low | 31.1 | Very low | 127 Ų | 127 | 123.6 Ų | 123.6 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | | | trans | 42.2 | 158 | 140.2 | 53.8 | 0 | 0 | 0 | 0 | 124.3 | | |
| 564 | S | 28.7 | Very low | 31.5 | Very low | 104 Ų | 104 | 126.5 Ų | 126.5 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | cis | 178.9 | -178.9 | -18.7 | -174.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 565 | V | 27.8 | Very low | 32.5 | Very low | 122 Ų | 122 | 124.9 Ų | 124.9 | 74% | 0.739 | 76% | 0.756 | S | S | * | * | | | trans | 86.6 | 133.8 | 158.4 | -169.2 | 0 | 0 | 0 | 0 | 119.9 | | |
| 566 | V | 32.8 | Very low | 32.3 | Very low | 128 Ų | 128 | 120.4 Ų | 120.4 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | | | trans | -140.8 | 136.9 | 163.3 | 173.6 | 0 | 0 | 0 | 0 | 107.6 | V568 | V566-V568 HydrophobicContact CG1-CG2 4.27Š|
| 567 | P | 38.6 | Very low | 32.6 | Very low | 115 Ų | 115 | 119.8 Ų | 119.8 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | | | trans | -140.7 | -168.3 | 132 | 34.8 | -17.5 | 0 | 0 | 0 | 113.3 | | |
| 568 | V | 27.9 | Very low | 32.6 | Very low | 124 Ų | 124 | 120.9 Ų | 120.9 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | | | trans | -145.3 | 166.5 | -155.3 | -165.4 | 0 | 0 | 0 | 0 | 111.2 | V566 | V566-V568 HydrophobicContact CG1-CG2 4.27Š|
| 569 | I | 32.3 | Very low | 31.9 | Very low | 140 Ų | 140 | 120.4 Ų | 120.4 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | | | trans | 106.7 | 109.7 | 154.8 | -56.6 | 175.8 | 0 | 0 | 0 | 118.7 | | |
| 570 | N | 27.3 | Very low | 32 | Very low | 136 Ų | 136 | 119 Ų | 119 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | 70.7 | 127.7 | 142.4 | -65.4 | 3 | 0 | 0 | 0 | 127 | | |
| 571 | L | 30.6 | Very low | 31.6 | Very low | 141 Ų | 141 | 117.3 Ų | 117.3 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | | | trans | 54.9 | 116.5 | 133.1 | -78.1 | 80.6 | 0 | 0 | 0 | 123 | | |
| 572 | D | 27.3 | Very low | 31.5 | Very low | 150 Ų | 150 | 116.1 Ų | 116.1 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | | | | 46.2 | 158.5 | 118.2 | -81.8 | 3.1 | 0 | 0 | 0 | 123.6 | | |
| 573 | P | 48.9 | Very low | 31.3 | Very low | 94 Ų | 94 | 116.2 Ų | 116.2 | 61% | 0.61 | 76% | 0.762 | S | S | * | * | | | cis | -145.5 | 167 | -29.4 | 39.7 | -22.2 | 0 | 0 | 0 | 116.8 | | |
| 574 | I | 33.6 | Very low | 31.9 | Very low | 162 Ų | 162 | 115.8 Ų | 115.8 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | | | trans | 68.6 | 164.4 | 146.6 | -78.4 | 167.3 | 0 | 0 | 0 | 116.7 | | |
| 575 | P | 52 | Low | 31.7 | Very low | 123 Ų | 123 | 116 Ų | 116 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | | | cis | -124.5 | 174.4 | 1.6 | 29.1 | -7.6 | 0 | 0 | 0 | 117.7 | | |
| 576 | G | 26.4 | Very low | 31.6 | Very low | 77 Ų | 77 | 113.7 Ų | 113.7 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | | | trans | 176.4 | 106.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 577 | G | 29.9 | Very low | 32.1 | Very low | 71 Ų | 71 | 113.1 Ų | 113.1 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | | | trans | 68.5 | 111.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 578 | S | 29.8 | Very low | 31.6 | Very low | 120 Ų | 120 | 112.4 Ų | 112.4 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | | | | 70.2 | 123.7 | 60.5 | 77.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 579 | S | 29.2 | Very low | 31.6 | Very low | 109 Ų | 109 | 112 Ų | 112 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | | | cis | -169.2 | 146.9 | 5.7 | 51.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 580 | S | 27.7 | Very low | 31.4 | Very low | 121 Ų | 121 | 112.6 Ų | 112.6 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | | | trans | 68.3 | 145.2 | 146 | -157.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 581 | A | 29.3 | Very low | 31.7 | Very low | 87 Ų | 87 | 113.6 Ų | 113.6 | 72% | 0.719 | 77% | 0.773 | S | S | * | * | | | cis | -169.3 | 164.3 | -29.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 582 | A | 25.1 | Very low | 31.9 | Very low | 95 Ų | 95 | 114.5 Ų | 114.5 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | trans | 77.2 | 107.8 | 151.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 583 | A | 23.3 | Very low | 32.2 | Very low | 95 Ų | 95 | 111.4 Ų | 111.4 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | | 74.7 | -176.3 | 129.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 584 | P | 40.3 | Very low | 31.3 | Very low | 117 Ų | 117 | 114.3 Ų | 114.3 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | | | | -136.5 | 168.2 | -88.6 | 41.9 | -25.8 | 0 | 0 | 0 | 117 | | |
| 585 | A | 24.8 | Very low | 31.2 | Very low | 110 Ų | 110 | 115.9 Ų | 115.9 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | | | trans | 63.4 | 173.4 | 161.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 586 | G | 26.9 | Very low | 30.4 | Very low | 72 Ų | 72 | 116 Ų | 116 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | | | trans | 117.5 | 161.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 587 | P | 43.7 | Very low | 30.6 | Very low | 116 Ų | 116 | 121 Ų | 121 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | trans | -114.4 | 173.3 | -171.4 | 42 | -32 | 0 | 0 | 0 | 114.4 | | |
| 588 | S | 27.4 | Very low | 30.8 | Very low | 100 Ų | 100 | 123.7 Ų | 123.7 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | trans | 41.7 | 136 | 142.5 | 68.2 | 0 | 0 | 0 | 0 | 120.3 | | |
| 589 | T | 28.2 | Very low | 30.7 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | | -170 | 157.1 | 59 | 42.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 590 | L | 27.1 | Very low | 31 | Very low | 154 Ų | 154 | 125.4 Ų | 125.4 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | | | trans | 47.4 | 116.8 | 141.3 | -63.7 | 169.2 | 0 | 0 | 0 | 120.9 | | |
| 591 | L | 34.6 | Very low | 31.6 | Very low | 156 Ų | 156 | 125.2 Ų | 125.2 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | | | | -177.9 | 144.2 | 111.1 | -91.1 | 171.4 | 0 | 0 | 0 | 106.3 | | |
| 592 | E | 33.3 | Very low | 31.5 | Very low | 160 Ų | 160 | 128 Ų | 128 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | cis | 175.3 | 153.1 | -26.2 | 170.7 | 164.4 | 173.7 | 0 | 0 | 104.2 | | |
| 593 | A | 35.3 | Very low | 31.7 | Very low | 86 Ų | 86 | 128.4 Ų | 128.4 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | | | trans | 66.4 | 153.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 594 | L | 29.8 | Very low | 31.9 | Very low | 154 Ų | 154 | 128.8 Ų | 128.8 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | | | cis | -170.4 | 101.8 | -47.7 | -115.3 | 162 | 0 | 0 | 0 | 111.2 | | |
| 595 | K | 30.5 | Very low | 31.3 | Very low | 195 Ų | 195 | 131 Ų | 131 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | | | trans | 179.5 | 116.2 | 150.4 | -100.4 | 151.3 | -176.3 | 174.7 | 0 | 109.8 | | |
| 596 | V | 35 | Very low | 31.3 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | | | | 63.5 | 93.1 | 91.9 | 177.7 | 0 | 0 | 0 | 0 | 110 | | |
| 597 | K | 30.8 | Very low | 31.2 | Very low | 182 Ų | 182 | 133.2 Ų | 133.2 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | | | cis | 68.3 | 135.1 | 42.7 | -140 | -155.4 | 171.4 | -164.9 | 0 | 109.9 | | |
| 598 | I | 33.6 | Very low | 30.4 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 66% | 0.656 | 77% | 0.767 | S | S | * | * | | | cis | -144.3 | 150.9 | 28.4 | -66.3 | 157.8 | 0 | 0 | 0 | 111.1 | | |
| 599 | S | 27.6 | Very low | 30.3 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | trans | -131 | 167.3 | 143 | -60.7 | 0 | 0 | 0 | 0 | 109 | | |
| 600 | D | 35.5 | Very low | 30.3 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | | | trans | -61.8 | 162.1 | -160.1 | -47.6 | -73.1 | 0 | 0 | 0 | 116.9 | | |
| 601 | P | 41.8 | Very low | 30.3 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | | -149.8 | 171.8 | 108.5 | 40.8 | -26.9 | 0 | 0 | 0 | 115.3 | | |
| 602 | T | 27.1 | Very low | 30 | Very low | 144 Ų | 144 | 132.4 Ų | 132.4 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | | | trans | -159 | 128.1 | 149.9 | -73.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 603 | S | 28.3 | Very low | 29.7 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | trans | -151.1 | 134.8 | 157.7 | 53.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 604 | S | 28.6 | Very low | 29.3 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | | | trans | 30.2 | 136.3 | 151.9 | 64.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 605 | M | 28.1 | Very low | 29.3 | Very low | 163 Ų | 163 | 129 Ų | 129 | 80% | 0.803 | 77% | 0.774 | S | S | * | * | | | | -166.9 | 157.7 | 59.7 | -79.9 | -175.9 | 60.1 | 0 | 0 | 115.2 | | |
| 606 | S | 23.3 | Very low | 29.1 | Very low | 92 Ų | 92 | 125.2 Ų | 125.2 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | | | trans | 50.6 | 115.2 | 142.6 | 65 | 0 | 0 | 0 | 0 | 124.3 | | |
| 607 | V | 25.1 | Very low | 29 | Very low | 136 Ų | 136 | 123.4 Ų | 123.4 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | | | | 50.8 | 115.3 | 121.1 | -175.6 | 0 | 0 | 0 | 0 | 120.4 | | |
| 608 | A | 26.9 | Very low | 28.8 | Very low | 95 Ų | 95 | 121.1 Ų | 121.1 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | | -171.7 | 124.5 | 121 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 609 | N | 26.6 | Very low | 28.6 | Very low | 147 Ų | 147 | 118.8 Ų | 118.8 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | | | trans | 8.3 | 147.1 | 153.7 | -52.9 | -2.1 | 0 | 0 | 0 | 124.5 | | |
| 610 | T | 26.8 | Very low | 29.8 | Very low | 139 Ų | 139 | 119.2 Ų | 119.2 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | | | trans | 120.1 | 133.3 | 132.6 | -30.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 611 | T | 28 | Very low | 30.6 | Very low | 115 Ų | 115 | 117.3 Ų | 117.3 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | | | trans | -76 | 142.4 | -177.2 | -47.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 612 | T | 27.3 | Very low | 30.2 | Very low | 128 Ų | 128 | 115.7 Ų | 115.7 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | trans | 161.1 | 116.2 | 132.8 | 41.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 613 | V | 28.3 | Very low | 30.5 | Very low | 122 Ų | 122 | 114 Ų | 114 | 74% | 0.739 | 75% | 0.754 | S | S | * | * | | | | 90.3 | 123.1 | 68 | 166.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 614 | S | 26.4 | Very low | 30.4 | Very low | 109 Ų | 109 | 114.5 Ų | 114.5 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | | | trans | 66.2 | 115.4 | 166.7 | -65.1 | 0 | 0 | 0 | 0 | 118.8 | | |
| 615 | A | 29.2 | Very low | 30.5 | Very low | 99 Ų | 99 | 118 Ų | 118 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | | 96.3 | 156 | 84.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 616 | S | 26.8 | Very low | 30.4 | Very low | 115 Ų | 115 | 117.2 Ų | 117.2 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | cis | -159.1 | 177.9 | 14.1 | -165.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 617 | A | 31.8 | Very low | 30.8 | Very low | 87 Ų | 87 | 119.8 Ų | 119.8 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | | | trans | 69.2 | 151 | 154.9 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 618 | T | 27.1 | Very low | 30.7 | Very low | 135 Ų | 135 | 122.9 Ų | 122.9 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | | | cis | -161.5 | 161.3 | -15.4 | -97.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 619 | A | 29.3 | Very low | 30.7 | Very low | 79 Ų | 79 | 123.8 Ų | 123.8 | 65% | 0.653 | 76% | 0.764 | S | S | * | * | | | trans | -82.1 | -134.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 620 | P | 54.3 | Low | 30.7 | Very low | 119 Ų | 119 | 122 Ų | 122 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | cis | -84.6 | -168.6 | 5.4 | 39.6 | -40.1 | 0 | 0 | 0 | 112.8 | | |
| 621 | P | 50.9 | Low | 31 | Very low | 113 Ų | 113 | 121.1 Ų | 121.1 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | | | cis | -115.9 | -176.9 | -1.3 | 45 | -31.3 | 0 | 0 | 0 | 113 | | |
| 622 | A | 33.9 | Very low | 31.5 | Very low | 84 Ų | 84 | 121.7 Ų | 121.7 | 69% | 0.694 | 76% | 0.763 | S | S | * | * | | | cis | 79.5 | 150.5 | 19 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 623 | T | 33.7 | Very low | 31.5 | Very low | 108 Ų | 108 | 121.7 Ų | 121.7 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | | | cis | -97.9 | -109.5 | 1.9 | 45 | 0 | 0 | 0 | 0 | 113.4 | | |
| 624 | T | 26.4 | Very low | 32.2 | Very low | 116 Ų | 116 | 121.4 Ų | 121.4 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | | | cis | -151.2 | -164.5 | 6.1 | -35.2 | 0 | 0 | 0 | 0 | 109 | | |
| 625 | F | 31.2 | Very low | 32.3 | Very low | 178 Ų | 178 | 122.5 Ų | 122.5 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | | | trans | -132.9 | 172.1 | -167.9 | -43.6 | -62.8 | 0 | 0 | 0 | 111.2 | | |
| 626 | T | 26 | Very low | 32.3 | Very low | 145 Ų | 145 | 122.1 Ų | 122.1 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | | | cis | -134.3 | -162.4 | 17.9 | 62.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 627 | L | 30.5 | Very low | 33.3 | Very low | 147 Ų | 147 | 122.3 Ų | 122.3 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | trans | -153.8 | 138.7 | -166.3 | 170.3 | 149.9 | 0 | 0 | 0 | 114.6 | T629 | L627-T629 VanDerWaalsContact CD2-OG1 3.29Å; L627-T629 WeakPolarHBondContact CD2-OG1 3.29Å |
| 628 | K | 24.2 | Very low | 33.6 | Very low | 201 Ų | 201 | 123.9 Ų | 123.9 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | | | trans | -154.2 | 134.4 | 151.5 | -94.1 | -177 | 177.3 | 178.7 | 0 | 107.6 | | |
| 629 | T | 26.7 | Very low | 33.5 | Very low | 113 Ų | 113 | 121.7 Ų | 121.7 | 69% | 0.693 | 76% | 0.759 | S | S | * | * | | | cis | 86.1 | 128.6 | 30.5 | -53.3 | 0 | 0 | 0 | 0 | 111.8 | L627 | L627-T629 VanDerWaalsContact CD2-OG1 3.29Å; L627-T629 WeakPolarHBondContact CD2-OG1 3.29Å |
| 630 | S | 26.9 | Very low | 33.3 | Very low | 111 Ų | 111 | 122.9 Ų | 122.9 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | cis | -150.4 | 171.3 | 25.1 | 54.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 631 | T | 31.3 | Very low | 32 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | | | trans | -77.4 | 170.9 | 165.1 | -9.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 632 | P | 38.9 | Very low | 30.7 | Very low | 126 Ų | 126 | 125.1 Ų | 125.1 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | | -153.1 | -156.9 | 79.2 | 42.2 | -19.6 | 0 | 0 | 0 | 117.4 | | |
| 633 | V | 27 | Very low | 30.3 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | trans | -151 | 158.2 | -156.4 | 152.5 | 0 | 0 | 0 | 0 | 109 | | |
| 634 | P | 43.6 | Very low | 30 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | cis | -121.5 | -132.1 | 22.9 | 36.1 | -12.7 | 0 | 0 | 0 | 115.2 | | |
| 635 | T | 28.6 | Very low | 30.3 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | | | cis | -151 | 174.3 | 32.3 | -54.8 | 0 | 0 | 0 | 0 | 112 | | |
| 636 | A | 29 | Very low | 29.9 | Very low | 91 Ų | 91 | 127.9 Ų | 127.9 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | | | trans | -96.2 | 174.7 | -163.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 637 | P | 48.3 | Very low | 30 | Very low | 118 Ų | 118 | 125.9 Ų | 125.9 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | trans | -96.9 | 179.7 | -166.7 | 41.3 | -37.4 | 0 | 0 | 0 | 114.7 | | |
| 638 | P | 37.3 | Very low | 29.8 | Very low | 121 Ų | 121 | 124 Ų | 124 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | | | | -152.4 | 156.4 | 100.8 | 40.4 | -23.4 | 0 | 0 | 0 | 118.6 | | |
| 639 | A | 25.7 | Very low | 30 | Very low | 88 Ų | 88 | 118.6 Ų | 118.6 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | 36.6 | 144.9 | 136.7 | 0 | 0 | 0 | 0 | 0 | 126 | | |
| 640 | S | 24.8 | Very low | 30 | Very low | 105 Ų | 105 | 117.4 Ų | 117.4 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | trans | 87.1 | 132.9 | 139.4 | -70.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 641 | Q | 27.5 | Very low | 30.1 | Very low | 181 Ų | 181 | 119.7 Ų | 119.7 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | trans | 58.2 | 150.6 | 147.4 | -70.7 | 177.2 | -13.7 | 0 | 0 | 118.3 | | |
| 642 | S | 22.9 | Very low | 30 | Very low | 98 Ų | 98 | 117.1 Ų | 117.1 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | | | cis | 167.3 | 174.1 | -17 | -91.8 | 0 | 0 | 0 | 0 | 104.6 | | |
| 643 | Q | 26.8 | Very low | 30 | Very low | 198 Ų | 198 | 119.8 Ų | 119.8 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | | | trans | 74.6 | 112.6 | 169.2 | -58.3 | -176.5 | -31.9 | 0 | 0 | 117.8 | | |
| 644 | S | 25.9 | Very low | 30.7 | Very low | 114 Ų | 114 | 119.3 Ų | 119.3 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | trans | -63.4 | 165.8 | 155.1 | -31.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 645 | P | 32.6 | Very low | 30 | Very low | 125 Ų | 125 | 118.6 Ų | 118.6 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | | -144.7 | 157.5 | 100.9 | 38.7 | -25.3 | 0 | 0 | 0 | 117.4 | | |
| 646 | S | 24.4 | Very low | 29.9 | Very low | 106 Ų | 106 | 115 Ų | 115 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | | | trans | -28.4 | 163.5 | 141.5 | -77.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 647 | S | 27.5 | Very low | 30.4 | Very low | 104 Ų | 104 | 120.7 Ų | 120.7 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | cis | -171.6 | 163.8 | -1.7 | -102.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 648 | A | 26.5 | Very low | 30.4 | Very low | 106 Ų | 106 | 120.5 Ų | 120.5 | 88% | 0.876 | 77% | 0.771 | S | S | * | * | | | trans | 62.2 | 169 | 161 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 649 | A | 27.1 | Very low | 30.1 | Very low | 88 Ų | 88 | 122.5 Ų | 122.5 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | cis | -134 | 146.4 | -11.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 650 | A | 28 | Very low | 30.2 | Very low | 88 Ų | 88 | 123.5 Ų | 123.5 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | | 66.1 | 128.8 | 57.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 651 | V | 29.2 | Very low | 30.2 | Very low | 159 Ų | 159 | 126.1 Ų | 126.1 | 96% | 0.964 | 77% | 0.771 | S | S | * | * | | | trans | 71.7 | 138.9 | -178.4 | -166 | 0 | 0 | 0 | 0 | 114.2 | | |
| 652 | G | 28.9 | Very low | 30.3 | Very low | 66 Ų | 66 | 121.5 Ų | 121.5 | 68% | 0.68 | 76% | 0.764 | S | S | * | * | | | cis | -177.7 | 160.3 | -6.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 653 | Q | 39.3 | Very low | 30.5 | Very low | 182 Ų | 182 | 124.9 Ų | 124.9 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | | | trans | -66.8 | 156.7 | 175.8 | -72.1 | -79.5 | -30.1 | 0 | 0 | 111.9 | | |
| 654 | P | 40.4 | Very low | 30.7 | Very low | 118 Ų | 118 | 122.1 Ų | 122.1 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | | | | -160.4 | 158.2 | 91.4 | 42.4 | -22.5 | 0 | 0 | 0 | 120.2 | | |
| 655 | S | 28.9 | Very low | 31 | Very low | 102 Ų | 102 | 120.5 Ų | 120.5 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | | | trans | 86.2 | 151.1 | 138.7 | -146.5 | 0 | 0 | 0 | 0 | 123.4 | | |
| 656 | A | 27.8 | Very low | 30.9 | Very low | 58 Ų | 58 | 124.1 Ų | 124.1 | 48% | 0.479 | 76% | 0.757 | S | S | . | * | | | trans | 70.2 | 120.9 | 154.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | T658 | A656-T658 PolarHBondContact O-N 3.08Å; A656-T658 VanDerWaalsContact O-N 3.1Å |
| 657 | F | 39 | Very low | 31 | Very low | 209 Ų | 209 | 123.1 Ų | 123.1 | 92% | 0.917 | 76% | 0.755 | S | S | * | * | S | Bend | | -64.4 | 92.7 | 128.1 | -176.2 | -87.5 | 0 | 0 | 0 | 105.9 | | |
| 658 | T | 47.5 | Very low | 31 | Very low | 115 Ų | 115 | 123.7 Ų | 123.7 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 16 | 109.4 | 179.5 | 52.4 | 0 | 0 | 0 | 0 | 115.9 | A656 | A656-T658 PolarHBondContact O-N 3.08Å; A656-T658 VanDerWaalsContact O-N 3.1Å |
| 659 | Q | 32 | Very low | 31.1 | Very low | 162 Ų | 162 | 124.8 Ų | 124.8 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | | | cis | -172.2 | 178 | 26.2 | -163.4 | -177.8 | -9.2 | 0 | 0 | 109 | | |
| 660 | V | 27.4 | Very low | 31.1 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 67% | 0.667 | 75% | 0.746 | S | S | * | * | | | trans | 74.4 | 111.7 | 158.2 | -175 | 0 | 0 | 0 | 0 | 119.8 | | |
| 661 | L | 25.6 | Very low | 31.4 | Very low | 160 Ų | 160 | 128.2 Ų | 128.2 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | | | trans | 62.9 | 153.4 | 134.7 | -152.5 | 70.7 | 0 | 0 | 0 | 123.4 | | |
| 662 | A | 29.4 | Very low | 31.5 | Very low | 83 Ų | 83 | 126.3 Ų | 126.3 | 69% | 0.686 | 74% | 0.741 | S | S | * | * | | | trans | 67 | 149.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 663 | Q | 26 | Very low | 31.2 | Very low | 169 Ų | 169 | 127.4 Ų | 127.4 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | | | cis | 71.5 | 99.3 | 31 | -74.7 | -151.6 | 5.3 | 0 | 0 | 117.5 | | |
| 664 | V | 31.2 | Very low | 30.5 | Very low | 141 Ų | 141 | 123.4 Ų | 123.4 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | | | trans | -150.8 | 122.7 | 139.6 | 147.1 | 0 | 0 | 0 | 0 | 104.9 | | |
| 665 | S | 31.7 | Very low | 30.5 | Very low | 80 Ų | 80 | 123.1 Ų | 123.1 | 56% | 0.559 | 74% | 0.74 | S | S | * | * | | | cis | 76.1 | 74.1 | 8 | -46.8 | 0 | 0 | 0 | 0 | 117.3 | | |
| 666 | K | 30.9 | Very low | 30.4 | Very low | 201 Ų | 201 | 125.4 Ų | 125.4 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | | | trans | 177.8 | 154.6 | 141.8 | -94.9 | 149.2 | -172.8 | 176.6 | 0 | 109.4 | | |
| 667 | A | 25.9 | Very low | 30.6 | Very low | 85 Ų | 85 | 128.3 Ų | 128.3 | 70% | 0.702 | 75% | 0.754 | S | S | * | * | | | cis | -115.5 | 152.3 | -1.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 668 | T | 28 | Very low | 30 | Very low | 115 Ų | 115 | 121.3 Ų | 121.3 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | | | | 55.1 | 134.1 | 68.1 | 5.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 669 | T | 28 | Very low | 29.8 | Very low | 130 Ų | 130 | 121.2 Ų | 121.2 | 80% | 0.798 | 74% | 0.742 | S | S | * | * | | | cis | -146.1 | 176.9 | 15.1 | -45.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 670 | S | 28.6 | Very low | 29.6 | Very low | 90 Ų | 90 | 119.2 Ų | 119.2 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | | | trans | -100.6 | 147.9 | -167.6 | 56.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 671 | I | 32.8 | Very low | 29.9 | Very low | 157 Ų | 157 | 120.4 Ų | 120.4 | 81% | 0.805 | 74% | 0.743 | S | S | * | * | | | | 53.4 | 119.9 | 129.3 | -61.7 | 173.3 | 0 | 0 | 0 | 117 | | |
| 672 | P | 31.6 | Very low | 30.1 | Very low | 120 Ų | 120 | 122.2 Ų | 122.2 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | | | | -149.3 | 157.9 | 80.9 | 40.3 | -22.5 | 0 | 0 | 0 | 119.9 | | |
| 673 | A | 22.7 | Very low | 30.1 | Very low | 89 Ų | 89 | 122 Ų | 122 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | | | trans | 52.9 | 116.9 | 142.2 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 674 | A | 25.3 | Very low | 30.5 | Very low | 97 Ų | 97 | 121.7 Ų | 121.7 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | | | trans | 64.8 | -170.6 | 141 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 675 | P | 39.3 | Very low | 31 | Very low | 113 Ų | 113 | 120.7 Ų | 120.7 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | | | cis | -132.2 | -173.3 | -9.8 | 39.8 | -20.8 | 0 | 0 | 0 | 115.7 | | |
| 676 | I | 27.5 | Very low | 30.9 | Very low | 150 Ų | 150 | 120.5 Ų | 120.5 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | | | trans | -38.4 | 154.7 | 152.5 | 47 | 169.9 | 0 | 0 | 0 | 113.2 | | |
| 677 | T | 31.8 | Very low | 30.9 | Very low | 119 Ų | 119 | 118.8 Ų | 118.8 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | | | | -176.6 | 159.3 | 68.3 | -37.6 | 0 | 0 | 0 | 0 | 105.3 | | |
| 678 | G | 26.5 | Very low | 31.1 | Very low | 62 Ų | 62 | 122 Ų | 122 | 64% | 0.639 | 76% | 0.756 | S | S | * | * | | | cis | 65.7 | 146.8 | 47.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 679 | P | 44.3 | Very low | 31.2 | Very low | 112 Ų | 112 | 121.1 Ų | 121.1 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | cis | -128.6 | -144.6 | -28.4 | 27.5 | -2.8 | 0 | 0 | 0 | 110.7 | | |
| 680 | T | 28.1 | Very low | 31.2 | Very low | 120 Ų | 120 | 121.3 Ų | 121.3 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | | | trans | 33.3 | 146.6 | 141.8 | 49.5 | 0 | 0 | 0 | 0 | 121.8 | | |
| 681 | L | 32 | Very low | 31.2 | Very low | 136 Ų | 136 | 122.6 Ų | 122.6 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | | | cis | 173.2 | 136.7 | 8 | 163.6 | 88.4 | 0 | 0 | 0 | 107.9 | | |
| 682 | F | 30.5 | Very low | 30.9 | Very low | 197 Ų | 197 | 120 Ų | 120 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | | | trans | 59.6 | 135.8 | 163.4 | -80.9 | -131.1 | 0 | 0 | 0 | 120.1 | | |
| 683 | G | 30.4 | Very low | 30.8 | Very low | 79 Ų | 79 | 118.6 Ų | 118.6 | 81% | 0.814 | 76% | 0.759 | S | S | * | * | | | trans | 173.3 | 87.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 684 | L | 32.8 | Very low | 31.9 | Very low | 163 Ų | 163 | 120.3 Ų | 120.3 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | | | trans | -75.4 | 161.6 | 176.6 | -77.5 | 170.9 | 0 | 0 | 0 | 111 | | |
| 685 | P | 42.2 | Very low | 31.9 | Very low | 119 Ų | 119 | 121.1 Ų | 121.1 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | cis | -150 | 179.3 | 38.4 | 43.4 | -22.7 | 0 | 0 | 0 | 120.2 | | |
| 686 | A | 30.5 | Very low | 31.6 | Very low | 77 Ų | 77 | 122.2 Ų | 122.2 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | | | trans | 76.6 | 99.8 | 147.6 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 687 | L | 30.8 | Very low | 31.6 | Very low | 165 Ų | 165 | 121 Ų | 121 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | | | trans | 60.5 | 148.1 | 134.7 | -52.9 | 171.1 | 0 | 0 | 0 | 118.9 | | |
| 688 | I | 30.2 | Very low | 31.4 | Very low | 152 Ų | 152 | 121.3 Ų | 121.3 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | | | cis | -146.5 | 168.1 | 19.6 | -13.9 | -179.9 | 0 | 0 | 0 | 111.7 | | |
| 689 | S | 29.7 | Very low | 31.4 | Very low | 97 Ų | 97 | 123.8 Ų | 123.8 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | | | trans | 80.9 | 93.6 | 155.3 | -56.6 | 0 | 0 | 0 | 0 | 121.6 | | |
| 690 | T | 28.4 | Very low | 30.5 | Very low | 133 Ų | 133 | 124.4 Ų | 124.4 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | | | trans | 44.8 | 115.1 | 133.8 | 57.3 | 0 | 0 | 0 | 0 | 120.8 | | |
| 691 | S | 28 | Very low | 30.3 | Very low | 118 Ų | 118 | 123.2 Ų | 123.2 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | cis | 88.2 | 137.7 | 50 | -178.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 692 | S | 27.2 | Very low | 30.3 | Very low | 101 Ų | 101 | 122.7 Ų | 122.7 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | | | cis | -173.5 | 134.1 | -20.3 | -175.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 693 | A | 28.7 | Very low | 30.5 | Very low | 91 Ų | 91 | 118.1 Ų | 118.1 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | | | trans | 55.8 | -165.1 | 151.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 694 | P | 45 | Very low | 30.3 | Very low | 125 Ų | 125 | 122.6 Ų | 122.6 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | cis | -121.7 | -172.4 | 3.9 | 43.6 | -28.5 | 0 | 0 | 0 | 115.9 | | |
| 695 | S | 26.8 | Very low | 30.1 | Very low | 115 Ų | 115 | 119 Ų | 119 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | -131 | 139.4 | 172.8 | -74.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 696 | V | 33.2 | Very low | 29.6 | Very low | 136 Ų | 136 | 118.9 Ų | 118.9 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | | | trans | 22.5 | 122.8 | 151 | -167.4 | 0 | 0 | 0 | 0 | 120.2 | | |
| 697 | S | 27.1 | Very low | 29.3 | Very low | 124 Ų | 124 | 121.4 Ų | 121.4 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | | | trans | -163.7 | 179.8 | 142.8 | -85.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 698 | T | 27.4 | Very low | 29.1 | Very low | 125 Ų | 125 | 119.3 Ų | 119.3 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | | | trans | -114.5 | 179.8 | -155.9 | 56.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 699 | T | 26.1 | Very low | 28.9 | Very low | 114 Ų | 114 | 117.2 Ų | 117.2 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | | | trans | 97.5 | 110.5 | 145.2 | -0.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 700 | T | 25.6 | Very low | 28.8 | Very low | 125 Ų | 125 | 117.9 Ų | 117.9 | 77% | 0.767 | 78% | 0.784 | S | S | * | * | | | trans | 56.8 | 119.2 | 142.2 | 47.6 | 0 | 0 | 0 | 0 | 124 | | |
| 701 | A | 23.9 | Very low | 28.7 | Very low | 95 Ų | 95 | 119.8 Ų | 119.8 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | 68.6 | 170.2 | 151.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 702 | P | 32.3 | Very low | 28.8 | Very low | 125 Ų | 125 | 119.7 Ų | 119.7 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | cis | -113.8 | -92.6 | -11.9 | 16.6 | 7.7 | 0 | 0 | 0 | 116.9 | | |
| 703 | P | 34.9 | Very low | 28.8 | Very low | 102 Ų | 102 | 122.3 Ų | 122.3 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | | | trans | -131.8 | -178.6 | -140 | 42.4 | -22.9 | 0 | 0 | 0 | 117.9 | | |
| 704 | L | 25.7 | Very low | 28.7 | Very low | 173 Ų | 173 | 123 Ų | 123 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | | | trans | 72.5 | 166.2 | 160.9 | -81.1 | 149 | 0 | 0 | 0 | 118.6 | | |
| 705 | A | 28 | Very low | 27.9 | Very low | 88 Ų | 88 | 123 Ų | 123 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -88.7 | 172.8 | -166.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 706 | P | 31.9 | Very low | 28.2 | Very low | 116 Ų | 116 | 123.2 Ų | 123.2 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | | -149.3 | 175.4 | 54.3 | 42.6 | -21.7 | 0 | 0 | 0 | 119 | | |
| 707 | T | 25.4 | Very low | 28.2 | Very low | 129 Ų | 129 | 123.5 Ų | 123.5 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | trans | -7.3 | 126.2 | 160.7 | 55.1 | 0 | 0 | 0 | 0 | 121.5 | | |
| 708 | S | 25.1 | Very low | 28.8 | Very low | 122 Ų | 122 | 124.1 Ų | 124.1 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | | | trans | -163.4 | 148.1 | 139.9 | -87.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 709 | S | 26.3 | Very low | 29.1 | Very low | 108 Ų | 108 | 125.1 Ų | 125.1 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | cis | -162.6 | 145.3 | -8.7 | 49.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 710 | S | 27.6 | Very low | 29.3 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | -168.4 | 93.1 | 157.5 | -139.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 711 | Q | 26.1 | Very low | 29.4 | Very low | 173 Ų | 173 | 128.2 Ų | 128.2 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | | | trans | -151.7 | 104.7 | 158.1 | -91.5 | -58.6 | -20.1 | 0 | 0 | 108.5 | | |
| 712 | P | 30.5 | Very low | 29.7 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | | | trans | -95.5 | 125.3 | 173.2 | 33.7 | -28.2 | 0 | 0 | 0 | 111.3 | | |
| 713 | I | 26.6 | Very low | 29.5 | Very low | 156 Ų | 156 | 129 Ų | 129 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | | | trans | -128.8 | 137.1 | 171.6 | -56 | -179 | 0 | 0 | 0 | 109.1 | | |
| 714 | S | 26.7 | Very low | 29.3 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | | | trans | -72.7 | 167.1 | -174.9 | -45.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 715 | T | 29.3 | Very low | 29.6 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | cis | -111.9 | -103.1 | 8.6 | 40.9 | 0 | 0 | 0 | 0 | 115 | | |
| 716 | T | 31.8 | Very low | 29.6 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | | | cis | -155.3 | 149.3 | 1.6 | -53.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 717 | N | 34.6 | Very low | 29.5 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | | | trans | -98.7 | 163.8 | 178.8 | -62 | -51.2 | 0 | 0 | 0 | 112.2 | | |
| 718 | P | 39.2 | Very low | 30.1 | Very low | 137 Ų | 137 | 134 Ų | 134 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | | | | -123.1 | 175.9 | 98.3 | 36.8 | -33.6 | 0 | 0 | 0 | 114.2 | | |
| 719 | L | 33.7 | Very low | 30.2 | Very low | 145 Ų | 145 | 129.5 Ų | 129.5 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | | | trans | -129.7 | 137.7 | -155.7 | 173.2 | 74.5 | 0 | 0 | 0 | 112.8 | | |
| 720 | L | 30.3 | Very low | 30.6 | Very low | 168 Ų | 168 | 127.7 Ų | 127.7 | 88% | 0.88 | 73% | 0.734 | S | S | * | * | | | trans | -148.3 | 114.9 | 151.6 | -82.6 | -172.8 | 0 | 0 | 0 | 112.8 | | |
| 721 | T | 28.3 | Very low | 30.8 | Very low | 136 Ų | 136 | 126.1 Ų | 126.1 | 83% | 0.834 | 73% | 0.728 | S | S | * | * | | | trans | -168.8 | 119 | 139.3 | 22.4 | 0 | 0 | 0 | 0 | 108 | | |
| 722 | A | 30.1 | Very low | 31 | Very low | 99 Ų | 99 | 123.9 Ų | 123.9 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | | | trans | -153.1 | 88.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 723 | V | 27.7 | Very low | 30.9 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 84% | 0.842 | 72% | 0.722 | S | S | * | * | | | trans | -138.7 | 101.1 | 165.8 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 724 | F | 31.1 | Very low | 30.9 | Very low | 169 Ų | 169 | 122 Ų | 122 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | | | | 21.5 | 135.1 | 126.1 | -89.8 | -139.4 | 0 | 0 | 0 | 118.1 | | |
| 725 | K | 30.7 | Very low | 30.9 | Very low | 152 Ų | 152 | 122.7 Ų | 122.7 | 66% | 0.661 | 73% | 0.725 | S | S | * | * | | | cis | -143.7 | 167.6 | 6.1 | -53.3 | -180 | 176.1 | 176.3 | 0 | 108.1 | I727 | K725-I727 HydrophobicContact CB-CG1 4.48Å; K725-I727 HydrophobicContact CD-CD1 3.8Å; K725-I727 HydrophobicContact CD-CG1 4.1Å; K725-I727 HydrophobicContact CG-CD1 4.47Å; K725-I727 HydrophobicContact CG-CG1 4.41Å |
| 726 | P | 28.8 | Very low | 30.9 | Very low | 123 Ų | 123 | 122.1 Ų | 122.1 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | | | | -113.1 | 153.6 | 71.9 | -8 | 28.2 | 0 | 0 | 0 | 113.8 | | |
| 727 | I | 29.1 | Very low | 30.7 | Very low | 95 Ų | 95 | 121.8 Ų | 121.8 | 49% | 0.487 | 73% | 0.728 | S | S | . | * | | | trans | -101.8 | 154 | 171.8 | -71.5 | 174.8 | 0 | 0 | 0 | 108.5 | K725 F977 | K725-I727 HydrophobicContact CB-CG1 4.48Å; K725-I727 HydrophobicContact CD-CD1 3.8Å; K725-I727 HydrophobicContact CD-CG1 4.1Å; K725-I727 HydrophobicContact CG-CD1 4.47Å; K725-I727 HydrophobicContact CG-CG1 4.41Å; I727-F977 WeakPolarHBondContact O-CE2 3.17Å; I727-F977 WeakPolarHBondContact O-CZ 3.21Å |
| 728 | F | 37.9 | Very low | 30.5 | Very low | 173 Ų | 173 | 119.5 Ų | 119.5 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | | | trans | -96.1 | 164.5 | -175.9 | -71.4 | -104.9 | 0 | 0 | 0 | 113.7 | F977 | F728-F977 VanDerWaalsContact C-CD2 3.41Š|
| 729 | A | 28.6 | Very low | 30.1 | Very low | 27 Ų | 27 | 117.7 Ų | 117.7 | 22% | 0.223 | 73% | 0.726 | C | S | . | * | | | | -130.1 | 152 | 112.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | P976 F977 T978 | A729-P976 WeakPolarHBondContact CB-O 3.08Å; A729-F977 HydrophobicContact CB-CB 3.89Å; A729-F977 HydrophobicContact CB-CD2 4.48Å; A729-F977 WeakPolarHBondContact O-CB 3.13Å; A729-T978 PolarHBondContact O-OG1 3.24Å |
| 730 | A | 33.6 | Very low | 29.8 | Very low | 71 Ų | 71 | 114.2 Ų | 114.2 | 59% | 0.587 | 71% | 0.714 | S | S | * | * | | | cis | 75.1 | 146.2 | 26.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 731 | A | 31.1 | Very low | 29.7 | Very low | 78 Ų | 78 | 112.1 Ų | 112.1 | 65% | 0.645 | 71% | 0.713 | S | S | * | * | | | cis | -135 | -170.9 | 3.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 732 | T | 30.7 | Very low | 29.6 | Very low | 126 Ų | 126 | 112.1 Ų | 112.1 | 77% | 0.773 | 70% | 0.704 | S | S | * | * | | | | -149.5 | 137.7 | 51.9 | 33.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 733 | T | 29 | Very low | 29.5 | Very low | 109 Ų | 109 | 114.3 Ų | 114.3 | 67% | 0.669 | 71% | 0.707 | S | S | * | * | | | trans | 26.5 | 116.6 | 143.9 | 58.7 | 0 | 0 | 0 | 0 | 119.8 | | |
| 734 | T | 27 | Very low | 29.4 | Very low | 123 Ų | 123 | 116.2 Ų | 116.2 | 76% | 0.755 | 70% | 0.704 | S | S | * | * | | | | 68.4 | 131.2 | 57.5 | 71 | 0 | 0 | 0 | 0 | 117.4 | | |
| 735 | S | 26.8 | Very low | 29.8 | Very low | 119 Ų | 119 | 113 Ų | 113 | 83% | 0.832 | 70% | 0.701 | S | S | * | * | | | trans | 82.3 | 152.7 | 157.8 | 87.9 | 0 | 0 | 0 | 0 | 117 | | |
| 736 | S | 28.2 | Very low | 29.7 | Very low | 114 Ų | 114 | 112.8 Ų | 112.8 | 80% | 0.797 | 71% | 0.706 | S | S | * | * | | | cis | -145.2 | -162.2 | 2.1 | 67.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 737 | S | 28 | Very low | 30.4 | Very low | 111 Ų | 111 | 111.7 Ų | 111.7 | 78% | 0.776 | 70% | 0.699 | S | S | * | * | | | trans | -89.6 | 173.9 | -171.4 | 53.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 738 | A | 30.8 | Very low | 30.4 | Very low | 95 Ų | 95 | 115.8 Ų | 115.8 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | | | trans | -39.8 | 161.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 739 | A | 29.8 | Very low | 30 | Very low | 100 Ų | 100 | 113.2 Ų | 113.2 | 83% | 0.826 | 71% | 0.71 | S | S | * | * | | | cis | -159.1 | -172.2 | 38.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 740 | S | 27.7 | Very low | 30 | Very low | 71 Ų | 71 | 119.5 Ų | 119.5 | 50% | 0.497 | 73% | 0.732 | S | S | . | * | | | trans | -81.2 | 153.9 | 176.4 | 46.9 | 0 | 0 | 0 | 0 | 113.9 | N1015 | S740-N1015 PolarHBondContact OG-O 3.42Š|
| 741 | S | 28.8 | Very low | 30.2 | Very low | 125 Ų | 125 | 124.4 Ų | 124.4 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | | | trans | -165.4 | 164.8 | 145.1 | -85 | 0 | 0 | 0 | 0 | 112.3 | | |
| 742 | E | 26.9 | Very low | 30.4 | Very low | 135 Ų | 135 | 125.6 Ų | 125.6 | 63% | 0.631 | 74% | 0.741 | S | S | * | * | | | trans | -119.3 | 141.3 | -164.9 | 164.5 | -169.2 | 173.3 | 0 | 0 | 111 | N1015 | E742-N1015 PolarHBondContact OE2-ND2 3.25Š|
| 743 | T | 27.7 | Very low | 30.5 | Very low | 146 Ų | 146 | 127.1 Ų | 127.1 | 90% | 0.896 | 74% | 0.743 | S | S | * | * | | | trans | -165 | 151.9 | 142.8 | 1.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 744 | K | 24.9 | Very low | 30.7 | Very low | 179 Ų | 179 | 130.1 Ų | 130.1 | 78% | 0.778 | 75% | 0.747 | S | S | * | * | | | trans | -100.5 | -179.6 | 169.9 | -139.4 | -174.7 | 170.8 | -176.9 | 0 | 106.9 | | |
| 745 | P | 39.2 | Very low | 31 | Very low | 102 Ų | 102 | 130.1 Ų | 130.1 | 66% | 0.662 | 75% | 0.749 | S | S | * | * | | | cis | -151.4 | 178.2 | 5.6 | 44.9 | -24.3 | 0 | 0 | 0 | 120.6 | | |
| 746 | L | 29.1 | Very low | 31.3 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | | | trans | 81.2 | 168.5 | 141 | -112.5 | 71.3 | 0 | 0 | 0 | 119.9 | | |
| 747 | P | 43.7 | Very low | 31.9 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 65% | 0.649 | 74% | 0.74 | S | S | * | * | | | | -138.1 | 177.9 | -103.3 | 47.2 | -30.8 | 0 | 0 | 0 | 117.4 | | |
| 748 | Q | 29.9 | Very low | 32.8 | Very low | 181 Ų | 181 | 131.5 Ų | 131.5 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | | | | -177.7 | 124.1 | 129.9 | -96.7 | 167 | 37.5 | 0 | 0 | 108.9 | | |
| 749 | N | 27.7 | Very low | 32.5 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 63% | 0.631 | 73% | 0.732 | S | S | * | * | | | | 70.9 | 125.8 | 87.6 | -140.7 | 9.5 | 0 | 0 | 0 | 112.4 | | |
| 750 | F | 30.2 | Very low | 32.3 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 70% | 0.702 | 73% | 0.734 | S | S | * | * | | | cis | -143.2 | 146.9 | 31.2 | -95.7 | -91.9 | 0 | 0 | 0 | 115.2 | | |
| 751 | K | 36 | Very low | 32.1 | Very low | 174 Ų | 174 | 136.9 Ų | 136.9 | 76% | 0.757 | 75% | 0.747 | S | S | * | * | | | trans | 37.6 | 152.9 | 140 | -74.8 | -174.1 | -178.6 | -177.7 | 0 | 123.2 | | |
| 752 | P | 36.6 | Very low | 32 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 66% | 0.662 | 74% | 0.741 | S | S | * | * | | | cis | -144.5 | -166.9 | -31.9 | 39.9 | -19.9 | 0 | 0 | 0 | 114.7 | | |
| 753 | I | 31.7 | Very low | 32 | Very low | 158 Ų | 158 | 135 Ų | 135 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | | | trans | 81.8 | 66 | 163.8 | -55.2 | 158.3 | 0 | 0 | 0 | 115.7 | | |
| 754 | F | 33.3 | Very low | 32.1 | Very low | 172 Ų | 172 | 129.7 Ų | 129.7 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | | | trans | -66.9 | 173.9 | 143.3 | -94.5 | -104.9 | 0 | 0 | 0 | 110.6 | | |
| 755 | P | 34.3 | Very low | 32.5 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 80% | 0.799 | 72% | 0.717 | S | S | * | * | | | cis | -141.9 | 163.9 | 27.9 | 43.2 | -23.8 | 0 | 0 | 0 | 120.6 | | |
| 756 | Q | 32.8 | Very low | 32.3 | Very low | 157 Ų | 157 | 126.3 Ų | 126.3 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | | | trans | -82.8 | -168.1 | 160.7 | -120.6 | -177.6 | -38.7 | 0 | 0 | 109.8 | | |
| 757 | P | 40.8 | Very low | 32.3 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 71% | 0.708 | 72% | 0.719 | S | S | * | * | | | cis | -126.5 | -104.2 | -7.9 | 22.3 | 5.7 | 0 | 0 | 0 | 115.7 | | |
| 758 | P | 46.2 | Very low | 31.7 | Very low | 108 Ų | 108 | 126.3 Ų | 126.3 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | | | trans | -133.7 | -170.3 | -136.2 | 42.6 | -21 | 0 | 0 | 0 | 117.1 | | |
| 759 | S | 24.8 | Very low | 31.7 | Very low | 97 Ų | 97 | 125 Ų | 125 | 68% | 0.678 | 73% | 0.726 | S | S | * | * | | | trans | 116.8 | 154.7 | 142.7 | 81.2 | 0 | 0 | 0 | 0 | 120.6 | | |
| 760 | I | 26.3 | Very low | 31.6 | Very low | 169 Ų | 169 | 124.5 Ų | 124.5 | 87% | 0.867 | 73% | 0.733 | S | S | * | * | | | trans | 57.6 | -176.8 | 160.4 | 67.9 | 174.6 | 0 | 0 | 0 | 120.7 | | |
| 761 | S | 23.1 | Very low | 31.3 | Very low | 112 Ų | 112 | 121.5 Ų | 121.5 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | | | trans | -112.8 | 145.4 | -154 | -55.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 762 | A | 27.3 | Very low | 32 | Very low | 91 Ų | 91 | 118.6 Ų | 118.6 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | | | trans | 58.3 | 138.8 | 145.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 763 | T | 26.5 | Very low | 32.2 | Very low | 131 Ų | 131 | 120.2 Ų | 120.2 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | | | trans | 161.3 | 161.3 | 131.2 | -67.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 764 | S | 29.7 | Very low | 32.6 | Very low | 34 Ų | 34 | 120.8 Ų | 120.8 | 24% | 0.238 | 74% | 0.744 | C | S | . | * | | | trans | -141.3 | 138.3 | -175.4 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | T781 S782 | S764-T781 WeakPolarHBondContact CB-OG1 3.35Å; S764-T781 PolarHBondContact OG-OG1 3.14Å; S764-S782 PolarHBondContact OG-N 2.92Å |
| 765 | T | 33.4 | Very low | 32.3 | Very low | 124 Ų | 124 | 117.2 Ų | 117.2 | 76% | 0.761 | 74% | 0.74 | S | S | * | * | | | trans | 178.9 | 136.1 | 146.1 | 32.8 | 0 | 0 | 0 | 0 | 116.3 | | |
| 766 | A | 34 | Very low | 32.6 | Very low | 86 Ų | 86 | 117 Ų | 117 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | | | trans | 64.3 | 117.1 | 131.4 | 0 | 0 | 0 | 0 | 0 | 125.8 | | |
| 767 | S | 30.4 | Very low | 32.7 | Very low | 109 Ų | 109 | 119.4 Ų | 119.4 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | | | | 69.5 | 114.3 | 124.2 | -57.4 | 0 | 0 | 0 | 0 | 124.4 | | |
| 768 | T | 31.1 | Very low | 32.3 | Very low | 137 Ų | 137 | 117.4 Ų | 117.4 | 84% | 0.84 | 74% | 0.744 | S | S | * | * | | | | -172.3 | 156.3 | 111.2 | 17.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 769 | L | 30.1 | Very low | 31.7 | Very low | 153 Ų | 153 | 119.3 Ų | 119.3 | 80% | 0.801 | 75% | 0.754 | S | S | * | * | | | trans | 51.4 | 104 | 155.5 | -71.4 | 162.9 | 0 | 0 | 0 | 121.9 | | |
| 770 | S | 25.4 | Very low | 32.5 | Very low | 109 Ų | 109 | 120.4 Ų | 120.4 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | | | trans | 43.5 | 115.1 | 130 | -55.2 | 0 | 0 | 0 | 0 | 122.3 | | |
| 771 | A | 23.9 | Very low | 33.4 | Very low | 97 Ų | 97 | 116.7 Ų | 116.7 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | | | trans | 68.3 | 158.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 772 | T | 51.3 | Low | 34.5 | Very low | 113 Ų | 113 | 116.6 Ų | 116.6 | 69% | 0.693 | 74% | 0.741 | S | S | * | * | | | cis | -118.9 | 112.5 | 11.3 | -53.7 | 0 | 0 | 0 | 0 | 110.7 | M774 | T772-M774 VanDerWaalsContact O-CB 3.32Å; T772-M774 WeakPolarHBondContact O-CB 3.28Å; T772-M774 WeakPolarHBondContact O-CG 3.38Å; T772-M774 PolarHBondContact O-N 2.7Å; T772-M774 VanDerWaalsContact O-N 3.12Å |
| 773 | T | 40.3 | Very low | 34.7 | Very low | 136 Ų | 136 | 117.5 Ų | 117.5 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | | | trans | -4.7 | 88.9 | 176.9 | 52.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 774 | M | 39.6 | Very low | 34.9 | Very low | 169 Ų | 169 | 116.2 Ų | 116.2 | 83% | 0.833 | 74% | 0.738 | S | S | * | * | | | trans | -151.8 | 146.7 | -172 | -85.8 | -67.1 | 164.3 | 0 | 0 | 115.9 | T772 | T772-M774 VanDerWaalsContact O-CB 3.32Å; T772-M774 WeakPolarHBondContact O-CB 3.28Å; T772-M774 WeakPolarHBondContact O-CG 3.38Å; T772-M774 PolarHBondContact O-N 2.7Å; T772-M774 VanDerWaalsContact O-N 3.12Å |
| 775 | S | 27.8 | Very low | 34.7 | Very low | 97 Ų | 97 | 120 Ų | 120 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | | | | 44.2 | 121.8 | 129.7 | -132.8 | 0 | 0 | 0 | 0 | 125.1 | | |
| 776 | V | 39.9 | Very low | 34.5 | Very low | 120 Ų | 120 | 119 Ų | 119 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | | 69.6 | 139.6 | 124.4 | 170.2 | 0 | 0 | 0 | 0 | 123.9 | | |
| 777 | F | 35.5 | Very low | 34.2 | Very low | 206 Ų | 206 | 124.3 Ų | 124.3 | 90% | 0.904 | 77% | 0.77 | S | S | * | * | | | trans | 70.7 | 128.9 | 162.2 | -94.2 | -64.4 | 0 | 0 | 0 | 123.4 | | |
| 778 | G | 31.5 | Very low | 34 | Very low | 67 Ų | 67 | 123.5 Ų | 123.5 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | | | | 98 | 109.4 | 125.5 | 0 | 0 | 0 | 0 | 0 | 126.9 | | |
| 779 | V | 33.8 | Very low | 33.7 | Very low | 149 Ų | 149 | 120.8 Ų | 120.8 | 90% | 0.903 | 76% | 0.764 | S | S | * | * | | | trans | 69.1 | 179.6 | 136.8 | -170 | 0 | 0 | 0 | 0 | 121 | | |
| 780 | T | 41.8 | Very low | 33.6 | Very low | 119 Ų | 119 | 122.3 Ų | 122.3 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | | | trans | -148.7 | 147.7 | -143.2 | -36.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 781 | T | 44.9 | Very low | 33.8 | Very low | 91 Ų | 91 | 123.7 Ų | 123.7 | 56% | 0.558 | 76% | 0.763 | S | S | * | * | | | trans | 170.1 | -170.4 | 138.1 | 32.8 | 0 | 0 | 0 | 0 | 115.6 | S764 | S764-T781 WeakPolarHBondContact CB-OG1 3.35Å; S764-T781 PolarHBondContact OG-OG1 3.14Å |
| 782 | S | 45.3 | Very low | 34 | Very low | 111 Ų | 111 | 126.1 Ų | 126.1 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | -142.3 | 160.9 | -152.2 | -40.5 | 0 | 0 | 0 | 0 | 117.9 | S764 | S764-S782 PolarHBondContact OG-N 2.92Š|
| 783 | S | 33 | Very low | 33 | Very low | 110 Ų | 110 | 124.3 Ų | 124.3 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | trans | -153.9 | -167.7 | 167.7 | 67.4 | 0 | 0 | 0 | 0 | 115 | | |
| 784 | S | 29.3 | Very low | 32.4 | Very low | 104 Ų | 104 | 123.4 Ų | 123.4 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | -145.5 | 152.7 | -146.8 | 54.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 785 | S | 27.4 | Very low | 31.8 | Very low | 114 Ų | 114 | 120 Ų | 120 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | | | trans | 68 | 159.7 | 161.1 | 89.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 786 | S | 28.8 | Very low | 31.7 | Very low | 102 Ų | 102 | 118.4 Ų | 118.4 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | | | cis | -138.7 | 178.8 | -4.8 | -66.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 787 | F | 27 | Very low | 31.1 | Very low | 198 Ų | 198 | 120.8 Ų | 120.8 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | | | cis | -161.9 | -173.2 | 39.2 | -151.4 | -98.5 | 0 | 0 | 0 | 111.5 | | |
| 788 | S | 25.7 | Very low | 30.8 | Very low | 92 Ų | 92 | 114.9 Ų | 114.9 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | | | trans | -77 | 153.5 | -167.9 | 61.4 | 0 | 0 | 0 | 0 | 118.2 | | |
| 789 | G | 26.3 | Very low | 30.5 | Very low | 80 Ų | 80 | 117.9 Ų | 117.9 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | | | trans | -164.8 | 86.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 790 | F | 27.8 | Very low | 30.3 | Very low | 184 Ų | 184 | 117 Ų | 117 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | | | trans | -44.1 | 158.5 | -178 | -87.3 | -85.6 | 0 | 0 | 0 | 121.4 | | |
| 791 | N | 28.6 | Very low | 29.6 | Very low | 138 Ų | 138 | 117.1 Ų | 117.1 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | | | trans | 84 | 108.5 | 138.7 | -74.1 | -20.6 | 0 | 0 | 0 | 124.1 | | |
| 792 | N | 28.8 | Very low | 28.9 | Very low | 149 Ų | 149 | 120.5 Ų | 120.5 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | | | | 81.7 | 117.9 | 106.9 | -156.6 | 51.5 | 0 | 0 | 0 | 122.7 | | |
| 793 | A | 29.3 | Very low | 28.8 | Very low | 75 Ų | 75 | 120.5 Ų | 120.5 | 62% | 0.62 | 76% | 0.764 | S | S | * | * | | | trans | 52.8 | 122.6 | 137.5 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 794 | S | 27.6 | Very low | 28.6 | Very low | 116 Ų | 116 | 119.9 Ų | 119.9 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | | | | 75.3 | 139.5 | 117.4 | -169.1 | 0 | 0 | 0 | 0 | 122.8 | | |
| 795 | A | 27.3 | Very low | 28.5 | Very low | 97 Ų | 97 | 121.1 Ų | 121.1 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | | | trans | 76.9 | 165 | 156.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 796 | G | 26.6 | Very low | 28.9 | Very low | 64 Ų | 64 | 123.4 Ų | 123.4 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | | | trans | 91.3 | 109.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 797 | I | 26.6 | Very low | 29.4 | Very low | 171 Ų | 171 | 124.7 Ų | 124.7 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | | | cis | 85.8 | 139.9 | 34.5 | -54.9 | 175.2 | 0 | 0 | 0 | 113.3 | | |
| 798 | A | 28.4 | Very low | 29.4 | Very low | 81 Ų | 81 | 118.5 Ų | 118.5 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | | | trans | 71.2 | 128.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 799 | T | 26.5 | Very low | 29.5 | Very low | 130 Ų | 130 | 120.4 Ų | 120.4 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | | | cis | 91.3 | 90.7 | 20.8 | 75.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 800 | T | 29.1 | Very low | 29.7 | Very low | 132 Ų | 132 | 126.3 Ų | 126.3 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | | | trans | -164.3 | 107.9 | 149.2 | 22.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 801 | T | 27.7 | Very low | 29.9 | Very low | 121 Ų | 121 | 123 Ų | 123 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | | | | 68.2 | 104.5 | 94.4 | 59.1 | 0 | 0 | 0 | 0 | 117.3 | | |
| 802 | L | 29.4 | Very low | 30 | Very low | 161 Ų | 161 | 123.8 Ų | 123.8 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | | | | 21.6 | 161.3 | 118.9 | -64.6 | 163.1 | 0 | 0 | 0 | 120.2 | | |
| 803 | P | 44.3 | Very low | 30.1 | Very low | 112 Ų | 112 | 126.1 Ų | 126.1 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | cis | -145.7 | 169.1 | -38.7 | 41.1 | -24.2 | 0 | 0 | 0 | 115.5 | | |
| 804 | A | 28.2 | Very low | 30.1 | Very low | 96 Ų | 96 | 125.8 Ų | 125.8 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | | | trans | -168.6 | 133.7 | 152.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 805 | T | 26.6 | Very low | 30 | Very low | 131 Ų | 131 | 128.1 Ų | 128.1 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | cis | 96.1 | 93.1 | 28.2 | -44.2 | 0 | 0 | 0 | 0 | 115 | | |
| 806 | L | 36.5 | Very low | 30 | Very low | 162 Ų | 162 | 134.3 Ų | 134.3 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | | | trans | -5.9 | 146.9 | 152.7 | -63.9 | 173.2 | 0 | 0 | 0 | 119.3 | | |
| 807 | P | 38.4 | Very low | 30 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | | -146.1 | -178.9 | 69.6 | 39.7 | -21.2 | 0 | 0 | 0 | 116.1 | | |
| 808 | G | 26.9 | Very low | 30.1 | Very low | 68 Ų | 68 | 133 Ų | 133 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | | | cis | 138.2 | 70 | -14.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 809 | V | 29.6 | Very low | 30.4 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | | | trans | -160.3 | 159.3 | 167.3 | -78.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 810 | K | 28.8 | Very low | 30.8 | Very low | 204 Ų | 204 | 134.5 Ų | 134.5 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | | | cis | -159.7 | 174.6 | -23.8 | -103.5 | 174.3 | -175.3 | 179.9 | 0 | 107.8 | | |
| 811 | S | 32.6 | Very low | 30.8 | Very low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | trans | -143.6 | 149.4 | -169.8 | 178.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 812 | L | 30.1 | Very low | 30.9 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | | | trans | -167.1 | 121.4 | 163.5 | -138.6 | 57.3 | 0 | 0 | 0 | 108.6 | | |
| 813 | F | 32.5 | Very low | 31.1 | Very low | 198 Ų | 198 | 131.8 Ų | 131.8 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | | | | 61.9 | 140.3 | 80.3 | -94.8 | -96.8 | 0 | 0 | 0 | 115.8 | | |
| 814 | G | 29.3 | Very low | 30.3 | Very low | 68 Ų | 68 | 132.6 Ų | 132.6 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | cis | -98.1 | -130.8 | 3.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 815 | N | 25.1 | Very low | 30.6 | Very low | 164 Ų | 164 | 132.8 Ų | 132.8 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | | | cis | -159.9 | -173.8 | 1 | -163.1 | 10.5 | 0 | 0 | 0 | 112.2 | | |
| 816 | W | 27.4 | Very low | 30.7 | Very low | 227 Ų | 227 | 132.4 Ų | 132.4 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -119.4 | 160.4 | -174.2 | -106.8 | -61 | 0 | 0 | 0 | 115.3 | | |
| 817 | S | 26.1 | Very low | 30.3 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | | -157.1 | 169.8 | 67.8 | -69.3 | 0 | 0 | 0 | 0 | 115.5 | | |
| 818 | A | 28.6 | Very low | 29.7 | Very low | 90 Ų | 90 | 130 Ų | 130 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | | | trans | -108.1 | -167.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 819 | P | 35.6 | Very low | 29.8 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | | | cis | -130.7 | -176.4 | 33.6 | 45 | -27.9 | 0 | 0 | 0 | 115.2 | | |
| 820 | P | 33.3 | Very low | 29.8 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | | | | -146.9 | 177.2 | 90.8 | 38.7 | -20.4 | 0 | 0 | 0 | 116.6 | | |
| 821 | T | 29.4 | Very low | 29.8 | Very low | 123 Ų | 123 | 128 Ų | 128 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | | | trans | -85.2 | 126.3 | -173.8 | 40.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 822 | T | 31.2 | Very low | 29.7 | Very low | 122 Ų | 122 | 128.2 Ų | 128.2 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | | 57.6 | 140.8 | 88.1 | 64.1 | 0 | 0 | 0 | 0 | 117 | | |
| 823 | T | 33.1 | Very low | 29.7 | Very low | 112 Ų | 112 | 126.6 Ų | 126.6 | 69% | 0.687 | 79% | 0.79 | S | S | * | * | | | cis | -173.1 | 153.1 | -6.2 | -95.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 824 | T | 28 | Very low | 29.3 | Very low | 129 Ų | 129 | 120.4 Ų | 120.4 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | | | trans | -170.3 | 107.7 | 135.6 | -74.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 825 | S | 33 | Very low | 30.1 | Very low | 101 Ų | 101 | 121.5 Ų | 121.5 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | trans | 43.7 | 148 | 136.6 | -45 | 0 | 0 | 0 | 0 | 122.3 | | |
| 826 | S | 29.5 | Very low | 30.3 | Very low | 123 Ų | 123 | 117.5 Ų | 117.5 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | | | cis | -137.3 | 162.6 | 19.6 | -62 | 0 | 0 | 0 | 0 | 113.5 | | |
| 827 | C | 27.2 | Very low | 30.7 | Very low | 124 Ų | 124 | 113.3 Ų | 113.3 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | | | trans | -121.8 | 177.1 | -167.3 | 60.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 828 | S | 26.7 | Very low | 31.1 | Very low | 116 Ų | 116 | 110.7 Ų | 110.7 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | | | trans | -158.4 | 129.4 | 169.6 | -69.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 829 | S | 28.6 | Very low | 31.3 | Very low | 135 Ų | 135 | 111.8 Ų | 111.8 | 94% | 0.944 | 74% | 0.739 | S | S | * | * | | | trans | -168.7 | 172.4 | 170.3 | -83.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 830 | A | 30.4 | Very low | 31 | Very low | 109 Ų | 109 | 112.7 Ų | 112.7 | 90% | 0.901 | 74% | 0.735 | S | S | * | * | | | trans | -129 | -167.6 | -153.9 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 831 | S | 28.4 | Very low | 30.9 | Very low | 117 Ų | 117 | 115.4 Ų | 115.4 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | | | trans | -140.7 | -167.5 | -166.5 | 63.9 | 0 | 0 | 0 | 0 | 115.8 | | |
| 832 | V | 31.3 | Very low | 30.9 | Very low | 118 Ų | 118 | 116.7 Ų | 116.7 | 72% | 0.715 | 73% | 0.731 | S | S | * | * | | | trans | -152.7 | 160.7 | -156.2 | 143.6 | 0 | 0 | 0 | 0 | 112 | | |
| 833 | Q | 28.9 | Very low | 30.8 | Very low | 123 Ų | 123 | 120.6 Ų | 120.6 | 58% | 0.575 | 74% | 0.739 | S | S | * | * | | | cis | -178.7 | -179.7 | -36.5 | -138.6 | 176.1 | 38.3 | 0 | 0 | 110.8 | T464 | T464-Q833 PolarHBondContact OG1-OE1 3.35Š|
| 834 | L | 25 | Very low | 30.6 | Very low | 67 Ų | 67 | 118.4 Ų | 118.4 | 35% | 0.351 | 74% | 0.738 | S | S | . | * | | | trans | 77.9 | 172.4 | 156.8 | -101.8 | 79.8 | 0 | 0 | 0 | 120.4 | T464 | T464-L834 HydrophobicContact CG2-CD1 3.95Å; T464-L834 WeakPolarHBondContact OG1-CD1 3.32Å |
| 835 | P | 45.5 | Very low | 30.5 | Very low | 91 Ų | 91 | 117.3 Ų | 117.3 | 59% | 0.591 | 74% | 0.742 | S | S | * | * | | | cis | -136.1 | 165.3 | 9.9 | 44.8 | -28.1 | 0 | 0 | 0 | 120.6 | | |
| 836 | S | 30 | Very low | 30.2 | Very low | 81 Ų | 81 | 117 Ų | 117 | 57% | 0.566 | 75% | 0.745 | S | S | * | * | | | trans | 57.8 | -170.5 | 140.7 | 68 | 0 | 0 | 0 | 0 | 118.1 | | |
| 837 | T | 34.3 | Very low | 30.1 | Very low | 139 Ų | 139 | 115.4 Ų | 115.4 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | | | cis | -152.3 | 153.2 | 10.2 | -29 | 0 | 0 | 0 | 0 | 113.1 | | |
| 838 | G | 34.8 | Very low | 30.1 | Very low | 63 Ų | 63 | 115.4 Ų | 115.4 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | | | trans | 157.4 | -176.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 839 | S | 32.6 | Very low | 30.2 | Very low | 113 Ų | 113 | 116.2 Ų | 116.2 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | | | cis | 177.2 | 145.3 | -20.4 | -92.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 840 | M | 30.8 | Very low | 30 | Very low | 136 Ų | 136 | 113.7 Ų | 113.7 | 67% | 0.67 | 72% | 0.724 | S | S | * | * | | | cis | -165 | -175.7 | -14.9 | -150.4 | -149.5 | -61.4 | 0 | 0 | 108.3 | | |
| 841 | F | 29.4 | Very low | 29.8 | Very low | 181 Ų | 181 | 113.4 Ų | 113.4 | 79% | 0.794 | 72% | 0.722 | S | S | * | * | | | trans | 70.6 | 163.9 | 168 | -48.8 | -62.2 | 0 | 0 | 0 | 117.8 | | |
| 842 | Q | 30.3 | Very low | 29.7 | Very low | 150 Ų | 150 | 111.7 Ų | 111.7 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | | | cis | -169.8 | 110.6 | -39.8 | 167.2 | 53.1 | 4.7 | 0 | 0 | 111.3 | | |
| 843 | F | 30 | Very low | 29.4 | Very low | 205 Ų | 205 | 111.8 Ų | 111.8 | 90% | 0.899 | 72% | 0.715 | S | S | * | * | | | trans | -177.4 | 147.2 | 138.7 | -120.9 | -80.7 | 0 | 0 | 0 | 110.3 | | |
| 844 | G | 28.3 | Very low | 29.3 | Very low | 65 Ų | 65 | 112 Ų | 112 | 67% | 0.67 | 73% | 0.726 | S | S | * | * | | | trans | 118.8 | 70.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 845 | A | 26.6 | Very low | 29.2 | Very low | 106 Ų | 106 | 113.4 Ų | 113.4 | 88% | 0.876 | 75% | 0.747 | S | S | * | * | | | trans | 34 | 152.5 | 146.1 | 0 | 0 | 0 | 0 | 0 | 125 | | |
| 846 | A | 26.2 | Very low | 28.2 | Very low | 94 Ų | 94 | 113.2 Ų | 113.2 | 78% | 0.777 | 75% | 0.753 | S | S | * | * | | | trans | 86.9 | 97.9 | 153 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 847 | A | 26.9 | Very low | 27.9 | Very low | 91 Ų | 91 | 115.4 Ų | 115.4 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | | 65.3 | 142 | 123.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 848 | T | 27 | Very low | 27.7 | Very low | 123 Ų | 123 | 113 Ų | 113 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | | | cis | -161.7 | 152.3 | 0 | -2.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 849 | T | 28.2 | Very low | 28.2 | Very low | 133 Ų | 133 | 115.6 Ų | 115.6 | 82% | 0.816 | 77% | 0.767 | S | S | * | * | | | trans | 65.9 | 157.7 | 148.1 | -48.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 850 | A | 25.9 | Very low | 28.1 | Very low | 83 Ų | 83 | 114.5 Ų | 114.5 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | | | | -178.9 | 164.3 | -69 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 851 | A | 25.5 | Very low | 27.9 | Very low | 103 Ų | 103 | 116 Ų | 116 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | | | trans | 65.7 | 159 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 852 | A | 26 | Very low | 27.8 | Very low | 81 Ų | 81 | 112.1 Ų | 112.1 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | | | cis | -167.9 | 171.3 | -27 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 853 | T | 24.7 | Very low | 28 | Very low | 119 Ų | 119 | 114.4 Ų | 114.4 | 73% | 0.73 | 78% | 0.777 | S | S | * | * | | | trans | 55.5 | 110.5 | 143 | 45.5 | 0 | 0 | 0 | 0 | 123.1 | | |
| 854 | T | 26.6 | Very low | 28.7 | Very low | 129 Ų | 129 | 109.6 Ų | 109.6 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | | 55.3 | 131.1 | 122.8 | 64.1 | 0 | 0 | 0 | 0 | 124 | | |
| 855 | A | 24.6 | Very low | 28.9 | Very low | 96 Ų | 96 | 111.2 Ų | 111.2 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | | | trans | 87.8 | 126.8 | 130.3 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 856 | A | 23.6 | Very low | 28.9 | Very low | 87 Ų | 87 | 112.7 Ų | 112.7 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | | | trans | 73.6 | 130.4 | 134.6 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 857 | S | 23.1 | Very low | 29.1 | Very low | 126 Ų | 126 | 117.1 Ų | 117.1 | 88% | 0.881 | 76% | 0.763 | S | S | * | * | | | trans | 71.3 | 150.9 | 148.7 | 36.6 | 0 | 0 | 0 | 0 | 121.5 | | |
| 858 | A | 31.5 | Very low | 29.2 | Very low | 88 Ų | 88 | 117.1 Ų | 117.1 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | -92 | -164.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 859 | P | 45.6 | Very low | 29.3 | Very low | 118 Ų | 118 | 121 Ų | 121 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | | | cis | -149.4 | -175 | 8.3 | 45.5 | -25.2 | 0 | 0 | 0 | 118.9 | | |
| 860 | A | 30.2 | Very low | 29.3 | Very low | 91 Ų | 91 | 118 Ų | 118 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | | | trans | 76.1 | 178.9 | 142.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 861 | I | 25.4 | Very low | 29.4 | Very low | 166 Ų | 166 | 118 Ų | 118 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | | | trans | 83.8 | 127.1 | -174.3 | -55.5 | 174.1 | 0 | 0 | 0 | 113.9 | | |
| 862 | S | 28.7 | Very low | 29.5 | Very low | 100 Ų | 100 | 119.8 Ų | 119.8 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | | | cis | -167.2 | 151.5 | -15.1 | 56.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 863 | K | 32.7 | Very low | 29.6 | Very low | 198 Ų | 198 | 124.7 Ų | 124.7 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | | | trans | 22.5 | 163.2 | 137.8 | -77.6 | -176.6 | 177.6 | 179.1 | 0 | 122.4 | | |
| 864 | P | 45.4 | Very low | 30.1 | Very low | 104 Ų | 104 | 124.3 Ų | 124.3 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | | | cis | -139.2 | 176.5 | 16.3 | 38.7 | -18.9 | 0 | 0 | 0 | 118.7 | | |
| 865 | S | 32.2 | Very low | 29.9 | Very low | 99 Ų | 99 | 125 Ų | 125 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | | | trans | 64 | 144.9 | 152.8 | 42.1 | 0 | 0 | 0 | 0 | 120.2 | | |
| 866 | N | 26.4 | Very low | 30.6 | Very low | 138 Ų | 138 | 125.1 Ų | 125.1 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | | | cis | -152.2 | 150.3 | 6.2 | -110.1 | -6.9 | 0 | 0 | 0 | 113.1 | | |
| 867 | F | 30.3 | Very low | 30.8 | Very low | 187 Ų | 187 | 130 Ų | 130 | 82% | 0.82 | 77% | 0.769 | S | S | * | * | | | trans | 28.2 | 147.1 | 154.7 | -69.3 | -103.2 | 0 | 0 | 0 | 123.6 | | |
| 868 | S | 30.6 | Very low | 30.8 | Very low | 91 Ų | 91 | 128.7 Ų | 128.7 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | | | cis | -171.9 | 172.2 | -23 | -159.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 869 | F | 28.1 | Very low | 30.8 | Very low | 204 Ų | 204 | 130.1 Ų | 130.1 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | | | trans | 74.3 | 153.3 | -176.2 | -66.2 | -90.6 | 0 | 0 | 0 | 116 | | |
| 870 | G | 28.2 | Very low | 29.9 | Very low | 71 Ų | 71 | 133.5 Ų | 133.5 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | | | cis | 146.9 | 150.1 | -9.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 871 | A | 28.6 | Very low | 29.9 | Very low | 83 Ų | 83 | 134.8 Ų | 134.8 | 69% | 0.686 | 77% | 0.771 | S | S | * | * | | | cis | -155.5 | 145.9 | -12.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 872 | T | 28.3 | Very low | 30.1 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | | | trans | 53.5 | 141.8 | 149.9 | 51.2 | 0 | 0 | 0 | 0 | 124.4 | | |
| 873 | Q | 26.2 | Very low | 30.1 | Very low | 184 Ų | 184 | 136.2 Ų | 136.2 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | trans | -41.1 | 170.1 | 152.4 | -92.9 | 174.9 | -99.7 | 0 | 0 | 115.9 | | |
| 874 | P | 35.7 | Very low | 30.1 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | | | cis | -135.3 | -170 | 12.8 | 35 | -12.9 | 0 | 0 | 0 | 116.4 | | |
| 875 | D | 23.1 | Very low | 29.3 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | -47 | 148.8 | 154.4 | -158.7 | 54.5 | 0 | 0 | 0 | 110.8 | | |
| 876 | P | 39.4 | Very low | 29.2 | Very low | 98 Ų | 98 | 137.7 Ų | 137.7 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | | | cis | -154.5 | -176.6 | 48.6 | 46 | -25.2 | 0 | 0 | 0 | 119.8 | | |
| 877 | Q | 26.9 | Very low | 30.3 | Very low | 190 Ų | 190 | 136.7 Ų | 136.7 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | | | trans | 70.5 | 157.8 | 150.4 | -83.7 | -172.1 | 19.5 | 0 | 0 | 120.9 | | |
| 878 | A | 24.3 | Very low | 30 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | | | trans | -97.1 | 151.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 879 | S | 31.4 | Very low | 29.7 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | -139.6 | 123.5 | 143.1 | 56.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 880 | K | 26.7 | Very low | 29.6 | Very low | 189 Ų | 189 | 129.2 Ų | 129.2 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | | | trans | -83.6 | -173.8 | 156.4 | -81 | -174.3 | 173.9 | -179.2 | 0 | 108.5 | | |
| 881 | V | 29.4 | Very low | 29.6 | Very low | 117 Ų | 117 | 135 Ų | 135 | 71% | 0.709 | 79% | 0.785 | S | S | * | * | | | trans | 67.6 | 147.8 | 169.5 | -118.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 882 | F | 29.6 | Very low | 29.5 | Very low | 184 Ų | 184 | 135.7 Ų | 135.7 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | | | cis | -144.2 | 167.6 | 17 | -88.9 | -77.3 | 0 | 0 | 0 | 108.8 | | |
| 883 | S | 29.3 | Very low | 29.5 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | | | cis | -156.1 | -172.3 | -16 | -156.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 884 | F | 31.4 | Very low | 29.8 | Very low | 191 Ų | 191 | 131.5 Ų | 131.5 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | | | trans | -84 | 151.4 | -179.9 | -153.6 | -102.3 | 0 | 0 | 0 | 113.4 | | |
| 885 | G | 28.9 | Very low | 29.5 | Very low | 73 Ų | 73 | 132.3 Ų | 132.3 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | trans | -176.3 | 128.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 886 | Q | 30.6 | Very low | 29.9 | Very low | 169 Ų | 169 | 130.2 Ų | 130.2 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | trans | -128.8 | -175.7 | 170 | -65.4 | -172.7 | -80.8 | 0 | 0 | 108.1 | | |
| 887 | P | 49.8 | Very low | 29.6 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | | | | -122.3 | -149.3 | -59.3 | 37.5 | -21.2 | 0 | 0 | 0 | 110.4 | | |
| 888 | S | 23.4 | Very low | 29.9 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | 78.5 | 150.6 | 169.7 | -136 | 0 | 0 | 0 | 0 | 115.7 | | |
| 889 | S | 25 | Very low | 30.4 | Very low | 98 Ų | 98 | 129.4 Ų | 129.4 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | | | cis | -165.4 | 150 | -19.2 | 32.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 890 | S | 25 | Very low | 30.6 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | | | trans | 18.7 | 111.6 | 149.9 | -49.3 | 0 | 0 | 0 | 0 | 122.9 | | |
| 891 | Q | 29.3 | Very low | 31 | Very low | 191 Ų | 191 | 128 Ų | 128 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | | | trans | -162.2 | 130.6 | 135.4 | -106.4 | 174.2 | -9.7 | 0 | 0 | 108 | | |
| 892 | S | 26.3 | Very low | 31.3 | Very low | 99 Ų | 99 | 125.8 Ų | 125.8 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | | | | 63.2 | 133.4 | 90.2 | -151.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 893 | T | 27.2 | Very low | 31.5 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 68% | 0.681 | 78% | 0.78 | S | S | * | * | | | cis | -160.3 | 142.8 | 31.5 | -35.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 894 | T | 33.6 | Very low | 31.7 | Very low | 123 Ų | 123 | 124.3 Ų | 124.3 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | 45.1 | 123 | 151.4 | 53.4 | 0 | 0 | 0 | 0 | 124.4 | | |
| 895 | T | 29.9 | Very low | 31.7 | Very low | 129 Ų | 129 | 122 Ų | 122 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | | 159.8 | 130.7 | 102.2 | -63.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 896 | A | 30.9 | Very low | 31.8 | Very low | 99 Ų | 99 | 124.3 Ų | 124.3 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | 60.2 | 150.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 897 | S | 31.7 | Very low | 31.7 | Very low | 100 Ų | 100 | 122.4 Ų | 122.4 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | | | cis | -164 | 137.9 | -13.8 | 178.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 898 | F | 33.2 | Very low | 30.7 | Very low | 203 Ų | 203 | 121.6 Ų | 121.6 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | | | trans | 25.3 | 125.6 | 163.4 | -68.6 | -110.9 | 0 | 0 | 0 | 120 | | |
| 899 | G | 35 | Very low | 30.8 | Very low | 67 Ų | 67 | 122.6 Ų | 122.6 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | | | cis | 89.3 | 127.3 | 10.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 900 | G | 36.5 | Very low | 30.9 | Very low | 60 Ų | 60 | 124.7 Ų | 124.7 | 62% | 0.619 | 78% | 0.777 | S | S | * | * | | | cis | 155.3 | 151.7 | -0.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 901 | F | 34.9 | Very low | 31.1 | Very low | 217 Ų | 217 | 123 Ų | 123 | 95% | 0.952 | 77% | 0.77 | S | S | * | * | | | cis | -146 | -158.4 | 2.3 | -54.6 | -81.4 | 0 | 0 | 0 | 107.8 | | |
| 902 | G | 35.2 | Very low | 31.6 | Very low | 71 Ų | 71 | 120.3 Ų | 120.3 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | | | cis | 178.2 | -158.6 | 9.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 903 | L | 34.9 | Very low | 31.7 | Very low | 185 Ų | 185 | 122 Ų | 122 | 97% | 0.969 | 78% | 0.776 | S | S | * | * | | | trans | -135.1 | 176.7 | 178.1 | -61.4 | 150 | 0 | 0 | 0 | 108.4 | | |
| 904 | A | 33 | Very low | 32 | Very low | 81 Ų | 81 | 121.2 Ų | 121.2 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | | | cis | -162.2 | -174.6 | 12 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 905 | N | 32.3 | Very low | 31.7 | Very low | 141 Ų | 141 | 121.7 Ų | 121.7 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | | | trans | 77.3 | 100.7 | 147.5 | -80.4 | 17.4 | 0 | 0 | 0 | 124.2 | | |
| 906 | T | 30.9 | Very low | 31.6 | Very low | 123 Ų | 123 | 118.5 Ų | 118.5 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | | 65.2 | 140.3 | 120.2 | 58.4 | 0 | 0 | 0 | 0 | 124.9 | | |
| 907 | V | 27.6 | Very low | 31.5 | Very low | 128 Ų | 128 | 117.3 Ų | 117.3 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | | | trans | 88.1 | 101.4 | 157.3 | 177.6 | 0 | 0 | 0 | 0 | 119.7 | | |
| 908 | S | 28.3 | Very low | 31.7 | Very low | 100 Ų | 100 | 117.7 Ų | 117.7 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | | | trans | 50.9 | 144.7 | 130.8 | -50.9 | 0 | 0 | 0 | 0 | 125.1 | | |
| 909 | T | 27 | Very low | 31.4 | Very low | 132 Ų | 132 | 114.1 Ų | 114.1 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | | | trans | 109.8 | 105.8 | 148.2 | 65.8 | 0 | 0 | 0 | 0 | 120.2 | | |
| 910 | V | 26.5 | Very low | 31 | Very low | 143 Ų | 143 | 115.1 Ų | 115.1 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | | | trans | 58.8 | 133.5 | 131.3 | -171.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 911 | A | 29.6 | Very low | 30.6 | Very low | 80 Ų | 80 | 116.8 Ų | 116.8 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | | | trans | -66.1 | 172 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 912 | P | 38.5 | Very low | 30.3 | Very low | 134 Ų | 134 | 112.1 Ų | 112.1 | 87% | 0.87 | 75% | 0.754 | S | S | * | * | | | | -137.6 | -178.5 | 107.3 | 39.5 | -29.1 | 0 | 0 | 0 | 115.6 | | |
| 913 | T | 29.7 | Very low | 30 | Very low | 136 Ų | 136 | 114.4 Ų | 114.4 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | | | trans | -116 | 143.7 | -169.4 | 48.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 914 | A | 31.9 | Very low | 29.8 | Very low | 94 Ų | 94 | 114.5 Ų | 114.5 | 78% | 0.777 | 75% | 0.749 | S | S | * | * | | | trans | 171.5 | 159.8 | 147.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 915 | T | 27.9 | Very low | 30 | Very low | 133 Ų | 133 | 114.9 Ų | 114.9 | 82% | 0.816 | 75% | 0.745 | S | S | * | * | | | cis | -169.1 | 160.3 | -26.6 | -82.5 | 0 | 0 | 0 | 0 | 109 | | |
| 916 | A | 28.5 | Very low | 29.8 | Very low | 62 Ų | 62 | 114 Ų | 114 | 51% | 0.512 | 75% | 0.745 | S | S | . | * | | | trans | 88.7 | 124.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 121 | R1136 | A916-R1136 HydrophobicContact CB-CG 4.37Š|
| 917 | A | 28.8 | Very low | 30.3 | Very low | 74 Ų | 74 | 116.5 Ų | 116.5 | 61% | 0.612 | 75% | 0.748 | S | S | * | * | | | trans | -88.5 | 171.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1136 | A917-R1136 PolarHBondContact O-NH2 2.72Š|
| 918 | P | 35.4 | Very low | 30.4 | Very low | 107 Ų | 107 | 115.6 Ų | 115.6 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | | | | -120.1 | 142.2 | 105.9 | 34.8 | -30.5 | 0 | 0 | 0 | 111.4 | | |
| 919 | T | 26.3 | Very low | 30.7 | Very low | 128 Ų | 128 | 116 Ų | 116 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | | | | 88.3 | 137 | 60.2 | -53.2 | 0 | 0 | 0 | 0 | 113 | | |
| 920 | A | 27.3 | Very low | 30.7 | Very low | 89 Ų | 89 | 118.8 Ų | 118.8 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | | | trans | 91.8 | 107.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 921 | A | 27.7 | Very low | 31.1 | Very low | 95 Ų | 95 | 117.5 Ų | 117.5 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | | | trans | 67.9 | 155.1 | 144.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 922 | T | 28.7 | Very low | 31.2 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 73% | 0.73 | 75% | 0.748 | S | S | * | * | | | cis | -148.9 | 153.8 | 0.7 | -25.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 923 | T | 28.5 | Very low | 31.1 | Very low | 118 Ų | 118 | 119.5 Ų | 119.5 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | | | trans | 41.7 | 113.9 | 150.7 | 45.2 | 0 | 0 | 0 | 0 | 122 | | |
| 924 | H | 32.3 | Very low | 31.2 | Very low | 188 Ų | 188 | 122.9 Ų | 122.9 | 87% | 0.87 | 74% | 0.736 | S | S | * | * | | | | -59.9 | 147.2 | 114.4 | -107.5 | -86.5 | 0 | 0 | 0 | 107.9 | | |
| 925 | P | 36.1 | Very low | 32 | Very low | 88 Ų | 88 | 124 Ų | 124 | 57% | 0.571 | 74% | 0.736 | S | S | * | * | | | | -151.8 | -145.4 | 60.7 | 38.5 | -15.5 | 0 | 0 | 0 | 113.3 | | |
| 926 | T | 29.1 | Very low | 32 | Very low | 123 Ų | 123 | 122.1 Ų | 122.1 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | | | trans | 66.6 | 126.7 | 154.9 | 41.8 | 0 | 0 | 0 | 0 | 117.1 | | |
| 927 | Q | 39.6 | Very low | 31.9 | Very low | 175 Ų | 175 | 128.2 Ų | 128.2 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | cis | 51.3 | 118 | 24.7 | -111.3 | -161.7 | 3 | 0 | 0 | 113.3 | | |
| 928 | P | 31.1 | Very low | 31.9 | Very low | 110 Ų | 110 | 133 Ų | 133 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | | | | -149.2 | 171.4 | 71.2 | 41.3 | -24.7 | 0 | 0 | 0 | 116 | | |
| 929 | T | 34.3 | Very low | 31.6 | Very low | 108 Ų | 108 | 132 Ų | 132 | 66% | 0.663 | 76% | 0.759 | S | S | * | * | | | trans | -52.1 | 136 | 150.2 | -55.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 930 | F | 26.1 | Very low | 31.9 | Very low | 190 Ų | 190 | 131.6 Ų | 131.6 | 83% | 0.833 | 76% | 0.758 | S | S | * | * | | | trans | -144 | 110.5 | 145.8 | -123.7 | -77.1 | 0 | 0 | 0 | 111.1 | | |
| 931 | T | 36.3 | Very low | 32.3 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | | | trans | -88.4 | 134.2 | 169.8 | -47.7 | 0 | 0 | 0 | 0 | 108 | | |
| 932 | F | 31.9 | Very low | 32.7 | Very low | 201 Ų | 201 | 131.1 Ų | 131.1 | 88% | 0.882 | 75% | 0.754 | S | S | * | * | | | trans | -127.8 | 117.2 | 163.8 | -154.6 | -89.9 | 0 | 0 | 0 | 109.6 | | |
| 933 | G | 35.1 | Very low | 32.6 | Very low | 54 Ų | 54 | 133.7 Ų | 133.7 | 56% | 0.557 | 76% | 0.758 | S | S | * | * | | | trans | -92.3 | -161.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 934 | K | 33.3 | Very low | 33.1 | Very low | 207 Ų | 207 | 132.4 Ų | 132.4 | 90% | 0.9 | 75% | 0.752 | S | S | * | * | | | trans | -134.3 | 153.7 | 165.7 | -82.3 | -175.4 | 176.9 | -179.4 | 0 | 108.9 | | |
| 935 | P | 47.1 | Very low | 33 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | | | cis | -130.9 | 173.6 | -7.3 | 37.3 | -20.6 | 0 | 0 | 0 | 115.1 | | |
| 936 | A | 28.2 | Very low | 32.6 | Very low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | | | trans | 74.1 | 108.5 | 150.3 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 937 | F | 27 | Very low | 32.4 | Very low | 191 Ų | 191 | 130.5 Ų | 130.5 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | | | trans | 75.4 | 148.5 | 134.2 | -134.8 | -104 | 0 | 0 | 0 | 121.4 | | |
| 938 | E | 27.5 | Very low | 31.8 | Very low | 174 Ų | 174 | 126.7 Ų | 126.7 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | | | trans | 58.8 | 154.3 | 172.4 | -99.4 | 168.8 | 129.2 | 0 | 0 | 121.9 | | |
| 939 | A | 29.2 | Very low | 31.5 | Very low | 86 Ų | 86 | 126.8 Ų | 126.8 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | | | trans | -114 | -163 | -175.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 940 | P | 33.5 | Very low | 31.2 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | cis | -130.8 | -150.5 | -10.6 | 40.9 | -22 | 0 | 0 | 0 | 111.1 | | |
| 941 | A | 35.1 | Very low | 31.2 | Very low | 87 Ų | 87 | 121.8 Ų | 121.8 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | | | trans | 73.1 | 119.9 | 158.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 942 | A | 36.8 | Very low | 31.4 | Very low | 87 Ų | 87 | 121.5 Ų | 121.5 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | | | | 86.2 | 141.5 | 75.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 943 | Q | 26.2 | Very low | 31.4 | Very low | 174 Ų | 174 | 118.8 Ų | 118.8 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | | | cis | 59.7 | 141 | 48 | -67.1 | -93.1 | -21.2 | 0 | 0 | 112.7 | | |
| 944 | P | 38.8 | Very low | 31.2 | Very low | 90 Ų | 90 | 124.3 Ų | 124.3 | 58% | 0.584 | 75% | 0.753 | S | S | * | * | | | cis | -139.7 | 179.3 | -44.2 | 38.2 | -22.7 | 0 | 0 | 0 | 113.3 | | |
| 945 | A | 31.4 | Very low | 32 | Very low | 89 Ų | 89 | 118.4 Ų | 118.4 | 74% | 0.736 | 74% | 0.736 | S | S | * | * | | | trans | 63.8 | -159.2 | 152.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 946 | F | 26.3 | Very low | 31.3 | Very low | 178 Ų | 178 | 122 Ų | 122 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | | | trans | 62.3 | 85 | 179.1 | -62.4 | -78.4 | 0 | 0 | 0 | 116.4 | | |
| 947 | S | 25.1 | Very low | 31.7 | Very low | 92 Ų | 92 | 122.4 Ų | 122.4 | 64% | 0.643 | 73% | 0.733 | S | S | * | * | | | | 82.9 | 156.2 | 80.5 | 71.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 948 | S | 26.5 | Very low | 32 | Very low | 95 Ų | 95 | 123.5 Ų | 123.5 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | | | trans | 57.9 | 86.3 | 150.8 | 55.1 | 0 | 0 | 0 | 0 | 119.1 | | |
| 949 | S | 26 | Very low | 32.2 | Very low | 112 Ų | 112 | 118.7 Ų | 118.7 | 78% | 0.783 | 74% | 0.735 | S | S | * | * | | | | 77.5 | 166.2 | 126.2 | 79.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 950 | S | 27 | Very low | 32.2 | Very low | 121 Ų | 121 | 120.1 Ų | 120.1 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | | | trans | 62.3 | 116.2 | -178.4 | 73 | 0 | 0 | 0 | 0 | 115.4 | | |
| 951 | G | 26.6 | Very low | 32.2 | Very low | 73 Ų | 73 | 119.8 Ų | 119.8 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | | | trans | -104.3 | 165.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 952 | P | 40.5 | Very low | 32.1 | Very low | 110 Ų | 110 | 119.6 Ų | 119.6 | 71% | 0.714 | 75% | 0.747 | S | S | * | * | | | trans | -131.3 | 125.2 | 156.2 | 17.3 | 4.3 | 0 | 0 | 0 | 115 | | |
| 953 | L | 32.6 | Very low | 32 | Very low | 145 Ų | 145 | 120.3 Ų | 120.3 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | | | | 70.4 | 162.9 | 123.7 | -56.8 | 175.9 | 0 | 0 | 0 | 117.6 | | |
| 954 | K | 30.7 | Very low | 32.3 | Very low | 170 Ų | 170 | 117 Ų | 117 | 74% | 0.739 | 75% | 0.749 | S | S | * | * | | | cis | -167.1 | 178.7 | 2.4 | -127.8 | 164.6 | -171.7 | 172.4 | 0 | 109.2 | | |
| 955 | P | 50.4 | Low | 32.1 | Very low | 83 Ų | 83 | 117.2 Ų | 117.2 | 54% | 0.539 | 75% | 0.753 | S | S | . | * | | | | -110.7 | -167.2 | -54.3 | 15.7 | 9.6 | 0 | 0 | 0 | 109.6 | | |
| 956 | F | 31.7 | Very low | 32 | Very low | 193 Ų | 193 | 118.8 Ų | 118.8 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | | | cis | -150.8 | -179.5 | 20.5 | -65.5 | -98.3 | 0 | 0 | 0 | 110.4 | | |
| 957 | T | 37.7 | Very low | 32.3 | Very low | 101 Ų | 101 | 116.2 Ų | 116.2 | 62% | 0.62 | 75% | 0.752 | S | S | * | * | | | | -171.7 | 142.1 | -56 | -75.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 958 | F | 31.6 | Very low | 32.5 | Very low | 214 Ų | 214 | 117 Ų | 117 | 94% | 0.939 | 76% | 0.764 | S | S | * | * | | | trans | 61.7 | 151.6 | -177.5 | -72.6 | -68.3 | 0 | 0 | 0 | 115.6 | | |
| 959 | G | 31.5 | Very low | 32.6 | Very low | 73 Ų | 73 | 116.3 Ų | 116.3 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | | | cis | 166 | 164.8 | -4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 960 | S | 31.1 | Very low | 32.6 | Very low | 116 Ų | 116 | 117.7 Ų | 117.7 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | | | cis | -166.7 | 177.3 | -8.7 | -161.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 961 | S | 33.5 | Very low | 32.6 | Very low | 113 Ų | 113 | 115.9 Ų | 115.9 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | | | trans | 54.3 | 105.7 | 157 | 62 | 0 | 0 | 0 | 0 | 124.5 | | |
| 962 | G | 31.3 | Very low | 32.6 | Very low | 82 Ų | 82 | 119.1 Ų | 119.1 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | | | trans | 89.6 | 150 | 131.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 963 | A | 36.2 | Very low | 32.1 | Very low | 102 Ų | 102 | 118 Ų | 118 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | | | cis | -165.8 | 163.5 | -13.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 964 | S | 31.2 | Very low | 32.4 | Very low | 106 Ų | 106 | 116.6 Ų | 116.6 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | | | trans | 89.2 | 118.4 | 152.3 | -143.4 | 0 | 0 | 0 | 0 | 122.9 | | |
| 965 | S | 34.3 | Very low | 32.3 | Very low | 94 Ų | 94 | 112.6 Ų | 112.6 | 66% | 0.657 | 77% | 0.772 | S | S | * | * | | | trans | 53.8 | 139.5 | 130.8 | 65.3 | 0 | 0 | 0 | 0 | 122.7 | | |
| 966 | T | 30.6 | Very low | 31.9 | Very low | 121 Ų | 121 | 112.1 Ų | 112.1 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | | | cis | -164.8 | 149 | -2.5 | 11.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 967 | T | 31.3 | Very low | 31.9 | Very low | 125 Ų | 125 | 108.7 Ų | 108.7 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | | | trans | 29.9 | 120.1 | 149.9 | 57.7 | 0 | 0 | 0 | 0 | 123 | | |
| 968 | A | 30.2 | Very low | 31.5 | Very low | 107 Ų | 107 | 108.4 Ų | 108.4 | 88% | 0.884 | 75% | 0.752 | S | S | * | * | | | | 38 | 127 | 125.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 969 | G | 27.9 | Very low | 31.3 | Very low | 82 Ų | 82 | 107.7 Ų | 107.7 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | | | trans | -171.1 | 123.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 970 | T | 26.7 | Very low | 31.2 | Very low | 140 Ų | 140 | 108.1 Ų | 108.1 | 86% | 0.859 | 75% | 0.745 | S | S | * | * | | | trans | -72.6 | 160.9 | -177.8 | 50.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 971 | A | 27.5 | Very low | 31.1 | Very low | 84 Ų | 84 | 106.8 Ų | 106.8 | 69% | 0.694 | 74% | 0.742 | S | S | * | * | | | trans | 91.7 | 147.2 | 137.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 972 | T | 25.7 | Very low | 31.5 | Very low | 141 Ų | 141 | 107.4 Ų | 107.4 | 87% | 0.865 | 74% | 0.743 | S | S | * | * | | | trans | 79.8 | 142.5 | 155.2 | -2.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 973 | A | 31.2 | Very low | 31.4 | Very low | 86 Ų | 86 | 107.2 Ų | 107.2 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | | | trans | -77.5 | 174.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 974 | P | 38.8 | Very low | 31.2 | Very low | 116 Ų | 116 | 108.7 Ų | 108.7 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | | | cis | -118.1 | 174 | 30.6 | 10.8 | 16.8 | 0 | 0 | 0 | 113.5 | | |
| 975 | A | 26.9 | Very low | 31.3 | Very low | 86 Ų | 86 | 108.5 Ų | 108.5 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | | | cis | 69.9 | 150.3 | 49.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 976 | P | 43.5 | Very low | 31 | Very low | 73 Ų | 73 | 109.3 Ų | 109.3 | 47% | 0.474 | 75% | 0.751 | S | S | . | * | | | cis | -149.2 | -179.1 | -27.5 | 30.6 | -5.1 | 0 | 0 | 0 | 117.5 | A729 | A729-P976 WeakPolarHBondContact CB-O 3.08Š|
| 977 | F | 31.1 | Very low | 30.9 | Very low | 120 Ų | 120 | 108 Ų | 108 | 53% | 0.526 | 75% | 0.753 | S | S | . | * | | | trans | 73.6 | 132.9 | 160.7 | -59.7 | -88.9 | 0 | 0 | 0 | 125.2 | I727 F728 A729 | I727-F977 WeakPolarHBondContact O-CE2 3.17Å; I727-F977 WeakPolarHBondContact O-CZ 3.21Å; F728-F977 VanDerWaalsContact C-CD2 3.41Å; A729-F977 HydrophobicContact CB-CB 3.89Å; A729-F977 HydrophobicContact CB-CD2 4.48Å; A729-F977 WeakPolarHBondContact O-CB 3.13Å |
| 978 | T | 29.3 | Very low | 30.7 | Very low | 95 Ų | 95 | 108.9 Ų | 108.9 | 58% | 0.583 | 76% | 0.758 | S | S | * | * | | | trans | 54.7 | 122.1 | 138.8 | 58.6 | 0 | 0 | 0 | 0 | 123.6 | A729 | A729-T978 PolarHBondContact O-OG1 3.24Š|
| 979 | F | 27.5 | Very low | 30.7 | Very low | 199 Ų | 199 | 107.8 Ų | 107.8 | 87% | 0.873 | 75% | 0.749 | S | S | * | * | | | | -140.2 | 171.6 | 95.1 | -149.2 | -107.7 | 0 | 0 | 0 | 111.1 | | |
| 980 | A | 28.3 | Very low | 30.8 | Very low | 82 Ų | 82 | 110 Ų | 110 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | | | trans | -98.9 | -179.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 981 | A | 30.8 | Very low | 30.9 | Very low | 89 Ų | 89 | 109.2 Ų | 109.2 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | | | cis | -143 | -115.1 | 8.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 982 | P | 41.8 | Very low | 31.1 | Very low | 125 Ų | 125 | 109.3 Ų | 109.3 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | | | | -110 | -162.1 | -115.5 | 39.9 | -22.9 | 0 | 0 | 0 | 111.7 | | |
| 983 | A | 28.9 | Very low | 31.7 | Very low | 78 Ų | 78 | 108 Ų | 108 | 65% | 0.645 | 74% | 0.741 | S | S | * | * | | | cis | -159.3 | 168 | 9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 984 | P | 32.6 | Very low | 31.6 | Very low | 134 Ų | 134 | 109.5 Ų | 109.5 | 87% | 0.87 | 74% | 0.741 | S | S | * | * | | | trans | -95.9 | 123.4 | 153.5 | 33.8 | -25.8 | 0 | 0 | 0 | 110.7 | | |
| 985 | A | 32.1 | Very low | 31.2 | Very low | 101 Ų | 101 | 111.1 Ų | 111.1 | 84% | 0.835 | 74% | 0.737 | S | S | * | * | | | trans | -149.9 | 131.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 986 | A | 28.9 | Very low | 31.4 | Very low | 111 Ų | 111 | 110.5 Ų | 110.5 | 92% | 0.917 | 74% | 0.738 | S | S | * | * | | | trans | -134.1 | 71.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 987 | A | 27.4 | Very low | 31 | Very low | 93 Ų | 93 | 113.8 Ų | 113.8 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -156.8 | 55.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 988 | V | 27.9 | Very low | 31.6 | Very low | 145 Ų | 145 | 113.9 Ų | 113.9 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | | | trans | 42.8 | 108.8 | 146.7 | -173.7 | 0 | 0 | 0 | 0 | 119.3 | | |
| 989 | A | 29.7 | Very low | 31.7 | Very low | 84 Ų | 84 | 114 Ų | 114 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | | | | -169.5 | 108.4 | 127.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 990 | T | 30.8 | Very low | 31.7 | Very low | 129 Ų | 129 | 114 Ų | 114 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | 46 | 126.2 | 144.8 | 53.5 | 0 | 0 | 0 | 0 | 124.2 | | |
| 991 | S | 28.7 | Very low | 32.2 | Very low | 123 Ų | 123 | 115.1 Ų | 115.1 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | 78.2 | 140.8 | 140.7 | 51.5 | 0 | 0 | 0 | 0 | 123 | | |
| 992 | A | 31.2 | Very low | 32.1 | Very low | 85 Ų | 85 | 115 Ų | 115 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | | | trans | -102.4 | -160.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 993 | P | 38.7 | Very low | 31.4 | Very low | 115 Ų | 115 | 119.6 Ų | 119.6 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | | | cis | -108.8 | 172.7 | -9.2 | 8.2 | 18.4 | 0 | 0 | 0 | 112.8 | | |
| 994 | T | 29.2 | Very low | 31.4 | Very low | 116 Ų | 116 | 119.5 Ų | 119.5 | 71% | 0.712 | 79% | 0.794 | S | S | * | * | | | cis | 89.2 | 143.1 | 41.2 | -49 | 0 | 0 | 0 | 0 | 114.6 | | |
| 995 | F | 30.1 | Very low | 31.2 | Very low | 151 Ų | 151 | 118.1 Ų | 118.1 | 66% | 0.662 | 79% | 0.794 | S | S | * | * | | | trans | 78.2 | 140.8 | -170.5 | -62.8 | -84.2 | 0 | 0 | 0 | 116.1 | S541 | S541-F995 WeakPolarHBondContact OG-CE1 3.37Å; S541-F995 WeakPolarHBondContact OG-CZ 2.94Å |
| 996 | G | 31.6 | Very low | 31.1 | Very low | 72 Ų | 72 | 117.1 Ų | 117.1 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | | | cis | -177.9 | 147.1 | -7.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 997 | T | 33.7 | Very low | 31.4 | Very low | 142 Ų | 142 | 116.8 Ų | 116.8 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | | | trans | -77.2 | 165.1 | 168.3 | 40.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 998 | P | 44.7 | Very low | 31.7 | Very low | 122 Ų | 122 | 118.1 Ų | 118.1 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | | | cis | -144.2 | -155 | 26.9 | 44.1 | -22.8 | 0 | 0 | 0 | 115.8 | | |
| 999 | A | 30.4 | Very low | 32 | Very low | 99 Ų | 99 | 114.1 Ų | 114.1 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | 106.8 | 116.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 1000 | K | 29.3 | Very low | 32.2 | Very low | 199 Ų | 199 | 119.4 Ų | 119.4 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | | | trans | -84.4 | 159.9 | 159.4 | 142.2 | -165.4 | -180 | -174.5 | 0 | 107.8 | | |
| 1001 | P | 37.8 | Very low | 32.5 | Very low | 105 Ų | 105 | 116.4 Ų | 116.4 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | | | cis | -137.9 | 167.4 | 20.9 | 36.8 | -17.3 | 0 | 0 | 0 | 118.6 | | |
| 1002 | A | 28.4 | Very low | 32.7 | Very low | 86 Ų | 86 | 120.5 Ų | 120.5 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | | | trans | 56.5 | 154.4 | 136.9 | 0 | 0 | 0 | 0 | 0 | 123.7 | | |
| 1003 | F | 28.1 | Very low | 32.9 | Very low | 221 Ų | 221 | 119.9 Ų | 119.9 | 97% | 0.969 | 77% | 0.772 | S | S | * | * | | | trans | 61.5 | 165 | 171.3 | -84.6 | -83.7 | 0 | 0 | 0 | 117.1 | | |
| 1004 | G | 28.3 | Very low | 32.8 | Very low | 77 Ų | 77 | 118.8 Ų | 118.8 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | | | trans | 110.4 | 120.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1005 | A | 28.9 | Very low | 33 | Very low | 105 Ų | 105 | 117 Ų | 117 | 87% | 0.868 | 76% | 0.759 | S | S | * | * | | | trans | -87 | 145.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1006 | G | 29.9 | Very low | 33.2 | Very low | 79 Ų | 79 | 113.5 Ų | 113.5 | 81% | 0.814 | 76% | 0.758 | S | S | * | * | | | trans | 73.7 | -179.6 | 146.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1007 | S | 34.2 | Very low | 33.1 | Very low | 105 Ų | 105 | 114.6 Ų | 114.6 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | cis | -150.7 | 144.3 | -7.3 | 65.8 | 0 | 0 | 0 | 0 | 113 | | |
| 1008 | T | 35.3 | Very low | 33.4 | Very low | 120 Ų | 120 | 113.4 Ų | 113.4 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | | | trans | 29.1 | 129.5 | 146.2 | 56.1 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1009 | G | 33.3 | Very low | 32.6 | Very low | 61 Ų | 61 | 112.2 Ų | 112.2 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | | | | -159 | 131.8 | 117.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1010 | F | 33.3 | Very low | 32.4 | Very low | 196 Ų | 196 | 113.4 Ų | 113.4 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | S | Bend | cis | -159.7 | 178.9 | -7.7 | -63.6 | -77.4 | 0 | 0 | 0 | 107.5 | | |
| 1011 | A | 36.8 | Very low | 32.2 | Very low | 66 Ų | 66 | 110.2 Ų | 110.2 | 55% | 0.545 | 74% | 0.743 | S | S | . | * | | | | -162.7 | 161.4 | -54.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 1012 | F | 33.3 | Very low | 32.4 | Very low | 208 Ų | 208 | 110.9 Ų | 110.9 | 91% | 0.912 | 75% | 0.747 | S | S | * | * | | | cis | -112.9 | -131.8 | 4.8 | -57.3 | -94 | 0 | 0 | 0 | 109.7 | | |
| 1013 | G | 35.3 | Very low | 32.3 | Very low | 72 Ų | 72 | 111.8 Ų | 111.8 | 74% | 0.742 | 75% | 0.749 | S | S | * | * | | | cis | 94 | 140.8 | 9.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1014 | A | 36.3 | Very low | 32.4 | Very low | 93 Ų | 93 | 111.5 Ų | 111.5 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | | | cis | -159.1 | 179.6 | -3 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1015 | N | 34.3 | Very low | 32.5 | Very low | 78 Ų | 78 | 111.3 Ų | 111.3 | 42% | 0.417 | 75% | 0.746 | S | S | . | * | | | cis | -146.6 | -77.4 | 4.7 | -151.9 | 5.1 | 0 | 0 | 0 | 114.9 | S740 E742 | S740-N1015 PolarHBondContact OG-O 3.42Å; E742-N1015 PolarHBondContact OE2-ND2 3.25Å |
| 1016 | A | 34.7 | Very low | 32.6 | Very low | 78 Ų | 78 | 109.6 Ų | 109.6 | 65% | 0.645 | 74% | 0.739 | S | S | * | * | | | trans | -165.6 | 141.7 | -158.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1017 | A | 29.1 | Very low | 32.7 | Very low | 95 Ų | 95 | 110.8 Ų | 110.8 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | | | | 84.2 | 163.4 | 69.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1018 | P | 40.5 | Very low | 32.5 | Very low | 116 Ų | 116 | 112 Ų | 112 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | | | cis | -140.6 | -178.5 | 6 | 40.7 | -19.8 | 0 | 0 | 0 | 118 | | |
| 1019 | S | 27.9 | Very low | 32.3 | Very low | 98 Ų | 98 | 114.1 Ų | 114.1 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | | | trans | 55 | 108.8 | 143.1 | 63.4 | 0 | 0 | 0 | 0 | 125.2 | | |
| 1020 | V | 26.1 | Very low | 32.1 | Very low | 123 Ų | 123 | 115.4 Ų | 115.4 | 75% | 0.745 | 74% | 0.735 | S | S | * | * | | | trans | 25.6 | 118.5 | 131.9 | -71.9 | 0 | 0 | 0 | 0 | 124.3 | | |
| 1021 | T | 24.8 | Very low | 31.9 | Very low | 132 Ų | 132 | 114.4 Ų | 114.4 | 81% | 0.81 | 73% | 0.733 | S | S | * | * | | | trans | 66.7 | 160.1 | 134.8 | 63.9 | 0 | 0 | 0 | 0 | 120.5 | | |
| 1022 | P | 41.5 | Very low | 31.6 | Very low | 119 Ų | 119 | 115.9 Ų | 115.9 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | | | cis | -130.3 | -174.6 | 2.3 | 41.1 | -24.6 | 0 | 0 | 0 | 116 | | |
| 1023 | S | 25.8 | Very low | 31.5 | Very low | 106 Ų | 106 | 109 Ų | 109 | 74% | 0.741 | 72% | 0.717 | S | S | * | * | | | trans | 95.1 | 119.6 | 145.3 | -144.5 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1024 | F | 30.4 | Very low | 31.4 | Very low | 214 Ų | 214 | 109.5 Ų | 109.5 | 94% | 0.939 | 71% | 0.709 | S | S | * | * | | | trans | 29.1 | 129.7 | 142 | -101.2 | -99.7 | 0 | 0 | 0 | 122.8 | | |
| 1025 | G | 31.8 | Very low | 31.1 | Very low | 73 Ų | 73 | 109.3 Ų | 109.3 | 75% | 0.753 | 70% | 0.698 | S | S | * | * | | | trans | 164.2 | 135.3 | 147 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1026 | G | 30.7 | Very low | 31 | Very low | 70 Ų | 70 | 108 Ų | 108 | 72% | 0.722 | 70% | 0.695 | S | S | * | * | | | trans | -46.8 | 143.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1027 | S | 31.2 | Very low | 30.7 | Very low | 104 Ų | 104 | 110.6 Ų | 110.6 | 73% | 0.727 | 70% | 0.703 | S | S | * | * | | | | 90.4 | 150.1 | 62.6 | 70.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1028 | T | 30.5 | Very low | 31 | Very low | 130 Ų | 130 | 113.3 Ų | 113.3 | 80% | 0.798 | 70% | 0.698 | S | S | * | * | | | trans | 74.9 | 139.6 | 176.6 | 64.5 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1029 | Q | 30 | Very low | 31.3 | Very low | 164 Ų | 164 | 112.1 Ų | 112.1 | 77% | 0.766 | 69% | 0.69 | S | S | * | * | | | cis | -164.7 | 172 | -19.6 | -163.5 | -179.7 | -23 | 0 | 0 | 111.1 | | |
| 1030 | T | 29.6 | Very low | 31.5 | Very low | 89 Ų | 89 | 114.3 Ų | 114.3 | 55% | 0.546 | 69% | 0.687 | S | S | . | * | | | trans | 85.1 | 116.2 | 143.2 | 20.4 | 0 | 0 | 0 | 0 | 121.8 | | |
| 1031 | Q | 29.9 | Very low | 31.6 | Very low | 175 Ų | 175 | 111.2 Ų | 111.2 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | | | | 66 | 150.5 | 127.2 | -75.8 | 168.9 | -7.1 | 0 | 0 | 119.5 | | |
| 1032 | S | 29.9 | Very low | 31.8 | Very low | 97 Ų | 97 | 110.9 Ų | 110.9 | 68% | 0.678 | 68% | 0.683 | S | S | * | * | | | cis | -162.2 | 177.4 | 3.9 | -121.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1033 | S | 32 | Very low | 31.1 | Very low | 64 Ų | 64 | 110.3 Ų | 110.3 | 45% | 0.448 | 68% | 0.682 | S | S | . | * | | | cis | -167.9 | -172.8 | -0.5 | -117.8 | 0 | 0 | 0 | 0 | 109.1 | D300 R301 | D300-S1033 WeakPolarHBondContact O-CB 3.33Å; D300-S1033 PolarHBondContact O-OG 3.48Å; R301-S1033 PolarHBondContact O-OG 2.95Å |
| 1034 | S | 32.3 | Very low | 31.2 | Very low | 81 Ų | 81 | 111.3 Ų | 111.3 | 57% | 0.566 | 69% | 0.689 | S | S | * | * | | | trans | 84.2 | 139.6 | 150.9 | 83.1 | 0 | 0 | 0 | 0 | 119.1 | E299 D300 | E299-S1034 CarbonylContact O-C 3.1Å; E299-S1034 WeakPolarHBondContact O-CA 3.38Å; E299-S1034 PolarHBondContact O-N 3.43Å; D300-S1034 PolarHBondContact O-N 3.42Å |
| 1035 | T | 31 | Very low | 31.2 | Very low | 89 Ų | 89 | 104.9 Ų | 104.9 | 55% | 0.546 | 68% | 0.683 | S | S | . | * | | | cis | -158.8 | 132.5 | -5 | 5.4 | 0 | 0 | 0 | 0 | 115.3 | E299 | E299-T1035 WeakPolarHBondContact O-CA 3.45Å; E299-T1035 PolarHBondContact O-N 3.12Å; E299-T1035 VanDerWaalsContact O-N 3.08Å |
| 1036 | S | 31.1 | Very low | 31.3 | Very low | 50 Ų | 50 | 106.2 Ų | 106.2 | 35% | 0.35 | 69% | 0.687 | S | S | . | * | | | trans | 37.6 | 145.2 | 134.4 | 75.7 | 0 | 0 | 0 | 0 | 124.5 | E299 | E299-S1036 VanDerWaalsContact CD-CA 3.45Å; E299-S1036 VanDerWaalsContact OE1-CA 3.32Å; E299-S1036 WeakPolarHBondContact OE1-CA 3.37Å; E299-S1036 WeakPolarHBondContact OE2-CA 3.15Å; E299-S1036 PolarHBondContact OE2-N 2.92Å |
| 1037 | T | 28.6 | Very low | 31.3 | Very low | 133 Ų | 133 | 106.9 Ų | 106.9 | 82% | 0.816 | 69% | 0.686 | S | S | * | * | | | | -171.5 | 140 | 125 | -78.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1038 | F | 36.2 | Very low | 31.2 | Very low | 153 Ų | 153 | 110.4 Ų | 110.4 | 67% | 0.671 | 69% | 0.691 | S | S | * | * | | | trans | -89.2 | 168.9 | -179.9 | -50.5 | -96.5 | 0 | 0 | 0 | 114.2 | | |
| 1039 | P | 45.2 | Very low | 31.2 | Very low | 91 Ų | 91 | 109.6 Ų | 109.6 | 59% | 0.591 | 69% | 0.69 | S | S | * | * | | | | -154.2 | 154.1 | 87 | 39.1 | -20.1 | 0 | 0 | 0 | 118.9 | | |
| 1040 | F | 32.2 | Very low | 31.1 | Very low | 144 Ų | 144 | 106.7 Ų | 106.7 | 63% | 0.632 | 69% | 0.694 | S | S | * | * | | | trans | 43.7 | 137.1 | 148.5 | -81.5 | -103.4 | 0 | 0 | 0 | 122.6 | H371 A372 | H371-F1040 HydrophobicContact CB-CD2 3.61Å; H371-F1040 HydrophobicContact CB-CE2 3.62Å; H371-F1040 HydrophobicContact CB-CG 4.12Å; H371-F1040 HydrophobicContact CB-CZ 4.12Å; A372-F1040 WeakPolarHBondContact O-CE1 3.32Å; A372-F1040 WeakPolarHBondContact O-CZ 3.41Å |
| 1041 | G | 30 | Very low | 31.3 | Very low | 57 Ų | 57 | 106.7 Ų | 106.7 | 59% | 0.588 | 70% | 0.703 | S | S | * | * | | | cis | 161.3 | 174.6 | -4.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1042 | S | 27.1 | Very low | 31.3 | Very low | 125 Ų | 125 | 104.7 Ų | 104.7 | 87% | 0.874 | 71% | 0.708 | S | S | * | * | | | trans | 65.4 | 143.2 | 178 | 31.5 | 0 | 0 | 0 | 0 | 117.6 | | |
| 1043 | S | 27.6 | Very low | 31.1 | Very low | 107 Ų | 107 | 103.8 Ų | 103.8 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | | | cis | -164.2 | 172.3 | -1.2 | 45.5 | 0 | 0 | 0 | 0 | 113 | | |
| 1044 | S | 29 | Very low | 31 | Very low | 128 Ų | 128 | 106.5 Ų | 106.5 | 90% | 0.895 | 73% | 0.734 | S | S | * | * | | | trans | 75.5 | 147.4 | 179.4 | 78.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1045 | G | 29.2 | Very low | 31 | Very low | 79 Ų | 79 | 106.8 Ų | 106.8 | 81% | 0.814 | 74% | 0.741 | S | S | * | * | | | cis | -169 | 163.1 | -6.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 1046 | A | 33.8 | Very low | 31.1 | Very low | 101 Ų | 101 | 111.4 Ų | 111.4 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | | | trans | -128.5 | 135.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1047 | A | 31.5 | Very low | 31.8 | Very low | 84 Ų | 84 | 113.9 Ų | 113.9 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | | | trans | 52.8 | 120.1 | 152.4 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1048 | Q | 28.5 | Very low | 32.4 | Very low | 178 Ų | 178 | 111.8 Ų | 111.8 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | | | trans | 69.2 | 102.1 | 131.6 | -64.7 | 176.8 | -71.8 | 0 | 0 | 122.3 | | |
| 1049 | S | 31.3 | Very low | 32.1 | Very low | 113 Ų | 113 | 111.7 Ų | 111.7 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | | 50.5 | 124.1 | 111.3 | -49.7 | 0 | 0 | 0 | 0 | 123.5 | | |
| 1050 | A | 28.2 | Very low | 31.5 | Very low | 103 Ų | 103 | 111 Ų | 111 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | | | trans | 70.8 | 147.1 | 148.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 1051 | A | 33.1 | Very low | 31.3 | Very low | 88 Ų | 88 | 107.2 Ų | 107.2 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | cis | -165.2 | 167.8 | -18.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1052 | S | 30.5 | Very low | 31.4 | Very low | 133 Ų | 133 | 114.2 Ų | 114.2 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | | | trans | 74.3 | 123.8 | 163 | -61.7 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1053 | G | 25.7 | Very low | 31.9 | Very low | 79 Ų | 79 | 114.6 Ų | 114.6 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | | | trans | 172.8 | 118.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1054 | S | 29.1 | Very low | 32.4 | Very low | 121 Ų | 121 | 118.5 Ų | 118.5 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | | | trans | -72.2 | 167.3 | -176.3 | 43.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1055 | A | 32.5 | Very low | 32.6 | Very low | 87 Ų | 87 | 115.5 Ų | 115.5 | 72% | 0.719 | 79% | 0.791 | S | S | * | * | | | cis | -175.2 | 145.6 | -27 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 1056 | Q | 32.7 | Very low | 32.7 | Very low | 186 Ų | 186 | 116.7 Ų | 116.7 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | | | trans | 61.7 | 167.3 | 151.2 | -90.8 | -164.4 | -28.7 | 0 | 0 | 122.1 | | |
| 1057 | P | 46.8 | Very low | 32.6 | Very low | 101 Ų | 101 | 116.1 Ų | 116.1 | 66% | 0.656 | 78% | 0.783 | S | S | * | * | | | cis | -137.6 | 143.5 | -20.9 | 31 | -10.8 | 0 | 0 | 0 | 118.1 | | |
| 1058 | A | 40.1 | Very low | 32.7 | Very low | 90 Ų | 90 | 120.5 Ų | 120.5 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | | | trans | 65.1 | 156.3 | 130.5 | 0 | 0 | 0 | 0 | 0 | 126.1 | | |
| 1059 | T | 30.7 | Very low | 32.9 | Very low | 150 Ų | 150 | 116.4 Ų | 116.4 | 92% | 0.92 | 78% | 0.782 | S | S | * | * | | | trans | 81.3 | 125.5 | 165.4 | -20.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 1060 | G | 31.1 | Very low | 32.8 | Very low | 78 Ų | 78 | 117 Ų | 117 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | cis | 165.2 | 142.9 | -14 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1061 | G | 29.1 | Very low | 33.9 | Very low | 63 Ų | 63 | 118.1 Ų | 118.1 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | | | trans | 136.8 | 118.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 1062 | F | 31.1 | Very low | 33.7 | Very low | 205 Ų | 205 | 121.9 Ų | 121.9 | 90% | 0.899 | 79% | 0.786 | S | S | * | * | | | trans | 54.4 | 103.5 | 140.4 | -44.8 | -71.4 | 0 | 0 | 0 | 124.8 | | |
| 1063 | N | 38.1 | Very low | 33.7 | Very low | 132 Ų | 132 | 125 Ų | 125 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | | 33.1 | 159.1 | 118.9 | -88.7 | -25.5 | 0 | 0 | 0 | 123.7 | | |
| 1064 | F | 38.6 | Very low | 34 | Very low | 189 Ų | 189 | 124.3 Ų | 124.3 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | | | cis | -159.8 | 159 | 14.4 | -116.7 | -48.8 | 0 | 0 | 0 | 112 | | |
| 1065 | G | 32.1 | Very low | 34.2 | Very low | 66 Ų | 66 | 125.1 Ų | 125.1 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | | | trans | 118.2 | 105.1 | 142.5 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1066 | A | 32.6 | Very low | 34.8 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | | | | 43.2 | 151.9 | 126.1 | 0 | 0 | 0 | 0 | 0 | 124.1 | | |
| 1067 | S | 31 | Very low | 34.6 | Very low | 89 Ų | 89 | 123.6 Ų | 123.6 | 62% | 0.622 | 77% | 0.772 | S | S | * | * | | | cis | -178.4 | 147.5 | -14.5 | 53.9 | 0 | 0 | 0 | 0 | 114 | | |
| 1068 | M | 33.9 | Very low | 33.9 | Very low | 176 Ų | 176 | 124.2 Ų | 124.2 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | | | trans | 64 | 160.2 | 144.9 | -75.6 | -166.7 | -100.1 | 0 | 0 | 121.4 | | |
| 1069 | S | 31.8 | Very low | 33.3 | Very low | 93 Ų | 93 | 125.6 Ų | 125.6 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | | | cis | -174.2 | 150.4 | -20.5 | 53.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1070 | C | 30.5 | Very low | 33.4 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | | | trans | 63.9 | 171.3 | 148 | -83.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 1071 | P | 50.5 | Low | 33.5 | Very low | 128 Ų | 128 | 128.1 Ų | 128.1 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | | | cis | -129.3 | -170.5 | 11.5 | 43.9 | -27.6 | 0 | 0 | 0 | 117.6 | | |
| 1072 | Q | 30 | Very low | 33.6 | Very low | 167 Ų | 167 | 129.4 Ų | 129.4 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | | | trans | -138.8 | 173.7 | -179.1 | -174.7 | -177.4 | -43.3 | 0 | 0 | 109.9 | | |
| 1073 | F | 30.1 | Very low | 34.4 | Very low | 197 Ų | 197 | 124.9 Ų | 124.9 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | trans | 74 | 150.4 | 180 | -82.7 | -101.9 | 0 | 0 | 0 | 115.6 | | |
| 1074 | G | 31.6 | Very low | 34 | Very low | 65 Ų | 65 | 126.7 Ų | 126.7 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | | | cis | -167.9 | 171.4 | -1.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 1075 | T | 33.2 | Very low | 33.6 | Very low | 138 Ų | 138 | 126.4 Ų | 126.4 | 85% | 0.847 | 78% | 0.781 | S | S | * | * | | | trans | -85.3 | -177.2 | -179.1 | 55.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1076 | P | 45.2 | Very low | 33.5 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | | | cis | -146.6 | -153.8 | 13.2 | 37.8 | -11.7 | 0 | 0 | 0 | 116.7 | | |
| 1077 | V | 28.3 | Very low | 33.3 | Very low | 131 Ų | 131 | 126.5 Ų | 126.5 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | | | trans | 104.8 | 128.8 | 157.3 | -171.8 | 0 | 0 | 0 | 0 | 118.4 | | |
| 1078 | S | 32.5 | Very low | 33.3 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -111.7 | 146.1 | 170 | -51.6 | 0 | 0 | 0 | 0 | 111 | | |
| 1079 | S | 28.3 | Very low | 33.1 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | trans | -176.5 | 159.3 | 138.5 | 48.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1080 | N | 32.7 | Very low | 33.1 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | trans | -155.1 | 114.1 | 176.8 | 173 | 9.7 | 0 | 0 | 0 | 108.8 | | |
| 1081 | T | 31.8 | Very low | 33.1 | Very low | 127 Ų | 127 | 132.2 Ų | 132.2 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | | | trans | -157.8 | 101.2 | 177.9 | 31.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1082 | A | 32.8 | Very low | 32.1 | Very low | 89 Ų | 89 | 131.3 Ų | 131.3 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | | | trans | 61.7 | -174.3 | 137.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 1083 | P | 47.1 | Very low | 32.1 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | | | cis | -135.5 | 163.1 | -6.6 | 43.6 | -27.6 | 0 | 0 | 0 | 117.4 | | |
| 1084 | Q | 29.8 | Very low | 32.3 | Very low | 171 Ų | 171 | 122.4 Ų | 122.4 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | | | trans | 41.9 | 152.3 | 132.9 | -65.5 | -71.9 | 2.3 | 0 | 0 | 124.6 | | |
| 1085 | M | 29.9 | Very low | 32.3 | Very low | 183 Ų | 183 | 124.1 Ų | 124.1 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | | | trans | 69.7 | 154.1 | 166.2 | -56 | -165.5 | -69.3 | 0 | 0 | 116.9 | | |
| 1086 | G | 30.3 | Very low | 32.3 | Very low | 67 Ų | 67 | 121.5 Ų | 121.5 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | | | cis | -174.4 | 151.1 | -5.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1087 | S | 27.5 | Very low | 31.7 | Very low | 104 Ų | 104 | 124 Ų | 124 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | trans | -89.7 | 116.7 | -172.8 | 171.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1088 | F | 31.5 | Very low | 32 | Very low | 211 Ų | 211 | 126.8 Ų | 126.8 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | | | trans | -140.6 | 165 | 160.8 | -77.9 | -74.1 | 0 | 0 | 0 | 111.1 | | |
| 1089 | S | 29.1 | Very low | 32.4 | Very low | 88 Ų | 88 | 127 Ų | 127 | 62% | 0.615 | 80% | 0.803 | S | S | * | * | | | trans | -133.4 | 177.1 | -141.9 | -55.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1090 | F | 31.8 | Very low | 32.7 | Very low | 221 Ų | 221 | 125.2 Ų | 125.2 | 97% | 0.969 | 80% | 0.796 | S | S | * | * | | | trans | 91.4 | 138.3 | 166.1 | -61.9 | -80.8 | 0 | 0 | 0 | 118.6 | | |
| 1091 | G | 30.3 | Very low | 32.6 | Very low | 82 Ų | 82 | 127 Ų | 127 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | | | trans | 144.3 | 103.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1092 | A | 30.1 | Very low | 32.7 | Very low | 109 Ų | 109 | 124.3 Ų | 124.3 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | | | trans | -129.1 | 155 | -165.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1093 | G | 30.8 | Very low | 32.5 | Very low | 79 Ų | 79 | 126.7 Ų | 126.7 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | | | trans | 111 | 153.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1094 | A | 33.3 | Very low | 31.7 | Very low | 98 Ų | 98 | 126.5 Ų | 126.5 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | | | cis | -164.5 | 167.5 | -13 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 1095 | A | 32.9 | Very low | 31.9 | Very low | 101 Ų | 101 | 124.5 Ų | 124.5 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | | | trans | 68.9 | 154.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1096 | A | 32.9 | Very low | 32.7 | Very low | 82 Ų | 82 | 121.2 Ų | 121.2 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | | | cis | -166.7 | 153.6 | -28.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1097 | D | 31.3 | Very low | 32.5 | Very low | 164 Ų | 164 | 123.1 Ų | 123.1 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | | | trans | 69.2 | 159.8 | 146.4 | -67.5 | -38.1 | 0 | 0 | 0 | 125 | | |
| 1098 | K | 35.9 | Very low | 32.6 | Very low | 188 Ų | 188 | 127.8 Ų | 127.8 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | | | trans | -108.2 | 170 | -173.3 | -55.1 | 171.7 | -179.7 | 171.1 | 0 | 111 | | |
| 1099 | P | 39.3 | Very low | 32.7 | Very low | 119 Ų | 119 | 121 Ų | 121 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | | -130.2 | 161.2 | 90.6 | 9.3 | 13 | 0 | 0 | 0 | 112.4 | | |
| 1100 | A | 34.9 | Very low | 32.9 | Very low | 82 Ų | 82 | 126.7 Ų | 126.7 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | | | cis | 89.6 | 155.2 | 28.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1101 | F | 31.6 | Very low | 32.8 | Very low | 193 Ų | 193 | 120 Ų | 120 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | | | trans | 77.5 | 139.3 | -158 | -62 | -77.1 | 0 | 0 | 0 | 115 | | |
| 1102 | G | 32.9 | Very low | 32.9 | Very low | 69 Ų | 69 | 121 Ų | 121 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | | | cis | 177.9 | 161.1 | -5.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1103 | T | 28.5 | Very low | 33.1 | Very low | 140 Ų | 140 | 122 Ų | 122 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | | | cis | -153.8 | 154.6 | 15.2 | 49.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1104 | S | 31 | Very low | 33.5 | Very low | 106 Ų | 106 | 124 Ų | 124 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | | | trans | -97.5 | -178.9 | 162 | -51.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1105 | T | 34 | Very low | 33.5 | Very low | 128 Ų | 128 | 123 Ų | 123 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | cis | -161.9 | -170.2 | 10.7 | -10.9 | 0 | 0 | 0 | 0 | 106.5 | | |
| 1106 | P | 45.8 | Very low | 34.1 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | | | cis | -122.4 | -155.6 | -6.9 | 37.3 | -13.6 | 0 | 0 | 0 | 110.6 | | |
| 1107 | S | 28 | Very low | 34.5 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | cis | -155 | 173.6 | 13.8 | -152.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1108 | F | 29.6 | Very low | 35.2 | Very low | 202 Ų | 202 | 124.9 Ų | 124.9 | 89% | 0.886 | 79% | 0.791 | S | S | * | * | | | trans | -66.2 | 162 | 177.1 | -83.1 | -119.4 | 0 | 0 | 0 | 113.6 | | |
| 1109 | G | 32.3 | Very low | 35.1 | Very low | 68 Ų | 68 | 126.2 Ų | 126.2 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | | | trans | -125.3 | 133.7 | 146.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1110 | Q | 32.8 | Very low | 34.8 | Very low | 208 Ų | 208 | 124.2 Ų | 124.2 | 97% | 0.972 | 80% | 0.798 | S | S | * | * | | | trans | -173.2 | 142.1 | 146 | -107.2 | -177.4 | 18 | 0 | 0 | 109.8 | | |
| 1111 | G | 31.1 | Very low | 34.7 | Very low | 81 Ų | 81 | 126.2 Ų | 126.2 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | | | trans | 173.7 | 128.2 | 179 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1112 | A | 31.6 | Very low | 35.4 | Very low | 101 Ų | 101 | 122.7 Ų | 122.7 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | | | trans | -93.8 | 162.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1113 | T | 34.2 | Very low | 35.4 | Very low | 130 Ų | 130 | 124 Ų | 124 | 80% | 0.798 | 81% | 0.807 | S | S | * | * | | | trans | -57.9 | 158.5 | 159.6 | 39.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1114 | P | 40 | Very low | 35.9 | Very low | 121 Ų | 121 | 123.6 Ų | 123.6 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | | | cis | -148.8 | 129.5 | 34.9 | 37.2 | -14.2 | 0 | 0 | 0 | 119.7 | | |
| 1115 | G | 33.8 | Very low | 36.3 | Very low | 78 Ų | 78 | 124.5 Ų | 124.5 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | 63.1 | -177.2 | 152.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 1116 | P | 45.4 | Very low | 36.2 | Very low | 110 Ų | 110 | 125 Ų | 125 | 71% | 0.714 | 81% | 0.812 | S | S | * | * | | | cis | -136.4 | 139.3 | -32.7 | 36.6 | -20.1 | 0 | 0 | 0 | 115.2 | | |
| 1117 | I | 39.7 | Very low | 35.5 | Very low | 163 Ų | 163 | 128.7 Ų | 128.7 | 84% | 0.836 | 82% | 0.819 | S | S | * | * | | | trans | 70.1 | 160.7 | 157.2 | -55.7 | 157.8 | 0 | 0 | 0 | 114.6 | | |
| 1118 | P | 47.3 | Very low | 35.7 | Very low | 113 Ų | 113 | 126.8 Ų | 126.8 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | | | cis | -120.2 | -171.3 | -11.7 | 22.5 | 2.3 | 0 | 0 | 0 | 116.1 | | |
| 1119 | F | 34.2 | Very low | 36 | Very low | 216 Ų | 216 | 127.4 Ų | 127.4 | 95% | 0.947 | 82% | 0.819 | S | S | * | * | | | trans | -44.1 | 151.7 | 169.6 | -71.1 | -106.9 | 0 | 0 | 0 | 118.2 | | |
| 1120 | G | 32.1 | Very low | 36.1 | Very low | 78 Ų | 78 | 131.8 Ų | 131.8 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | | | trans | 160 | 126.2 | 154.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1121 | S | 33.8 | Very low | 36.1 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | | | trans | -104.7 | 177.8 | 165.6 | -49 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1122 | P | 45.1 | Very low | 36.2 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | | | cis | -143.4 | -166.4 | 6.7 | 43.9 | -24 | 0 | 0 | 0 | 116.1 | | |
| 1123 | A | 32.5 | Very low | 37 | Very low | 95 Ų | 95 | 126.2 Ų | 126.2 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | trans | 75.4 | 168 | 147 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 1124 | T | 40.3 | Very low | 37 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | | | trans | -96.7 | 145.6 | -167 | 50.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1125 | P | 39.5 | Very low | 36.7 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | | | trans | -98.5 | 144.4 | 163 | 35.7 | -30.1 | 0 | 0 | 0 | 113.2 | | |
| 1126 | V | 31 | Very low | 36.6 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | | | trans | -118.3 | 133.6 | 159.7 | 169.9 | 0 | 0 | 0 | 0 | 107.1 | | |
| 1127 | Q | 31.6 | Very low | 36 | Very low | 190 Ų | 190 | 134 Ų | 134 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | | | trans | -154.1 | 147.6 | 163.9 | -127.6 | 173.8 | 11.6 | 0 | 0 | 111.8 | | |
| 1128 | G | 31.9 | Very low | 35.9 | Very low | 68 Ų | 68 | 138.9 Ų | 138.9 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | | | trans | -134.5 | 165.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1129 | F | 36.6 | Very low | 35.3 | Very low | 215 Ų | 215 | 140.2 Ų | 140.2 | 94% | 0.943 | 82% | 0.823 | S | S | * | * | | | trans | -107 | 151.7 | 174.7 | -87.6 | -94 | 0 | 0 | 0 | 110.9 | | |
| 1130 | N | 32.9 | Very low | 35.3 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | | | trans | -148.1 | 133 | -175.1 | -170.5 | -4 | 0 | 0 | 0 | 110.9 | | |
| 1131 | A | 33.3 | Very low | 35.5 | Very low | 97 Ų | 97 | 139.4 Ų | 139.4 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | | | trans | -151.8 | 132.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1132 | G | 32.7 | Very low | 35.6 | Very low | 68 Ų | 68 | 140.4 Ų | 140.4 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | | | trans | -92.2 | -143 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 1133 | P | 49.5 | Very low | 35 | Very low | 109 Ų | 109 | 141.6 Ų | 141.6 | 71% | 0.708 | 82% | 0.817 | S | S | * | * | | | cis | -142.9 | 175.7 | 3.8 | 39.3 | -18.9 | 0 | 0 | 0 | 117.1 | | |
| 1134 | F | 33.3 | Very low | 35.2 | Very low | 206 Ų | 206 | 144.7 Ų | 144.7 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | | | trans | 62.5 | 155.5 | 169.2 | -61.7 | -74.4 | 0 | 0 | 0 | 117.9 | | |
| 1135 | G | 33.3 | Very low | 34.8 | Very low | 67 Ų | 67 | 145.6 Ų | 145.6 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | | | cis | -161.9 | 178.8 | 0.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1136 | R | 33.1 | Very low | 34.5 | Very low | 166 Ų | 166 | 147.2 Ų | 147.2 | 63% | 0.626 | 82% | 0.821 | S | S | * | * | | | trans | -78.4 | 178.1 | 178.2 | -50.3 | -179.3 | -177.4 | -169.6 | -1.5 | 110.8 | A916 A917 | A916-R1136 HydrophobicContact CB-CG 4.37Å; A917-R1136 PolarHBondContact O-NH2 2.72Å |
| 1137 | L | 33.3 | Very low | 34.8 | Very low | 162 Ų | 162 | 147.8 Ų | 147.8 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | | | cis | -134.4 | 175.5 | 18.2 | -79.5 | 93.7 | 0 | 0 | 0 | 109.2 | | |
| 1138 | K | 35.9 | Very low | 35.1 | Very low | 266 Ų | 266 | 144 Ų | 144 | 100% | 1.157 | 81% | 0.812 | S | S | * | * | | | cis | -150 | 0 | 29.2 | -178 | -178.1 | -179.7 | -178.7 | 0 | 111.4 | | |