| 1 | M | 76.2 | Confident | 82.3 | Confident | 196 Ų | 196 | 103.3 Ų | 103.3 | 97% | 0.966 | 53% | 0.525 | S | S | * | . | | | | 0 | -61.3 | 0 | -72.6 | -168.2 | -75.8 | 0 | 0 | 113.5 | L3 D4 Y5 | M1-L3 PolarHBondContact O-N 3.47Å; M1-D4 VanDerWaalsContact C-OD2 3.3Å; M1-D4 WeakPolarHBondContact CA-OD2 3.47Å; M1-D4 PolarHBondContact N-OD2 3.49Å; M1-D4 PolarHBondContact O-N 3.5Å; M1-Y5 PolarHBondContact O-N 2.89Å |
| 2 | M | 70.6 | Confident | 82.8 | Confident | 109 Ų | 109 | 101.7 Ų | 101.7 | 54% | 0.537 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59 | -46.2 | -173.4 | -171.2 | -172.5 | -170.5 | 0 | 0 | 113.3 | Y5 I6 F66 L70 | M2-Y5 PolarHBondContact O-N 3.34Å; M2-I6 HydrophobicContact CG-CD1 4.22Å; M2-I6 WeakPolarHBondContact O-CG1 3.48Å; M2-I6 PolarHBondContact O-N 3.2Å; M2-I6 VanDerWaalsContact O-N 3.14Å; M2-F66 HydrophobicContact CE-CE1 4.04Å; M2-L70 HydrophobicContact CE-CD1 4.05Å |
| 3 | L | 82.7 | Confident | 83.1 | Confident | 138 Ų | 138 | 97.5 Ų | 97.5 | 72% | 0.723 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.2 | -38 | 176.7 | -65.7 | 174.7 | 0 | 0 | 0 | 112.1 | M1 I6 A7 | M1-L3 PolarHBondContact O-N 3.47Å; L3-I6 PolarHBondContact O-N 2.64Å; L3-A7 WeakPolarHBondContact O-CB 3.37Å; L3-A7 PolarHBondContact O-N 2.85Å |
| 4 | D | 84 | Confident | 83.4 | Confident | 98 Ų | 98 | 97.6 Ų | 97.6 | 52% | 0.524 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.3 | -41 | 178.8 | -38.4 | -73.2 | 0 | 0 | 0 | 111.1 | M1 A7 T8 | M1-D4 VanDerWaalsContact C-OD2 3.3Å; M1-D4 WeakPolarHBondContact CA-OD2 3.47Å; M1-D4 PolarHBondContact N-OD2 3.49Å; M1-D4 PolarHBondContact O-N 3.5Å; D4-A7 PolarHBondContact O-N 3.09Å; D4-T8 WeakPolarHBondContact O-CG2 3.47Å; D4-T8 PolarHBondContact O-N 3.18Å; D4-T8 PolarHBondContact O-OG1 3.46Å |
| 5 | Y | 84.1 | Confident | 83.9 | Confident | 127 Ų | 127 | 98.1 Ų | 98.1 | 50% | 0.498 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 175.2 | -177.9 | -115.2 | 0 | 0 | 0 | 111.6 | M1 M2 A7 T8 I9 F66 | M1-Y5 PolarHBondContact O-N 2.89Å; M2-Y5 PolarHBondContact O-N 3.34Å; Y5-A7 VanDerWaalsContact C-N 3.34Å; Y5-A7 PolarHBondContact O-N 3.26Å; Y5-T8 WeakPolarHBondContact CA-OG1 3.49Å; Y5-T8 PolarHBondContact O-N 3.27Å; Y5-T8 PolarHBondContact O-OG1 2.57Å; Y5-I9 HydrophobicContact CD1-CD1 4.05Å; Y5-I9 HydrophobicContact CE1-CD1 3.6Å; Y5-I9 HydrophobicContact CE2-CD1 4.29Å; Y5-I9 WeakPolarHBondContact O-CG1 3.35Å; Y5-I9 PolarHBondContact O-N 3.35Å; Y5-I9 VanDerWaalsContact O-N 3.07Å; Y5-F66 HydrophobicContact CD1-CZ 4.44Å; Y5-F66 HydrophobicContact CE1-CE2 4.22Å |
| 6 | I | 81.3 | Confident | 84.1 | Confident | 66 Ų | 66 | 96.6 Ų | 96.6 | 34% | 0.338 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 174.7 | -68.8 | 167.2 | 0 | 0 | 0 | 110.7 | M2 L3 I9 F10 | M2-I6 HydrophobicContact CG-CD1 4.22Å; M2-I6 WeakPolarHBondContact O-CG1 3.48Å; M2-I6 PolarHBondContact O-N 3.2Å; M2-I6 VanDerWaalsContact O-N 3.14Å; L3-I6 PolarHBondContact O-N 2.64Å; I6-I9 PolarHBondContact O-N 3.49Å; I6-F10 HydrophobicContact CG2-CD2 3.71Å; I6-F10 HydrophobicContact CG2-CE2 3.59Å; I6-F10 VanDerWaalsContact O-CD2 3.27Å; I6-F10 WeakPolarHBondContact O-CD2 3.33Å; I6-F10 PolarHBondContact O-N 2.85Å |
| 7 | A | 82.2 | Confident | 84.3 | Confident | 57 Ų | 57 | 96.1 Ų | 96.1 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L3 D4 Y5 F10 E11 | L3-A7 WeakPolarHBondContact O-CB 3.37Å; L3-A7 PolarHBondContact O-N 2.85Å; D4-A7 PolarHBondContact O-N 3.09Å; Y5-A7 VanDerWaalsContact C-N 3.34Å; Y5-A7 PolarHBondContact O-N 3.26Å; A7-F10 PolarHBondContact O-N 3.01Å; A7-E11 PolarHBondContact O-N 3.38Å |
| 8 | T | 86.7 | Confident | 84.5 | Confident | 77 Ų | 77 | 98.3 Ų | 98.3 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 175.7 | 50 | 0 | 0 | 0 | 0 | 112.6 | D4 Y5 E11 D12 | D4-T8 WeakPolarHBondContact O-CG2 3.47Å; D4-T8 PolarHBondContact O-N 3.18Å; D4-T8 PolarHBondContact O-OG1 3.46Å; Y5-T8 WeakPolarHBondContact CA-OG1 3.49Å; Y5-T8 PolarHBondContact O-N 3.27Å; Y5-T8 PolarHBondContact O-OG1 2.57Å; T8-E11 PolarHBondContact O-N 3.05Å; T8-D12 PolarHBondContact O-N 3.22Å |
| 9 | I | 85.1 | Confident | 84.7 | Confident | 62 Ų | 62 | 99.3 Ų | 99.3 | 32% | 0.318 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.1 | -48.3 | 173.6 | -68.6 | 168.7 | 0 | 0 | 0 | 110.4 | Y5 I6 E11 D12 D13 | Y5-I9 HydrophobicContact CD1-CD1 4.05Å; Y5-I9 HydrophobicContact CE1-CD1 3.6Å; Y5-I9 HydrophobicContact CE2-CD1 4.29Å; Y5-I9 WeakPolarHBondContact O-CG1 3.35Å; Y5-I9 PolarHBondContact O-N 3.35Å; Y5-I9 VanDerWaalsContact O-N 3.07Å; I6-I9 PolarHBondContact O-N 3.49Å; I9-E11 PolarHBondContact O-N 3.42Å; I9-D12 PolarHBondContact O-N 3.01Å; I9-D13 WeakPolarHBondContact O-CB 3.36Å; I9-D13 PolarHBondContact O-N 2.81Å |
| 10 | F | 85.3 | Confident | 84.8 | Confident | 131 Ų | 131 | 98.6 Ų | 98.6 | 58% | 0.575 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.1 | -36.6 | 179.4 | -82.2 | -60.7 | 0 | 0 | 0 | 113.2 | I6 A7 K14 | I6-F10 HydrophobicContact CG2-CD2 3.71Å; I6-F10 HydrophobicContact CG2-CE2 3.59Å; I6-F10 VanDerWaalsContact O-CD2 3.27Å; I6-F10 WeakPolarHBondContact O-CD2 3.33Å; I6-F10 PolarHBondContact O-N 2.85Å; A7-F10 PolarHBondContact O-N 3.01Å; F10-K14 WeakPolarHBondContact O-CB 3.39Å; F10-K14 PolarHBondContact O-N 2.72Å |
| 11 | E | 87.6 | Confident | 84.9 | Confident | 75 Ų | 75 | 100.5 Ų | 100.5 | 35% | 0.35 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -74.1 | -30.5 | 178.2 | -163.1 | 61 | -139.9 | 0 | 0 | 112.3 | A7 T8 I9 K14 K15 | A7-E11 PolarHBondContact O-N 3.38Å; T8-E11 PolarHBondContact O-N 3.05Å; I9-E11 PolarHBondContact O-N 3.42Å; E11-K14 VanDerWaalsContact CD-NZ 3.28Å; E11-K14 WeakPolarHBondContact OE1-CD 3.41Å; E11-K14 VanDerWaalsContact OE1-CE 3.27Å; E11-K14 WeakPolarHBondContact OE1-CE 3.47Å; E11-K14 IonicContact OE1-NZ 3.18Å; E11-K14 PolarHBondContact OE1-NZ 2.86Å; E11-K14 WeakPolarHBondContact OE2-CD 3.37Å; E11-K14 IonicContact OE2-NZ 2.62Å; E11-K14 PolarHBondContact OE2-NZ 3.21Å; E11-K15 VanDerWaalsContact O-CG 3.28Å; E11-K15 WeakPolarHBondContact O-CG 3.38Å; E11-K15 PolarHBondContact O-N 3.15Å |
| 12 | D | 87.8 | Confident | 85.3 | Confident | 84 Ų | 84 | 93.9 Ų | 93.9 | 45% | 0.449 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -75.4 | -41 | 172.9 | -75.1 | -21.2 | 0 | 0 | 0 | 112.7 | T8 I9 K14 K15 T16 | T8-D12 PolarHBondContact O-N 3.22Å; I9-D12 PolarHBondContact O-N 3.01Å; D12-K14 PolarHBondContact O-N 3.1Å; D12-K15 WeakPolarHBondContact O-CB 3.46Å; D12-K15 PolarHBondContact O-N 3.1Å; D12-K15 VanDerWaalsContact O-N 3.14Å; D12-K15 WeakPolarHBondContact OD1-CD 3.39Å; D12-K15 WeakPolarHBondContact OD1-CE 3.5Å; D12-K15 IonicContact OD1-NZ 3.9Å; D12-K15 PolarHBondContact OD1-NZ 2.97Å; D12-T16 PolarHBondContact O-N 3.37Å; D12-T16 PolarHBondContact O-OG1 3.14Å |
| 13 | D | 86.5 | Confident | 86 | Confident | 48 Ų | 48 | 93.8 Ų | 93.8 | 26% | 0.257 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62 | -33.8 | 170.5 | -78.5 | -16.7 | 0 | 0 | 0 | 110.8 | I9 T16 L17 R62 | I9-D13 WeakPolarHBondContact O-CB 3.36Å; I9-D13 PolarHBondContact O-N 2.81Å; D13-T16 PolarHBondContact O-N 2.94Å; D13-T16 PolarHBondContact O-OG1 2.99Å; D13-L17 WeakPolarHBondContact O-CB 3.48Å; D13-L17 PolarHBondContact O-N 3.44Å; D13-R62 IonicContact OD2-NH1 3.9Å |
| 14 | K | 88.1 | Confident | 86 | Confident | 99 Ų | 99 | 91.1 Ų | 91.1 | 43% | 0.43 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -70.5 | -32.2 | 173 | 176.4 | 176.7 | 159.9 | -155.5 | 0 | 113.3 | F10 E11 D12 K18 | F10-K14 WeakPolarHBondContact O-CB 3.39Å; F10-K14 PolarHBondContact O-N 2.72Å; E11-K14 VanDerWaalsContact CD-NZ 3.28Å; E11-K14 WeakPolarHBondContact OE1-CD 3.41Å; E11-K14 VanDerWaalsContact OE1-CE 3.27Å; E11-K14 WeakPolarHBondContact OE1-CE 3.47Å; E11-K14 IonicContact OE1-NZ 3.18Å; E11-K14 PolarHBondContact OE1-NZ 2.86Å; E11-K14 WeakPolarHBondContact OE2-CD 3.37Å; E11-K14 IonicContact OE2-NZ 2.62Å; E11-K14 PolarHBondContact OE2-NZ 3.21Å; D12-K14 PolarHBondContact O-N 3.1Å; K14-K18 WeakPolarHBondContact O-CG 3.33Å; K14-K18 PolarHBondContact O-N 3.37Å; K14-K18 VanDerWaalsContact O-N 3.14Å |
| 15 | K | 90.3 | Very high | 85.9 | Confident | 104 Ų | 104 | 91.1 Ų | 91.1 | 45% | 0.452 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68 | -45.7 | 170.7 | -71.5 | 163.1 | -153.4 | 163.9 | 0 | 111.4 | E11 D12 L17 K18 L19 | E11-K15 VanDerWaalsContact O-CG 3.28Å; E11-K15 WeakPolarHBondContact O-CG 3.38Å; E11-K15 PolarHBondContact O-N 3.15Å; D12-K15 WeakPolarHBondContact O-CB 3.46Å; D12-K15 PolarHBondContact O-N 3.1Å; D12-K15 VanDerWaalsContact O-N 3.14Å; D12-K15 WeakPolarHBondContact OD1-CD 3.39Å; D12-K15 WeakPolarHBondContact OD1-CE 3.5Å; D12-K15 IonicContact OD1-NZ 3.9Å; D12-K15 PolarHBondContact OD1-NZ 2.97Å; K15-L17 PolarHBondContact O-N 3.11Å; K15-K18 WeakPolarHBondContact O-CB 3.35Å; K15-K18 PolarHBondContact O-N 3.38Å; K15-L19 PolarHBondContact O-N 3.49Å |
| 16 | T | 87.6 | Confident | 85.4 | Confident | 75 Ų | 75 | 91.2 Ų | 91.2 | 46% | 0.46 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.4 | -38.4 | 178.3 | 57.7 | 0 | 0 | 0 | 0 | 111.9 | D12 D13 K18 L19 L20 | D12-T16 PolarHBondContact O-N 3.37Å; D12-T16 PolarHBondContact O-OG1 3.14Å; D13-T16 PolarHBondContact O-N 2.94Å; D13-T16 PolarHBondContact O-OG1 2.99Å; T16-K18 VanDerWaalsContact C-N 3.33Å; T16-K18 PolarHBondContact O-N 3.4Å; T16-L19 PolarHBondContact O-N 3.37Å; T16-L20 WeakPolarHBondContact O-CG 3.21Å; T16-L20 PolarHBondContact O-N 3.45Å |
| 17 | L | 86.3 | Confident | 85.1 | Confident | 87 Ų | 87 | 95.2 Ų | 95.2 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.4 | -36.6 | 172.3 | -167.7 | 72.8 | 0 | 0 | 0 | 112.8 | D13 K15 K21 | D13-L17 WeakPolarHBondContact O-CB 3.48Å; D13-L17 PolarHBondContact O-N 3.44Å; K15-L17 PolarHBondContact O-N 3.11Å; L17-K21 WeakPolarHBondContact O-CG 3.41Å; L17-K21 PolarHBondContact O-N 3.2Å; L17-K21 VanDerWaalsContact O-N 3.11Å |
| 18 | K | 89 | Confident | 84.7 | Confident | 137 Ų | 137 | 99 Ų | 99 | 60% | 0.596 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.6 | -41.2 | 173.3 | -79.7 | 177.4 | 174.9 | -176.2 | 0 | 112.2 | K14 K15 T16 K21 A22 | K14-K18 WeakPolarHBondContact O-CG 3.33Å; K14-K18 PolarHBondContact O-N 3.37Å; K14-K18 VanDerWaalsContact O-N 3.14Å; K15-K18 WeakPolarHBondContact O-CB 3.35Å; K15-K18 PolarHBondContact O-N 3.38Å; T16-K18 VanDerWaalsContact C-N 3.33Å; T16-K18 PolarHBondContact O-N 3.4Å; K18-K21 PolarHBondContact O-N 2.99Å; K18-A22 PolarHBondContact O-N 2.89Å |
| 19 | L | 87.3 | Confident | 83.9 | Confident | 117 Ų | 117 | 102.3 Ų | 102.3 | 61% | 0.613 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.8 | -47.3 | 176.9 | -71.6 | 169.3 | 0 | 0 | 0 | 111.7 | K15 T16 K21 A22 E23 | K15-L19 PolarHBondContact O-N 3.49Å; T16-L19 PolarHBondContact O-N 3.37Å; L19-K21 VanDerWaalsContact C-N 3.32Å; L19-K21 PolarHBondContact O-N 2.98Å; L19-A22 WeakPolarHBondContact O-CB 3.36Å; L19-A22 PolarHBondContact O-N 3.5Å; L19-E23 PolarHBondContact O-N 3.37Å |
| 20 | L | 86.9 | Confident | 82.9 | Confident | 85 Ų | 85 | 106 Ų | 106 | 45% | 0.445 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.2 | -41.4 | 176.4 | -70.5 | 169.4 | 0 | 0 | 0 | 112.2 | T16 A22 E23 D24 | T16-L20 WeakPolarHBondContact O-CG 3.21Å; T16-L20 PolarHBondContact O-N 3.45Å; L20-A22 VanDerWaalsContact C-N 3.32Å; L20-A22 PolarHBondContact O-N 2.98Å; L20-E23 PolarHBondContact O-N 3.39Å; L20-D24 PolarHBondContact O-N 3.45Å |
| 21 | K | 88 | Confident | 82 | Confident | 139 Ų | 139 | 105.1 Ų | 105.1 | 60% | 0.604 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64 | -33.9 | 174 | -76.1 | -175.5 | 176.5 | -170 | 0 | 113 | L17 K18 L19 V25 | L17-K21 WeakPolarHBondContact O-CG 3.41Å; L17-K21 PolarHBondContact O-N 3.2Å; L17-K21 VanDerWaalsContact O-N 3.11Å; K18-K21 PolarHBondContact O-N 2.99Å; L19-K21 VanDerWaalsContact C-N 3.32Å; L19-K21 PolarHBondContact O-N 2.98Å; K21-V25 VanDerWaalsContact O-CG2 3.29Å; K21-V25 WeakPolarHBondContact O-CG2 3.39Å; K21-V25 PolarHBondContact O-N 2.94Å |
| 22 | A | 84.7 | Confident | 80.3 | Confident | 56 Ų | 56 | 105.6 Ų | 105.6 | 46% | 0.463 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.8 | -40.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K18 L19 L20 V25 H26 | K18-A22 PolarHBondContact O-N 2.89Å; L19-A22 WeakPolarHBondContact O-CB 3.36Å; L19-A22 PolarHBondContact O-N 3.5Å; L20-A22 VanDerWaalsContact C-N 3.32Å; L20-A22 PolarHBondContact O-N 2.98Å; A22-V25 PolarHBondContact O-N 3.01Å; A22-H26 PolarHBondContact O-N 3.38Å; A22-H26 VanDerWaalsContact O-N 3.11Å |
| 23 | E | 84.5 | Confident | 78.5 | Confident | 108 Ų | 108 | 109.8 Ų | 109.8 | 51% | 0.505 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.6 | -42.9 | 174.7 | -68.9 | -173.1 | 175.1 | 0 | 0 | 112.3 | L19 L20 H26 R27 | L19-E23 PolarHBondContact O-N 3.37Å; L20-E23 PolarHBondContact O-N 3.39Å; E23-H26 WeakPolarHBondContact O-CB 3.34Å; E23-H26 PolarHBondContact O-N 2.88Å; E23-R27 PolarHBondContact O-N 3.14Å |
| 24 | D | 83.1 | Confident | 76.4 | Confident | 82 Ų | 82 | 110.4 Ų | 110.4 | 44% | 0.439 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.7 | -33.7 | 177.1 | -87.9 | -11.2 | 0 | 0 | 0 | 113 | L20 H26 R27 K28 | L20-D24 PolarHBondContact O-N 3.45Å; D24-H26 VanDerWaalsContact C-N 3.31Å; D24-R27 PolarHBondContact O-N 3.48Å; D24-R27 IonicContact OD1-NH1 3.36Å; D24-R27 PolarHBondContact OD1-NH1 3.3Å; D24-K28 WeakPolarHBondContact O-CB 3.31Å; D24-K28 WeakPolarHBondContact O-CG 3.41Å; D24-K28 PolarHBondContact O-N 3.1Å |
| 25 | V | 81.1 | Confident | 74 | Confident | 97 Ų | 97 | 112.4 Ų | 112.4 | 59% | 0.588 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62.6 | -40.5 | 171.1 | 166 | 0 | 0 | 0 | 0 | 110.9 | K21 A22 K28 Q29 | K21-V25 VanDerWaalsContact O-CG2 3.29Å; K21-V25 WeakPolarHBondContact O-CG2 3.39Å; K21-V25 PolarHBondContact O-N 2.94Å; A22-V25 PolarHBondContact O-N 3.01Å; V25-K28 PolarHBondContact O-N 2.98Å; V25-Q29 PolarHBondContact O-N 2.86Å |
| 26 | H | 74.7 | Confident | 72.3 | Confident | 129 Ų | 129 | 114.1 Ų | 114.1 | 60% | 0.597 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.9 | -46.9 | 175.5 | -121.2 | -61.6 | 0 | 0 | 0 | 111.7 | A22 E23 D24 K28 Q29 | A22-H26 PolarHBondContact O-N 3.38Å; A22-H26 VanDerWaalsContact O-N 3.11Å; E23-H26 WeakPolarHBondContact O-CB 3.34Å; E23-H26 PolarHBondContact O-N 2.88Å; D24-H26 VanDerWaalsContact C-N 3.31Å; H26-K28 VanDerWaalsContact C-N 3.29Å; H26-K28 PolarHBondContact O-N 3.22Å; H26-Q29 PolarHBondContact O-N 3.33Å |
| 27 | R | 74.8 | Confident | 71 | Confident | 150 Ų | 150 | 114.4 Ų | 114.4 | 57% | 0.566 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -61.7 | -34.2 | 175.6 | -69.1 | 177.2 | -177.9 | 153.4 | 3.3 | 113.3 | E23 D24 Q29 D30 T31 | E23-R27 PolarHBondContact O-N 3.14Å; D24-R27 PolarHBondContact O-N 3.48Å; D24-R27 IonicContact OD1-NH1 3.36Å; D24-R27 PolarHBondContact OD1-NH1 3.3Å; R27-Q29 VanDerWaalsContact C-N 3.31Å; R27-Q29 PolarHBondContact O-N 2.9Å; R27-D30 PolarHBondContact O-N 3.39Å; R27-T31 PolarHBondContact O-OG1 3.4Å |
| 28 | K | 73.8 | Confident | 69.8 | Low | 137 Ų | 137 | 115.5 Ų | 115.5 | 60% | 0.596 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.6 | -24.4 | 178.7 | -76.8 | -174.4 | 178.1 | -163.1 | 0 | 113.1 | D24 V25 H26 | D24-K28 WeakPolarHBondContact O-CB 3.31Å; D24-K28 WeakPolarHBondContact O-CG 3.41Å; D24-K28 PolarHBondContact O-N 3.1Å; V25-K28 PolarHBondContact O-N 2.98Å; H26-K28 VanDerWaalsContact C-N 3.29Å; H26-K28 PolarHBondContact O-N 3.22Å |
| 29 | Q | 68.8 | Low | 68.1 | Low | 146 Ų | 146 | 113 Ų | 113 | 68% | 0.682 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70 | -36.2 | 171.4 | -74.3 | -169.2 | -36.9 | 0 | 0 | 112.8 | V25 H26 R27 T31 | V25-Q29 PolarHBondContact O-N 2.86Å; H26-Q29 PolarHBondContact O-N 3.33Å; R27-Q29 VanDerWaalsContact C-N 3.31Å; R27-Q29 PolarHBondContact O-N 2.9Å; Q29-T31 VanDerWaalsContact C-N 3.3Å; Q29-T31 PolarHBondContact O-N 3.05Å |
| 30 | D | 64.7 | Low | 67.5 | Low | 140 Ų | 140 | 109.4 Ų | 109.4 | 75% | 0.749 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -76.9 | -11 | -177.5 | -66.7 | -32 | 0 | 0 | 0 | 114.3 | R27 | R27-D30 PolarHBondContact O-N 3.39Å |
| 31 | T | 65.5 | Low | 66.8 | Low | 113 Ų | 113 | 109.9 Ų | 109.9 | 69% | 0.693 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | 23.5 | -167 | -36.7 | 0 | 0 | 0 | 0 | 114 | R27 Q29 L33 | R27-T31 PolarHBondContact O-OG1 3.4Å; Q29-T31 VanDerWaalsContact C-N 3.3Å; Q29-T31 PolarHBondContact O-N 3.05Å; T31-L33 PolarHBondContact O-N 3.27Å; T31-L33 VanDerWaalsContact O-N 3.07Å |
| 32 | A | 53.6 | Low | 66.2 | Low | 84 Ų | 84 | 109.1 Ų | 109.1 | 69% | 0.694 | 62% | 0.622 | S | S | * | * | | | trans | -85.1 | 67.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 33 | L | 48.2 | Very low | 66.1 | Low | 173 Ų | 173 | 113.5 Ų | 113.5 | 91% | 0.906 | 63% | 0.631 | S | S | * | * | | | trans | -141.4 | 121.5 | 170.3 | -76.7 | 176.5 | 0 | 0 | 0 | 113.8 | T31 | T31-L33 PolarHBondContact O-N 3.27Å; T31-L33 VanDerWaalsContact O-N 3.07Å |
| 34 | G | 42.5 | Very low | 66 | Low | 61 Ų | 61 | 113 Ų | 113 | 63% | 0.629 | 63% | 0.629 | S | S | * | * | | | trans | 84.6 | 82.7 | 147.9 | 0 | 0 | 0 | 0 | 0 | 120 | I36 | G34-I36 PolarHBondContact O-N 3.34Š|
| 35 | C | 39.2 | Very low | 66.1 | Low | 141 Ų | 141 | 113.1 Ų | 113.1 | 95% | 0.953 | 63% | 0.632 | S | S | * | * | | | trans | 44.2 | 45.5 | 134.3 | -58 | 0 | 0 | 0 | 0 | 121.5 | | |
| 36 | I | 55 | Low | 66.2 | Low | 140 Ų | 140 | 114 Ų | 114 | 72% | 0.718 | 63% | 0.63 | S | S | * | * | | | trans | -129 | 53.9 | 166.2 | -44.2 | 179.1 | 0 | 0 | 0 | 111.3 | G34 | G34-I36 PolarHBondContact O-N 3.34Š|
| 37 | S | 60.3 | Low | 66.7 | Low | 81 Ų | 81 | 113.2 Ų | 113.2 | 57% | 0.566 | 63% | 0.629 | S | S | * | * | | | trans | -80.4 | -46.8 | -163.2 | -162 | 0 | 0 | 0 | 0 | 115.8 | A40 L41 | S37-A40 PolarHBondContact O-N 3.34Å; S37-L41 WeakPolarHBondContact O-CG 3.44Å; S37-L41 PolarHBondContact O-N 3.36Å |
| 38 | T | 60.3 | Low | 67.2 | Low | 109 Ų | 109 | 109.2 Ų | 109.2 | 67% | 0.669 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.3 | -45.2 | -168 | 47.4 | 0 | 0 | 0 | 0 | 114 | A40 L41 L42 | T38-A40 VanDerWaalsContact C-N 3.26Å; T38-A40 PolarHBondContact O-N 2.93Å; T38-L41 PolarHBondContact O-N 2.96Å; T38-L42 PolarHBondContact O-N 2.88Å |
| 39 | C | 53.7 | Low | 67.8 | Low | 85 Ų | 85 | 107.1 Ų | 107.1 | 57% | 0.574 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72 | -17.9 | 177.5 | -61.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 40 | A | 74.4 | Confident | 68.8 | Low | 41 Ų | 41 | 105.5 Ų | 105.5 | 34% | 0.339 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -74 | -51 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | S37 T38 L42 K43 E44 | S37-A40 PolarHBondContact O-N 3.34Å; T38-A40 VanDerWaalsContact C-N 3.26Å; T38-A40 PolarHBondContact O-N 2.93Å; A40-L42 VanDerWaalsContact C-N 3.31Å; A40-L42 PolarHBondContact O-N 3.41Å; A40-K43 WeakPolarHBondContact O-CA 3.23Å; A40-K43 WeakPolarHBondContact O-CB 3.39Å; A40-K43 PolarHBondContact O-N 3.44Å; A40-E44 PolarHBondContact O-N 3.26Å |
| 41 | L | 72.6 | Confident | 70 | Confident | 95 Ų | 95 | 105.4 Ų | 105.4 | 50% | 0.497 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -55.4 | -41.2 | 179.9 | -70.7 | 168.2 | 0 | 0 | 0 | 113.1 | S37 T38 K43 E44 T45 | S37-L41 WeakPolarHBondContact O-CG 3.44Å; S37-L41 PolarHBondContact O-N 3.36Å; T38-L41 PolarHBondContact O-N 2.96Å; L41-K43 VanDerWaalsContact C-N 3.29Å; L41-K43 PolarHBondContact O-N 2.93Å; L41-E44 PolarHBondContact O-N 3.5Å; L41-T45 PolarHBondContact O-N 3.23Å; L41-T45 PolarHBondContact O-OG1 3.3Å |
| 42 | L | 75.4 | Confident | 71 | Confident | 123 Ų | 123 | 105.4 Ų | 105.4 | 64% | 0.644 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.3 | -28.1 | 176 | -74.4 | 171.2 | 0 | 0 | 0 | 113.9 | T38 A40 T45 E46 | T38-L42 PolarHBondContact O-N 2.88Å; A40-L42 VanDerWaalsContact C-N 3.31Å; A40-L42 PolarHBondContact O-N 3.41Å; L42-T45 PolarHBondContact O-OG1 2.98Å; L42-T45 VanDerWaalsContact O-OG1 3.14Å; L42-E46 PolarHBondContact O-N 3.04Å |
| 43 | K | 82.4 | Confident | 72.5 | Confident | 149 Ų | 149 | 104 Ų | 104 | 65% | 0.648 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -80.5 | -35.1 | 173 | -71.2 | 178.9 | 178.2 | 177.2 | 0 | 111.6 | A40 L41 L47 | A40-K43 WeakPolarHBondContact O-CA 3.23Å; A40-K43 WeakPolarHBondContact O-CB 3.39Å; A40-K43 PolarHBondContact O-N 3.44Å; L41-K43 VanDerWaalsContact C-N 3.29Å; L41-K43 PolarHBondContact O-N 2.93Å; K43-L47 WeakPolarHBondContact O-CB 3.31Å; K43-L47 WeakPolarHBondContact O-CG 3.48Å; K43-L47 PolarHBondContact O-N 3.02Å |
| 44 | E | 82 | Confident | 74.5 | Confident | 98 Ų | 98 | 98.8 Ų | 98.8 | 46% | 0.458 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64 | -41 | 174.1 | -70.6 | -173.5 | -167.1 | 0 | 0 | 111.7 | A40 L41 L47 C48 | A40-E44 PolarHBondContact O-N 3.26Å; L41-E44 PolarHBondContact O-N 3.5Å; E44-L47 PolarHBondContact O-N 3.04Å; E44-C48 VanDerWaalsContact O-CB 3.28Å; E44-C48 WeakPolarHBondContact O-CB 3.32Å; E44-C48 PolarHBondContact O-N 3.28Å |
| 45 | T | 84.6 | Confident | 76.6 | Confident | 83 Ų | 83 | 100.2 Ų | 100.2 | 51% | 0.509 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.1 | -42.7 | 175.8 | 55.1 | 0 | 0 | 0 | 0 | 112.4 | L41 L42 L47 C48 V49 | L41-T45 PolarHBondContact O-N 3.23Å; L41-T45 PolarHBondContact O-OG1 3.3Å; L42-T45 PolarHBondContact O-OG1 2.98Å; L42-T45 VanDerWaalsContact O-OG1 3.14Å; T45-L47 VanDerWaalsContact C-N 3.34Å; T45-L47 PolarHBondContact O-N 3.16Å; T45-C48 PolarHBondContact O-N 3.48Å; T45-V49 WeakPolarHBondContact O-CG2 3.41Å; T45-V49 PolarHBondContact O-N 3.22Å |
| 46 | E | 82.9 | Confident | 79 | Confident | 115 Ų | 115 | 96.4 Ų | 96.4 | 54% | 0.537 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.4 | -44.1 | 172.1 | -88.6 | -153.6 | 177.3 | 0 | 0 | 112.5 | L42 V49 K50 | L42-E46 PolarHBondContact O-N 3.04Å; E46-V49 PolarHBondContact O-N 3.44Å; E46-K50 WeakPolarHBondContact O-CB 3.31Å; E46-K50 WeakPolarHBondContact O-CD 3.45Å; E46-K50 WeakPolarHBondContact O-CG 3.48Å; E46-K50 PolarHBondContact O-N 3Å; E46-K50 IonicContact OE2-NZ 2.57Å; E46-K50 PolarHBondContact OE2-NZ 3.16Å |
| 47 | L | 86.8 | Confident | 80.5 | Confident | 113 Ų | 113 | 97.6 Ų | 97.6 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.7 | -41.7 | 177.6 | -79.4 | 164.9 | 0 | 0 | 0 | 111.5 | K43 E44 T45 K50 Y51 | K43-L47 WeakPolarHBondContact O-CB 3.31Å; K43-L47 WeakPolarHBondContact O-CG 3.48Å; K43-L47 PolarHBondContact O-N 3.02Å; E44-L47 PolarHBondContact O-N 3.04Å; T45-L47 VanDerWaalsContact C-N 3.34Å; T45-L47 PolarHBondContact O-N 3.16Å; L47-K50 PolarHBondContact O-N 3.22Å; L47-Y51 WeakPolarHBondContact O-CB 3.5Å; L47-Y51 PolarHBondContact O-N 3.07Å |
| 48 | C | 84.9 | Confident | 82 | Confident | 66 Ų | 66 | 97.5 Ų | 97.5 | 45% | 0.446 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 175.9 | -170.7 | 0 | 0 | 0 | 0 | 111.8 | E44 T45 Y51 H52 | E44-C48 VanDerWaalsContact O-CB 3.28Å; E44-C48 WeakPolarHBondContact O-CB 3.32Å; E44-C48 PolarHBondContact O-N 3.28Å; T45-C48 PolarHBondContact O-N 3.48Å; C48-Y51 PolarHBondContact O-N 2.96Å; C48-H52 PolarHBondContact O-CD2 3.46Å; C48-H52 PolarHBondContact O-N 3.41Å |
| 49 | V | 86.4 | Confident | 83.4 | Confident | 94 Ų | 94 | 94.2 Ų | 94.2 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.8 | -44.4 | 176.1 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | T45 E46 Y51 H52 V53 | T45-V49 WeakPolarHBondContact O-CG2 3.41Å; T45-V49 PolarHBondContact O-N 3.22Å; E46-V49 PolarHBondContact O-N 3.44Å; V49-Y51 VanDerWaalsContact C-N 3.31Å; V49-Y51 PolarHBondContact O-N 3.07Å; V49-H52 PolarHBondContact O-N 3.27Å; V49-V53 HydrophobicContact CG1-CG2 4.41Å; V49-V53 WeakPolarHBondContact O-CG2 3.37Å; V49-V53 PolarHBondContact O-N 3.44Å |
| 50 | K | 88.9 | Confident | 85.1 | Confident | 111 Ų | 111 | 92.6 Ų | 92.6 | 48% | 0.483 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.6 | -38.1 | 176.4 | -72.6 | 162.2 | -172.9 | 166.5 | 0 | 112.1 | E46 L47 S54 | E46-K50 WeakPolarHBondContact O-CB 3.31Å; E46-K50 WeakPolarHBondContact O-CD 3.45Å; E46-K50 WeakPolarHBondContact O-CG 3.48Å; E46-K50 PolarHBondContact O-N 3Å; E46-K50 IonicContact OE2-NZ 2.57Å; E46-K50 PolarHBondContact OE2-NZ 3.16Å; L47-K50 PolarHBondContact O-N 3.22Å; K50-S54 WeakPolarHBondContact O-CB 3.47Å; K50-S54 PolarHBondContact O-N 3.34Å; K50-S54 VanDerWaalsContact O-N 3.15Å; K50-S54 PolarHBondContact O-OG 3.35Å |
| 51 | Y | 89.6 | Confident | 85.8 | Confident | 138 Ų | 138 | 94.5 Ų | 94.5 | 54% | 0.541 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.2 | -49 | 174.4 | -168.3 | -95.1 | 0 | 0 | 0 | 112 | L47 C48 V49 V53 S54 F55 | L47-Y51 WeakPolarHBondContact O-CB 3.5Å; L47-Y51 PolarHBondContact O-N 3.07Å; C48-Y51 PolarHBondContact O-N 2.96Å; V49-Y51 VanDerWaalsContact C-N 3.31Å; V49-Y51 PolarHBondContact O-N 3.07Å; Y51-V53 PolarHBondContact O-N 2.84Å; Y51-S54 WeakPolarHBondContact O-CB 3.28Å; Y51-S54 PolarHBondContact O-N 2.82Å; Y51-S54 VanDerWaalsContact O-N 3.11Å; Y51-F55 WeakPolarHBondContact O-CB 3.38Å; Y51-F55 PolarHBondContact O-N 2.88Å |
| 52 | H | 87.1 | Confident | 86.7 | Confident | 114 Ų | 114 | 97 Ų | 97 | 53% | 0.528 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.9 | -44 | 177.2 | -89.7 | -80.7 | 0 | 0 | 0 | 113 | C48 V49 S54 F55 V56 | C48-H52 PolarHBondContact O-CD2 3.46Å; C48-H52 PolarHBondContact O-N 3.41Å; V49-H52 PolarHBondContact O-N 3.27Å; H52-S54 VanDerWaalsContact C-N 3.27Å; H52-S54 PolarHBondContact O-N 3.34Å; H52-F55 PolarHBondContact O-N 3.44Å; H52-V56 WeakPolarHBondContact O-CG2 3.46Å; H52-V56 PolarHBondContact O-N 3.03Å |
| 53 | V | 86 | Confident | 87.4 | Confident | 53 Ų | 53 | 94.5 Ų | 94.5 | 32% | 0.321 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.9 | -35.5 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | V49 Y51 R57 | V49-V53 HydrophobicContact CG1-CG2 4.41Å; V49-V53 WeakPolarHBondContact O-CG2 3.37Å; V49-V53 PolarHBondContact O-N 3.44Å; Y51-V53 PolarHBondContact O-N 2.84Å; V53-R57 VanDerWaalsContact O-CG 3.31Å; V53-R57 WeakPolarHBondContact O-CG 3.33Å; V53-R57 PolarHBondContact O-N 3.15Å; V53-R57 VanDerWaalsContact O-N 3.15Å |
| 54 | S | 89.1 | Confident | 87.7 | Confident | 64 Ų | 64 | 89.7 Ų | 89.7 | 45% | 0.448 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -71.8 | -42.7 | 177.1 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | K50 Y51 H52 R57 V58 | K50-S54 WeakPolarHBondContact O-CB 3.47Å; K50-S54 PolarHBondContact O-N 3.34Å; K50-S54 VanDerWaalsContact O-N 3.15Å; K50-S54 PolarHBondContact O-OG 3.35Å; Y51-S54 WeakPolarHBondContact O-CB 3.28Å; Y51-S54 PolarHBondContact O-N 2.82Å; Y51-S54 VanDerWaalsContact O-N 3.11Å; H52-S54 VanDerWaalsContact C-N 3.27Å; H52-S54 PolarHBondContact O-N 3.34Å; S54-R57 PolarHBondContact O-N 2.91Å; S54-V58 WeakPolarHBondContact O-CG2 3.4Å; S54-V58 PolarHBondContact O-N 2.87Å |
| 55 | F | 86.9 | Confident | 88.2 | Confident | 92 Ų | 92 | 87.7 Ų | 87.7 | 40% | 0.404 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 174.4 | -180 | -95 | 0 | 0 | 0 | 111.7 | Y51 H52 R57 V58 A59 | Y51-F55 WeakPolarHBondContact O-CB 3.38Å; Y51-F55 PolarHBondContact O-N 2.88Å; H52-F55 PolarHBondContact O-N 3.44Å; F55-R57 VanDerWaalsContact C-N 3.32Å; F55-R57 PolarHBondContact O-N 3.42Å; F55-V58 PolarHBondContact O-N 3.41Å; F55-V58 VanDerWaalsContact O-N 3.16Å; F55-A59 WeakPolarHBondContact O-CB 3.47Å; F55-A59 PolarHBondContact O-N 3.16Å |
| 56 | V | 89.3 | Confident | 88.4 | Confident | 60 Ų | 60 | 87.1 Ų | 87.1 | 36% | 0.364 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.9 | -40.6 | 176.2 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | H52 A59 L60 F97 | H52-V56 WeakPolarHBondContact O-CG2 3.46Å; H52-V56 PolarHBondContact O-N 3.03Å; V56-A59 PolarHBondContact O-N 3.38Å; V56-L60 HydrophobicContact CG1-CD1 3.91Å; V56-L60 HydrophobicContact CG1-CG 4.32Å; V56-L60 WeakPolarHBondContact O-CB 3.4Å; V56-L60 VanDerWaalsContact O-CG 3.28Å; V56-L60 WeakPolarHBondContact O-CG 3.44Å; V56-L60 PolarHBondContact O-N 3.26Å; V56-F97 HydrophobicContact CG1-CZ 4.08Å |
| 57 | R | 87.7 | Confident | 88.8 | Confident | 165 Ų | 165 | 82.9 Ų | 82.9 | 62% | 0.623 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.1 | -41.5 | 174.9 | -75 | 171.5 | 177 | 179.7 | -0.2 | 112.8 | V53 S54 F55 S61 | V53-R57 VanDerWaalsContact O-CG 3.31Å; V53-R57 WeakPolarHBondContact O-CG 3.33Å; V53-R57 PolarHBondContact O-N 3.15Å; V53-R57 VanDerWaalsContact O-N 3.15Å; S54-R57 PolarHBondContact O-N 2.91Å; F55-R57 VanDerWaalsContact C-N 3.32Å; F55-R57 PolarHBondContact O-N 3.42Å; R57-S61 WeakPolarHBondContact O-CB 3.43Å; R57-S61 PolarHBondContact O-N 2.93Å |
| 58 | V | 90.8 | Very high | 89 | Confident | 80 Ų | 80 | 84.3 Ų | 84.3 | 49% | 0.485 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67 | -42.9 | 176.5 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | S54 F55 S61 R62 | S54-V58 WeakPolarHBondContact O-CG2 3.4Å; S54-V58 PolarHBondContact O-N 2.87Å; F55-V58 PolarHBondContact O-N 3.41Å; F55-V58 VanDerWaalsContact O-N 3.16Å; V58-S61 PolarHBondContact O-N 2.94Å; V58-R62 WeakPolarHBondContact O-CG 3.43Å; V58-R62 PolarHBondContact O-N 2.95Å |
| 59 | A | 89.3 | Confident | 89.4 | Confident | 39 Ų | 39 | 85.8 Ų | 85.8 | 32% | 0.322 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.1 | -48 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | F55 V56 S61 R62 V63 | F55-A59 WeakPolarHBondContact O-CB 3.47Å; F55-A59 PolarHBondContact O-N 3.16Å; V56-A59 PolarHBondContact O-N 3.38Å; A59-S61 VanDerWaalsContact C-N 3.32Å; A59-S61 PolarHBondContact O-N 2.88Å; A59-R62 PolarHBondContact O-N 3.4Å; A59-V63 WeakPolarHBondContact O-CG2 3.36Å; A59-V63 PolarHBondContact O-N 3.46Å |
| 60 | L | 89.3 | Confident | 89.7 | Confident | 51 Ų | 51 | 83.8 Ų | 83.8 | 27% | 0.267 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.9 | -37.5 | 175.7 | -71.9 | 175.4 | 0 | 0 | 0 | 112.4 | V56 V63 A64 I93 F97 | V56-L60 HydrophobicContact CG1-CD1 3.91Å; V56-L60 HydrophobicContact CG1-CG 4.32Å; V56-L60 WeakPolarHBondContact O-CB 3.4Å; V56-L60 VanDerWaalsContact O-CG 3.28Å; V56-L60 WeakPolarHBondContact O-CG 3.44Å; V56-L60 PolarHBondContact O-N 3.26Å; L60-V63 PolarHBondContact O-N 2.83Å; L60-A64 WeakPolarHBondContact O-CB 3.19Å; L60-A64 PolarHBondContact O-N 3.42Å; L60-I93 HydrophobicContact CD1-CG2 4.17Å; L60-I93 HydrophobicContact CD2-CD1 3.62Å; L60-I93 HydrophobicContact CD2-CG1 4.47Å; L60-F97 HydrophobicContact CD1-CE2 4.04Å; L60-F97 HydrophobicContact CD1-CZ 4.44Å |
| 61 | S | 90.1 | Very high | 89.8 | Confident | 82 Ų | 82 | 79.9 Ų | 79.9 | 57% | 0.573 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.2 | -41.3 | 174.8 | -178.5 | 0 | 0 | 0 | 0 | 112.5 | R57 V58 A59 A64 A65 | R57-S61 WeakPolarHBondContact O-CB 3.43Å; R57-S61 PolarHBondContact O-N 2.93Å; V58-S61 PolarHBondContact O-N 2.94Å; A59-S61 VanDerWaalsContact C-N 3.32Å; A59-S61 PolarHBondContact O-N 2.88Å; S61-A64 PolarHBondContact O-N 2.91Å; S61-A65 PolarHBondContact O-N 3.39Å |
| 62 | R | 91 | Very high | 90.1 | Very high | 148 Ų | 148 | 75.6 Ų | 75.6 | 56% | 0.558 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.5 | -44.3 | 172.8 | -73.3 | 177.8 | 174.3 | 179.3 | -2.1 | 111.8 | D13 V58 A59 A65 F66 | D13-R62 IonicContact OD2-NH1 3.9Å; V58-R62 WeakPolarHBondContact O-CG 3.43Å; V58-R62 PolarHBondContact O-N 2.95Å; A59-R62 PolarHBondContact O-N 3.4Å; R62-A65 PolarHBondContact O-N 2.85Å; R62-F66 WeakPolarHBondContact O-CB 3.28Å; R62-F66 PolarHBondContact O-N 3.25Å |
| 63 | V | 90.1 | Very high | 90.3 | Very high | 69 Ų | 69 | 80.7 Ų | 80.7 | 42% | 0.418 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 176.6 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | A59 L60 A65 F66 V67 F89 | A59-V63 WeakPolarHBondContact O-CG2 3.36Å; A59-V63 PolarHBondContact O-N 3.46Å; L60-V63 PolarHBondContact O-N 2.83Å; V63-A65 PolarHBondContact O-N 3.18Å; V63-F66 PolarHBondContact O-N 3.33Å; V63-V67 HydrophobicContact CG1-CG2 4.43Å; V63-V67 WeakPolarHBondContact O-CG2 3.33Å; V63-V67 PolarHBondContact O-N 3.19Å; V63-F89 HydrophobicContact CG1-CE1 4.48Å |
| 64 | A | 88.6 | Confident | 90.6 | Very high | 48 Ų | 48 | 79.5 Ų | 79.5 | 40% | 0.397 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L60 S61 F66 V67 Q68 | L60-A64 WeakPolarHBondContact O-CB 3.19Å; L60-A64 PolarHBondContact O-N 3.42Å; S61-A64 PolarHBondContact O-N 2.91Å; A64-F66 PolarHBondContact O-N 3.23Å; A64-V67 PolarHBondContact O-N 3.34Å; A64-Q68 WeakPolarHBondContact O-CG 3.37Å; A64-Q68 PolarHBondContact O-N 2.94Å |
| 65 | A | 91.9 | Very high | 90.9 | Very high | 57 Ų | 57 | 80.4 Ų | 80.4 | 47% | 0.471 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.7 | -39 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S61 R62 V63 Q68 L69 | S61-A65 PolarHBondContact O-N 3.39Å; R62-A65 PolarHBondContact O-N 2.85Å; V63-A65 PolarHBondContact O-N 3.18Å; A65-Q68 PolarHBondContact O-N 3.38Å; A65-L69 PolarHBondContact O-N 3.35Å |
| 66 | F | 89.9 | Confident | 91 | Very high | 70 Ų | 70 | 83 Ų | 83 | 31% | 0.307 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.3 | -39.7 | 176.5 | -174.7 | -112.1 | 0 | 0 | 0 | 112.6 | M2 Y5 R62 V63 A64 L69 L70 | M2-F66 HydrophobicContact CE-CE1 4.04Å; Y5-F66 HydrophobicContact CD1-CZ 4.44Å; Y5-F66 HydrophobicContact CE1-CE2 4.22Å; R62-F66 WeakPolarHBondContact O-CB 3.28Å; R62-F66 PolarHBondContact O-N 3.25Å; V63-F66 PolarHBondContact O-N 3.33Å; A64-F66 PolarHBondContact O-N 3.23Å; F66-L69 WeakPolarHBondContact O-CB 3.25Å; F66-L69 PolarHBondContact O-N 2.94Å; F66-L70 HydrophobicContact CD1-CD1 3.94Å; F66-L70 HydrophobicContact CE1-CD1 3.64Å; F66-L70 HydrophobicContact CE1-CG 4.29Å; F66-L70 HydrophobicContact CZ-CD1 4.2Å; F66-L70 HydrophobicContact CZ-CG 4.43Å; F66-L70 PolarHBondContact O-N 3.26Å |
| 67 | V | 90.6 | Very high | 91 | Very high | 26 Ų | 26 | 83.9 Ų | 83.9 | 16% | 0.158 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -70.6 | -35 | 175.2 | 179.8 | 0 | 0 | 0 | 0 | 111.7 | V63 A64 L69 L70 L71 L86 | V63-V67 HydrophobicContact CG1-CG2 4.43Å; V63-V67 WeakPolarHBondContact O-CG2 3.33Å; V63-V67 PolarHBondContact O-N 3.19Å; A64-V67 PolarHBondContact O-N 3.34Å; V67-L69 VanDerWaalsContact C-N 3.29Å; V67-L69 PolarHBondContact O-N 3.29Å; V67-L70 PolarHBondContact O-N 2.94Å; V67-L71 HydrophobicContact CG1-CD1 4.12Å; V67-L71 HydrophobicContact CG1-CG 4.32Å; V67-L71 WeakPolarHBondContact O-CB 3.46Å; V67-L71 WeakPolarHBondContact O-CG 3.29Å; V67-L71 PolarHBondContact O-N 2.79Å; V67-L86 HydrophobicContact CG1-CD1 4.16Å |
| 68 | Q | 90.6 | Very high | 91.1 | Very high | 143 Ų | 143 | 80.5 Ų | 80.5 | 67% | 0.668 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -60.3 | -39.4 | 169.5 | -76 | 179.2 | -3.3 | 0 | 0 | 112 | A64 A65 G72 | A64-Q68 WeakPolarHBondContact O-CG 3.37Å; A64-Q68 PolarHBondContact O-N 2.94Å; A65-Q68 PolarHBondContact O-N 3.38Å; Q68-G72 PolarHBondContact O-N 3.48Å; Q68-G72 VanDerWaalsContact O-N 3.16Å |
| 69 | L | 93.7 | Very high | 91.1 | Very high | 98 Ų | 98 | 80.8 Ų | 80.8 | 51% | 0.513 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.7 | -45.2 | 174.5 | -167.4 | 151.2 | 0 | 0 | 0 | 111.3 | A65 F66 V67 L71 G72 W73 | A65-L69 PolarHBondContact O-N 3.35Å; F66-L69 WeakPolarHBondContact O-CB 3.25Å; F66-L69 PolarHBondContact O-N 2.94Å; V67-L69 VanDerWaalsContact C-N 3.29Å; V67-L69 PolarHBondContact O-N 3.29Å; L69-L71 PolarHBondContact O-N 2.86Å; L69-G72 WeakPolarHBondContact O-CA 3.45Å; L69-G72 PolarHBondContact O-N 2.81Å; L69-W73 PolarHBondContact O-N 2.97Å |
| 70 | L | 92.3 | Very high | 91.2 | Very high | 51 Ų | 51 | 87.5 Ų | 87.5 | 27% | 0.267 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 175.1 | -73.8 | 171 | 0 | 0 | 0 | 112.8 | M2 F66 V67 G72 W73 T74 | M2-L70 HydrophobicContact CE-CD1 4.05Å; F66-L70 HydrophobicContact CD1-CD1 3.94Å; F66-L70 HydrophobicContact CE1-CD1 3.64Å; F66-L70 HydrophobicContact CE1-CG 4.29Å; F66-L70 HydrophobicContact CZ-CD1 4.2Å; F66-L70 HydrophobicContact CZ-CG 4.43Å; F66-L70 PolarHBondContact O-N 3.26Å; V67-L70 PolarHBondContact O-N 2.94Å; L70-G72 PolarHBondContact O-N 3.38Å; L70-W73 PolarHBondContact O-N 3.38Å; L70-T74 PolarHBondContact O-N 3.39Å; L70-T74 PolarHBondContact O-OG1 3.28Å |
| 71 | L | 92.5 | Very high | 91.3 | Very high | 30 Ų | 30 | 93.1 Ų | 93.1 | 16% | 0.157 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -61.4 | -22.7 | 173.8 | -75.8 | 168.3 | 0 | 0 | 0 | 112.7 | V67 L69 R79 L82 E83 | V67-L71 HydrophobicContact CG1-CD1 4.12Å; V67-L71 HydrophobicContact CG1-CG 4.32Å; V67-L71 WeakPolarHBondContact O-CB 3.46Å; V67-L71 WeakPolarHBondContact O-CG 3.29Å; V67-L71 PolarHBondContact O-N 2.79Å; L69-L71 PolarHBondContact O-N 2.86Å; L71-R79 HydrophobicContact CD2-CB 4.39Å; L71-R79 HydrophobicContact CD2-CG 4.2Å; L71-R79 PolarHBondContact O-NE 3.49Å; L71-R79 PolarHBondContact O-NH1 3.07Å; L71-R79 PolarHBondContact O-NH2 3.39Å; L71-R79 VanDerWaalsContact O-NH2 3.07Å; L71-L82 HydrophobicContact CD2-CB 3.69Å; L71-L82 HydrophobicContact CD2-CD1 4.05Å; L71-E83 HydrophobicContact CD2-CG 4.43Å |
| 72 | G | 94.9 | Very high | 91.4 | Very high | 48 Ų | 48 | 90.8 Ų | 90.8 | 50% | 0.495 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.9 | -34.5 | 170 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q68 L69 L70 R79 | Q68-G72 PolarHBondContact O-N 3.48Å; Q68-G72 VanDerWaalsContact O-N 3.16Å; L69-G72 WeakPolarHBondContact O-CA 3.45Å; L69-G72 PolarHBondContact O-N 2.81Å; L70-G72 PolarHBondContact O-N 3.38Å; G72-R79 PolarHBondContact O-NH2 2.84Å |
| 73 | W | 92.5 | Very high | 91.5 | Very high | 221 Ų | 221 | 88.3 Ų | 88.3 | 84% | 0.837 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -96.4 | -26.4 | -171.7 | -72.8 | 58.5 | 0 | 0 | 0 | 114.1 | L69 L70 | L69-W73 PolarHBondContact O-N 2.97Å; L70-W73 PolarHBondContact O-N 3.38Å |
| 74 | T | 92.6 | Very high | 91.5 | Very high | 28 Ų | 28 | 91.4 Ų | 91.4 | 17% | 0.172 | 46% | 0.462 | C | S | . | . | S | Bend | trans | -78 | 155.5 | -176.8 | 50.4 | 0 | 0 | 0 | 0 | 113.7 | L70 E78 R79 L82 | L70-T74 PolarHBondContact O-N 3.39Å; L70-T74 PolarHBondContact O-OG1 3.28Å; T74-E78 HydrophobicContact CG2-CB 4.34Å; T74-R79 PolarHBondContact O-NE 3.39Å; T74-R79 PolarHBondContact O-NH2 3.21Å; T74-R79 VanDerWaalsContact O-NH2 3.16Å; T74-L82 HydrophobicContact CG2-CD1 3.82Å |
| 75 | T | 93.8 | Very high | 91.7 | Very high | 83 Ų | 83 | 92.1 Ų | 92.1 | 51% | 0.509 | 46% | 0.461 | S | S | . | . | | | trans | -71.8 | 161.7 | 179.9 | 66.8 | 0 | 0 | 0 | 0 | 112.1 | A77 E78 R79 | T75-A77 PolarHBondContact O-N 3.28Å; T75-A77 VanDerWaalsContact O-N 3.1Å; T75-E78 VanDerWaalsContact CB-OE2 3.28Å; T75-E78 WeakPolarHBondContact CB-OE2 3.48Å; T75-E78 WeakPolarHBondContact CG2-OE2 3.43Å; T75-E78 PolarHBondContact N-OE2 3.23Å; T75-E78 PolarHBondContact O-N 3.48Å; T75-E78 VanDerWaalsContact O-N 3.13Å; T75-E78 WeakPolarHBondContact OG1-CG 3.46Å; T75-E78 PolarHBondContact OG1-OE2 3.47Å; T75-R79 WeakPolarHBondContact O-CG 3.4Å; T75-R79 PolarHBondContact O-N 2.89Å |
| 76 | L | 90.4 | Very high | 91.7 | Very high | 147 Ų | 147 | 92.8 Ų | 92.8 | 77% | 0.77 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -58.4 | -24.3 | -178.7 | -85 | 164.7 | 0 | 0 | 0 | 114.8 | | |
| 77 | A | 87.4 | Confident | 91.8 | Very high | 78 Ų | 78 | 93.4 Ų | 93.4 | 65% | 0.645 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -76.8 | -48.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T75 R79 R80 | T75-A77 PolarHBondContact O-N 3.28Å; T75-A77 VanDerWaalsContact O-N 3.1Å; A77-R79 VanDerWaalsContact C-N 3.31Å; A77-R79 PolarHBondContact O-N 2.92Å; A77-R80 PolarHBondContact O-N 3.39Å |
| 78 | E | 90.7 | Very high | 91.9 | Very high | 94 Ų | 94 | 95 Ų | 95 | 44% | 0.439 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.1 | -34.5 | 178.2 | -66.1 | 164.2 | 128.6 | 0 | 0 | 112.3 | T74 T75 R80 W81 L82 | T74-E78 HydrophobicContact CG2-CB 4.34Å; T75-E78 VanDerWaalsContact CB-OE2 3.28Å; T75-E78 WeakPolarHBondContact CB-OE2 3.48Å; T75-E78 WeakPolarHBondContact CG2-OE2 3.43Å; T75-E78 PolarHBondContact N-OE2 3.23Å; T75-E78 PolarHBondContact O-N 3.48Å; T75-E78 VanDerWaalsContact O-N 3.13Å; T75-E78 WeakPolarHBondContact OG1-CG 3.46Å; T75-E78 PolarHBondContact OG1-OE2 3.47Å; E78-R80 VanDerWaalsContact C-N 3.33Å; E78-R80 PolarHBondContact O-N 2.9Å; E78-W81 PolarHBondContact O-N 3.37Å; E78-L82 WeakPolarHBondContact O-CG 3.47Å; E78-L82 PolarHBondContact O-N 2.95Å |
| 79 | R | 91.8 | Very high | 91.9 | Very high | 86 Ų | 86 | 92.8 Ų | 92.8 | 33% | 0.325 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -56.4 | -43.5 | 176.7 | -76.1 | 177.9 | -164.4 | -136 | -5 | 112.5 | L71 G72 T74 T75 A77 W81 L82 E83 | L71-R79 HydrophobicContact CD2-CB 4.39Å; L71-R79 HydrophobicContact CD2-CG 4.2Å; L71-R79 PolarHBondContact O-NE 3.49Å; L71-R79 PolarHBondContact O-NH1 3.07Å; L71-R79 PolarHBondContact O-NH2 3.39Å; L71-R79 VanDerWaalsContact O-NH2 3.07Å; G72-R79 PolarHBondContact O-NH2 2.84Å; T74-R79 PolarHBondContact O-NE 3.39Å; T74-R79 PolarHBondContact O-NH2 3.21Å; T74-R79 VanDerWaalsContact O-NH2 3.16Å; T75-R79 WeakPolarHBondContact O-CG 3.4Å; T75-R79 PolarHBondContact O-N 2.89Å; A77-R79 VanDerWaalsContact C-N 3.31Å; A77-R79 PolarHBondContact O-N 2.92Å; R79-W81 PolarHBondContact O-N 3.23Å; R79-L82 PolarHBondContact O-N 2.99Å; R79-E83 WeakPolarHBondContact O-CB 3.48Å; R79-E83 VanDerWaalsContact O-CG 3.25Å; R79-E83 WeakPolarHBondContact O-CG 3.28Å; R79-E83 PolarHBondContact O-N 2.91Å |
| 80 | R | 90.4 | Very high | 91.7 | Very high | 180 Ų | 180 | 90.8 Ų | 90.8 | 68% | 0.679 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62 | -44.7 | 177.8 | -71.6 | -173.1 | 176.8 | -173.3 | -0.9 | 112 | A77 E78 L82 E83 E84 | A77-R80 PolarHBondContact O-N 3.39Å; E78-R80 VanDerWaalsContact C-N 3.33Å; E78-R80 PolarHBondContact O-N 2.9Å; R80-L82 VanDerWaalsContact C-N 3.34Å; R80-L82 PolarHBondContact O-N 3.37Å; R80-E83 PolarHBondContact O-N 3.47Å; R80-E84 WeakPolarHBondContact O-CG 3.43Å; R80-E84 PolarHBondContact O-N 3.35Å |
| 81 | W | 91.3 | Very high | 91.8 | Very high | 168 Ų | 168 | 95.9 Ų | 95.9 | 64% | 0.636 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.4 | -39.2 | 177.6 | -177.7 | 80.1 | 0 | 0 | 0 | 111.9 | E78 R79 T85 | E78-W81 PolarHBondContact O-N 3.37Å; R79-W81 PolarHBondContact O-N 3.23Å; W81-T85 VanDerWaalsContact O-CB 3.25Å; W81-T85 WeakPolarHBondContact O-CB 3.49Å; W81-T85 PolarHBondContact O-N 2.93Å; W81-T85 PolarHBondContact O-OG1 2.96Å |
| 82 | L | 93.1 | Very high | 91.8 | Very high | 34 Ų | 34 | 99.8 Ų | 99.8 | 18% | 0.178 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -67.8 | -37.9 | 173.5 | -73.4 | 172.7 | 0 | 0 | 0 | 112.9 | L71 T74 E78 R79 R80 T85 L86 | L71-L82 HydrophobicContact CD2-CB 3.69Å; L71-L82 HydrophobicContact CD2-CD1 4.05Å; T74-L82 HydrophobicContact CG2-CD1 3.82Å; E78-L82 WeakPolarHBondContact O-CG 3.47Å; E78-L82 PolarHBondContact O-N 2.95Å; R79-L82 PolarHBondContact O-N 2.99Å; R80-L82 VanDerWaalsContact C-N 3.34Å; R80-L82 PolarHBondContact O-N 3.37Å; L82-T85 PolarHBondContact O-N 2.91Å; L82-L86 WeakPolarHBondContact O-CB 3.42Å; L82-L86 PolarHBondContact O-N 3.32Å |
| 83 | E | 91.8 | Very high | 91.6 | Very high | 96 Ų | 96 | 99.4 Ų | 99.4 | 45% | 0.449 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.9 | -47.7 | 175.3 | -76.8 | 166.2 | -176.4 | 0 | 0 | 111.2 | L71 R79 R80 T85 L86 I87 | L71-E83 HydrophobicContact CD2-CG 4.43Å; R79-E83 WeakPolarHBondContact O-CB 3.48Å; R79-E83 VanDerWaalsContact O-CG 3.25Å; R79-E83 WeakPolarHBondContact O-CG 3.28Å; R79-E83 PolarHBondContact O-N 2.91Å; R80-E83 PolarHBondContact O-N 3.47Å; E83-T85 VanDerWaalsContact C-N 3.35Å; E83-T85 PolarHBondContact O-N 3.03Å; E83-L86 PolarHBondContact O-N 3.38Å; E83-I87 WeakPolarHBondContact O-CB 3.16Å; E83-I87 WeakPolarHBondContact O-CD1 3.36Å; E83-I87 VanDerWaalsContact O-CG1 3.23Å; E83-I87 WeakPolarHBondContact O-CG1 3.16Å; E83-I87 PolarHBondContact O-N 3.07Å |
| 84 | E | 91.6 | Very high | 91.5 | Very high | 134 Ų | 134 | 94.8 Ų | 94.8 | 63% | 0.626 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.7 | -43.1 | 174.6 | -72.9 | 175.1 | -170.4 | 0 | 0 | 111.7 | R80 I87 A88 | R80-E84 WeakPolarHBondContact O-CG 3.43Å; R80-E84 PolarHBondContact O-N 3.35Å; E84-I87 PolarHBondContact O-N 3.03Å; E84-A88 WeakPolarHBondContact O-CB 3.36Å; E84-A88 PolarHBondContact O-N 2.95Å |
| 85 | T | 91.2 | Very high | 91.5 | Very high | 62 Ų | 62 | 102.6 Ų | 102.6 | 38% | 0.38 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66 | -40.5 | 176.9 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | W81 L82 E83 A88 F89 | W81-T85 VanDerWaalsContact O-CB 3.25Å; W81-T85 WeakPolarHBondContact O-CB 3.49Å; W81-T85 PolarHBondContact O-N 2.93Å; W81-T85 PolarHBondContact O-OG1 2.96Å; L82-T85 PolarHBondContact O-N 2.91Å; E83-T85 VanDerWaalsContact C-N 3.35Å; E83-T85 PolarHBondContact O-N 3.03Å; T85-A88 PolarHBondContact O-N 3.09Å; T85-F89 WeakPolarHBondContact O-CB 3.47Å; T85-F89 PolarHBondContact O-N 3.44Å |
| 86 | L | 91.7 | Very high | 91.4 | Very high | 71 Ų | 71 | 101.2 Ų | 101.2 | 37% | 0.372 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 175.3 | -175.1 | 73.2 | 0 | 0 | 0 | 111.3 | V67 L82 E83 F89 S90 | V67-L86 HydrophobicContact CG1-CD1 4.16Å; L82-L86 WeakPolarHBondContact O-CB 3.42Å; L82-L86 PolarHBondContact O-N 3.32Å; E83-L86 PolarHBondContact O-N 3.38Å; L86-F89 PolarHBondContact O-N 3.02Å; L86-S90 WeakPolarHBondContact O-CB 3.45Å; L86-S90 PolarHBondContact O-N 2.91Å |
| 87 | I | 92.7 | Very high | 91.4 | Very high | 84 Ų | 84 | 98.6 Ų | 98.6 | 43% | 0.431 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 176.3 | -70.5 | 163.4 | 0 | 0 | 0 | 110.6 | E83 E84 R91 | E83-I87 WeakPolarHBondContact O-CB 3.16Å; E83-I87 WeakPolarHBondContact O-CD1 3.36Å; E83-I87 VanDerWaalsContact O-CG1 3.23Å; E83-I87 WeakPolarHBondContact O-CG1 3.16Å; E83-I87 PolarHBondContact O-N 3.07Å; E84-I87 PolarHBondContact O-N 3.03Å; I87-R91 VanDerWaalsContact O-CG 3.29Å; I87-R91 WeakPolarHBondContact O-CG 3.34Å; I87-R91 PolarHBondContact O-N 2.65Å; I87-R91 VanDerWaalsContact O-N 3.07Å |
| 88 | A | 92.7 | Very high | 91.6 | Very high | 58 Ų | 58 | 97.4 Ų | 97.4 | 48% | 0.479 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | E84 T85 R91 L92 | E84-A88 WeakPolarHBondContact O-CB 3.36Å; E84-A88 PolarHBondContact O-N 2.95Å; T85-A88 PolarHBondContact O-N 3.09Å; A88-R91 PolarHBondContact O-N 2.94Å; A88-L92 PolarHBondContact O-N 2.85Å |
| 89 | F | 90.7 | Very high | 91.5 | Very high | 98 Ų | 98 | 95.3 Ų | 95.3 | 43% | 0.43 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 177.9 | -173.9 | -116.6 | 0 | 0 | 0 | 112.5 | V63 T85 L86 R91 L92 I93 | V63-F89 HydrophobicContact CG1-CE1 4.48Å; T85-F89 WeakPolarHBondContact O-CB 3.47Å; T85-F89 PolarHBondContact O-N 3.44Å; L86-F89 PolarHBondContact O-N 3.02Å; F89-R91 PolarHBondContact O-N 2.94Å; F89-L92 WeakPolarHBondContact O-CB 3.46Å; F89-L92 PolarHBondContact O-N 3.4Å; F89-I93 HydrophobicContact CD1-CD1 3.7Å; F89-I93 HydrophobicContact CE1-CD1 3.43Å; F89-I93 VanDerWaalsContact CE1-CD1 3.43Å; F89-I93 HydrophobicContact CE2-CD1 4.31Å; F89-I93 HydrophobicContact CG-CD1 4.27Å; F89-I93 HydrophobicContact CZ-CD1 3.76Å; F89-I93 WeakPolarHBondContact O-CG1 3.28Å; F89-I93 PolarHBondContact O-N 3.38Å |
| 90 | S | 90.5 | Very high | 91.3 | Very high | 56 Ų | 56 | 95.6 Ų | 95.6 | 39% | 0.392 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 174.9 | -165.9 | 0 | 0 | 0 | 0 | 111.6 | L86 L92 I93 E94 | L86-S90 WeakPolarHBondContact O-CB 3.45Å; L86-S90 PolarHBondContact O-N 2.91Å; S90-L92 VanDerWaalsContact C-N 3.3Å; S90-L92 PolarHBondContact O-N 3.18Å; S90-I93 PolarHBondContact O-N 2.83Å; S90-E94 WeakPolarHBondContact O-CG 3.45Å; S90-E94 PolarHBondContact O-N 2.96Å |
| 91 | R | 92.6 | Very high | 91.3 | Very high | 157 Ų | 157 | 88.9 Ų | 88.9 | 59% | 0.592 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.5 | -33.4 | 175.8 | -72.4 | 169.9 | 177.7 | 174.3 | 1 | 112.8 | I87 A88 F89 R95 | I87-R91 VanDerWaalsContact O-CG 3.29Å; I87-R91 WeakPolarHBondContact O-CG 3.34Å; I87-R91 PolarHBondContact O-N 2.65Å; I87-R91 VanDerWaalsContact O-N 3.07Å; A88-R91 PolarHBondContact O-N 2.94Å; F89-R91 PolarHBondContact O-N 2.94Å; R91-R95 WeakPolarHBondContact O-CB 3.34Å; R91-R95 VanDerWaalsContact O-CG 3.28Å; R91-R95 WeakPolarHBondContact O-CG 3.36Å; R91-R95 PolarHBondContact O-N 3.39Å |
| 92 | L | 92.8 | Very high | 91 | Very high | 112 Ų | 112 | 86.9 Ų | 86.9 | 59% | 0.586 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -67.8 | -43.3 | 174.5 | -176.5 | 63.6 | 0 | 0 | 0 | 111.4 | A88 F89 S90 R95 A96 | A88-L92 PolarHBondContact O-N 2.85Å; F89-L92 WeakPolarHBondContact O-CB 3.46Å; F89-L92 PolarHBondContact O-N 3.4Å; S90-L92 VanDerWaalsContact C-N 3.3Å; S90-L92 PolarHBondContact O-N 3.18Å; L92-R95 PolarHBondContact O-N 3.05Å; L92-A96 PolarHBondContact O-N 3.25Å |
| 93 | I | 91.1 | Very high | 90.6 | Very high | 41 Ų | 41 | 91.1 Ų | 91.1 | 21% | 0.21 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 175.3 | -71.2 | 163 | 0 | 0 | 0 | 111.3 | L60 F89 S90 R95 A96 F97 | L60-I93 HydrophobicContact CD1-CG2 4.17Å; L60-I93 HydrophobicContact CD2-CD1 3.62Å; L60-I93 HydrophobicContact CD2-CG1 4.47Å; F89-I93 HydrophobicContact CD1-CD1 3.7Å; F89-I93 HydrophobicContact CE1-CD1 3.43Å; F89-I93 VanDerWaalsContact CE1-CD1 3.43Å; F89-I93 HydrophobicContact CE2-CD1 4.31Å; F89-I93 HydrophobicContact CG-CD1 4.27Å; F89-I93 HydrophobicContact CZ-CD1 3.76Å; F89-I93 WeakPolarHBondContact O-CG1 3.28Å; F89-I93 PolarHBondContact O-N 3.38Å; S90-I93 PolarHBondContact O-N 2.83Å; I93-R95 PolarHBondContact O-N 3.31Å; I93-A96 PolarHBondContact O-N 3.35Å; I93-F97 HydrophobicContact CG2-CD2 3.62Å; I93-F97 HydrophobicContact CG2-CE2 3.65Å; I93-F97 WeakPolarHBondContact O-CD2 3.18Å; I93-F97 PolarHBondContact O-N 3.28Å |
| 94 | E | 91.4 | Very high | 90.2 | Very high | 123 Ų | 123 | 90.1 Ų | 90.1 | 58% | 0.575 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.7 | -44 | 175.6 | -74.7 | 173.8 | 166 | 0 | 0 | 111.7 | S90 F97 A98 | S90-E94 WeakPolarHBondContact O-CG 3.45Å; S90-E94 PolarHBondContact O-N 2.96Å; E94-F97 PolarHBondContact O-N 3.46Å; E94-A98 VanDerWaalsContact O-CB 3.31Å; E94-A98 WeakPolarHBondContact O-CB 3.23Å; E94-A98 PolarHBondContact O-N 3.07Å |
| 95 | R | 92.6 | Very high | 89.7 | Confident | 192 Ų | 192 | 86 Ų | 86 | 73% | 0.725 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.2 | -41.8 | 174.1 | -75.3 | 172 | 175.5 | -169.7 | -3.2 | 112.4 | R91 L92 I93 A98 A99 | R91-R95 WeakPolarHBondContact O-CB 3.34Å; R91-R95 VanDerWaalsContact O-CG 3.28Å; R91-R95 WeakPolarHBondContact O-CG 3.36Å; R91-R95 PolarHBondContact O-N 3.39Å; L92-R95 PolarHBondContact O-N 3.05Å; I93-R95 PolarHBondContact O-N 3.31Å; R95-A98 PolarHBondContact O-N 3.37Å; R95-A99 WeakPolarHBondContact O-CB 3.25Å; R95-A99 PolarHBondContact O-N 3.07Å |
| 96 | A | 91.1 | Very high | 89.1 | Confident | 54 Ų | 54 | 89.2 Ų | 89.2 | 45% | 0.446 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.3 | -45.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L92 I93 A98 A99 V100 | L92-A96 PolarHBondContact O-N 3.25Å; I93-A96 PolarHBondContact O-N 3.35Å; A96-A98 PolarHBondContact O-N 3.44Å; A96-A99 PolarHBondContact O-N 3.21Å; A96-V100 WeakPolarHBondContact O-CG2 3.25Å; A96-V100 PolarHBondContact O-N 3.02Å |
| 97 | F | 90.5 | Very high | 88.4 | Confident | 92 Ų | 92 | 88.7 Ų | 88.7 | 40% | 0.404 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.5 | -34.9 | 174.9 | -82.6 | -64.2 | 0 | 0 | 0 | 112.8 | V56 L60 I93 E94 G101 | V56-F97 HydrophobicContact CG1-CZ 4.08Å; L60-F97 HydrophobicContact CD1-CE2 4.04Å; L60-F97 HydrophobicContact CD1-CZ 4.44Å; I93-F97 HydrophobicContact CG2-CD2 3.62Å; I93-F97 HydrophobicContact CG2-CE2 3.65Å; I93-F97 WeakPolarHBondContact O-CD2 3.18Å; I93-F97 PolarHBondContact O-N 3.28Å; E94-F97 PolarHBondContact O-N 3.46Å; F97-G101 PolarHBondContact O-N 2.63Å |
| 98 | A | 90.7 | Very high | 87.4 | Confident | 53 Ų | 53 | 92.1 Ų | 92.1 | 44% | 0.438 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E94 R95 A96 G101 H102 | E94-A98 VanDerWaalsContact O-CB 3.31Å; E94-A98 WeakPolarHBondContact O-CB 3.23Å; E94-A98 PolarHBondContact O-N 3.07Å; R95-A98 PolarHBondContact O-N 3.37Å; A96-A98 PolarHBondContact O-N 3.44Å; A98-G101 PolarHBondContact O-N 2.8Å; A98-H102 PolarHBondContact O-CD2 3.48Å; A98-H102 PolarHBondContact O-N 2.92Å |
| 99 | A | 89.6 | Confident | 85.9 | Confident | 51 Ų | 51 | 96.4 Ų | 96.4 | 42% | 0.421 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R95 A96 G101 H102 I103 | R95-A99 WeakPolarHBondContact O-CB 3.25Å; R95-A99 PolarHBondContact O-N 3.07Å; A96-A99 PolarHBondContact O-N 3.21Å; A99-G101 VanDerWaalsContact C-N 3.28Å; A99-G101 PolarHBondContact O-N 3.13Å; A99-H102 PolarHBondContact O-N 2.92Å; A99-I103 WeakPolarHBondContact O-CG1 3.42Å; A99-I103 PolarHBondContact O-N 3.23Å |
| 100 | V | 87.8 | Confident | 84.4 | Confident | 92 Ų | 92 | 98.6 Ų | 98.6 | 56% | 0.558 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.1 | -38.1 | 174.1 | 172.8 | 0 | 0 | 0 | 0 | 111.4 | A96 S104 | A96-V100 WeakPolarHBondContact O-CG2 3.25Å; A96-V100 PolarHBondContact O-N 3.02Å; V100-S104 WeakPolarHBondContact O-CB 3.45Å; V100-S104 PolarHBondContact O-N 3.42Å |
| 101 | G | 89.1 | Confident | 83.1 | Confident | 38 Ų | 38 | 102.9 Ų | 102.9 | 39% | 0.392 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.4 | -44.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F97 A98 A99 S104 A105 | F97-G101 PolarHBondContact O-N 2.63Å; A98-G101 PolarHBondContact O-N 2.8Å; A99-G101 VanDerWaalsContact C-N 3.28Å; A99-G101 PolarHBondContact O-N 3.13Å; G101-S104 PolarHBondContact O-N 2.71Å; G101-A105 WeakPolarHBondContact O-CB 3.45Å; G101-A105 PolarHBondContact O-N 3.1Å |
| 102 | H | 86.4 | Confident | 81.5 | Confident | 127 Ų | 127 | 101 Ų | 101 | 59% | 0.588 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64 | -44.2 | 175.8 | -89.4 | -82.9 | 0 | 0 | 0 | 112.2 | A98 A99 S104 A105 M106 | A98-H102 PolarHBondContact O-CD2 3.48Å; A98-H102 PolarHBondContact O-N 2.92Å; A99-H102 PolarHBondContact O-N 2.92Å; H102-S104 VanDerWaalsContact C-N 3.34Å; H102-S104 PolarHBondContact O-N 2.96Å; H102-A105 PolarHBondContact O-N 3.22Å; H102-A105 VanDerWaalsContact O-N 3.1Å; H102-M106 WeakPolarHBondContact O-CG 3.45Å; H102-M106 PolarHBondContact O-N 3.48Å |
| 103 | I | 84.3 | Confident | 79.3 | Confident | 123 Ų | 123 | 98.9 Ų | 98.9 | 63% | 0.631 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -59.6 | -45.6 | 175.2 | -66 | 163.9 | 0 | 0 | 0 | 110.4 | A99 A105 M106 G107 | A99-I103 WeakPolarHBondContact O-CG1 3.42Å; A99-I103 PolarHBondContact O-N 3.23Å; I103-A105 PolarHBondContact O-N 2.81Å; I103-M106 PolarHBondContact O-N 3.34Å; I103-G107 PolarHBondContact O-N 2.98Å; I103-G107 VanDerWaalsContact O-N 3.14Å |
| 104 | S | 83.1 | Confident | 77.7 | Confident | 75 Ų | 75 | 104.6 Ų | 104.6 | 52% | 0.524 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.2 | -17.4 | 176.4 | -177.4 | 0 | 0 | 0 | 0 | 114.5 | V100 G101 H102 | V100-S104 WeakPolarHBondContact O-CB 3.45Å; V100-S104 PolarHBondContact O-N 3.42Å; G101-S104 PolarHBondContact O-N 2.71Å; H102-S104 VanDerWaalsContact C-N 3.34Å; H102-S104 PolarHBondContact O-N 2.96Å |
| 105 | A | 81 | Confident | 76.1 | Confident | 46 Ų | 46 | 105 Ų | 105 | 38% | 0.38 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -88.6 | -43.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G101 H102 I103 G107 K108 Q109 | G101-A105 WeakPolarHBondContact O-CB 3.45Å; G101-A105 PolarHBondContact O-N 3.1Å; H102-A105 PolarHBondContact O-N 3.22Å; H102-A105 VanDerWaalsContact O-N 3.1Å; I103-A105 PolarHBondContact O-N 2.81Å; A105-G107 VanDerWaalsContact C-N 3.28Å; A105-G107 PolarHBondContact O-N 2.93Å; A105-K108 PolarHBondContact O-N 3.47Å; A105-Q109 PolarHBondContact O-N 2.95Å |
| 106 | M | 79.8 | Confident | 74.4 | Confident | 130 Ų | 130 | 100.4 Ų | 100.4 | 64% | 0.64 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -57.4 | -42 | 174.2 | -75.4 | 178.2 | 162.5 | 0 | 0 | 111.5 | H102 I103 K108 Q109 | H102-M106 WeakPolarHBondContact O-CG 3.45Å; H102-M106 PolarHBondContact O-N 3.48Å; I103-M106 PolarHBondContact O-N 3.34Å; M106-K108 PolarHBondContact O-N 3.42Å; M106-Q109 PolarHBondContact O-N 3.05Å |
| 107 | G | 77.1 | Confident | 72.9 | Confident | 60 Ų | 60 | 107.1 Ų | 107.1 | 62% | 0.619 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65 | 5.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | I103 A105 | I103-G107 PolarHBondContact O-N 2.98Å; I103-G107 VanDerWaalsContact O-N 3.14Å; A105-G107 VanDerWaalsContact C-N 3.28Å; A105-G107 PolarHBondContact O-N 2.93Å |
| 108 | K | 71.3 | Confident | 71.3 | Confident | 157 Ų | 157 | 111.4 Ų | 111.4 | 68% | 0.683 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -126.3 | -7.7 | 177.5 | -70 | -170.1 | 174.1 | -172.3 | 0 | 115.3 | A105 M106 | A105-K108 PolarHBondContact O-N 3.47Å; M106-K108 PolarHBondContact O-N 3.42Å |
| 109 | Q | 60.1 | Low | 69.6 | Low | 148 Ų | 148 | 116.2 Ų | 116.2 | 69% | 0.692 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -90.6 | -6.6 | -179.2 | -70.3 | -165.1 | -89.1 | 0 | 0 | 114.2 | A105 M106 | A105-Q109 PolarHBondContact O-N 2.95Å; M106-Q109 PolarHBondContact O-N 3.05Å |
| 110 | N | 59.9 | Low | 67.9 | Low | 144 Ų | 144 | 119.5 Ų | 119.5 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -85.6 | -14.3 | -178.6 | -66.6 | -9.5 | 0 | 0 | 0 | 114.1 | | |
| 111 | D | 63.4 | Low | 67.4 | Low | 146 Ų | 146 | 124.4 Ų | 124.4 | 78% | 0.781 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -94.3 | -8 | -173 | -66.4 | -30.4 | 0 | 0 | 0 | 114.6 | | |
| 112 | T | 57.6 | Low | 67 | Low | 117 Ų | 117 | 133.5 Ų | 133.5 | 72% | 0.718 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -96.2 | 100.9 | 175.1 | 51.2 | 0 | 0 | 0 | 0 | 110 | | |
| 113 | G | 46.6 | Very low | 67 | Low | 67 Ų | 67 | 130.9 Ų | 130.9 | 69% | 0.691 | 72% | 0.72 | S | S | * | * | | | trans | -77.1 | 142.6 | -164.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 114 | D | 57.7 | Low | 67.2 | Low | 161 Ų | 161 | 128.2 Ų | 128.2 | 86% | 0.861 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -152.5 | -14.3 | 152.2 | -111.5 | -29.6 | 0 | 0 | 0 | 112.6 | A116 | D114-A116 PolarHBondContact O-N 3.2Š|
| 115 | V | 58.9 | Low | 67.6 | Low | 133 Ų | 133 | 130.6 Ų | 130.6 | 81% | 0.806 | 72% | 0.721 | S | S | * | * | | | trans | -72.5 | 8.2 | 178.6 | -163.2 | 0 | 0 | 0 | 0 | 113.4 | K117 | V115-K117 PolarHBondContact O-N 3.23Š|
| 116 | A | 57.4 | Low | 67.9 | Low | 95 Ų | 95 | 134.8 Ų | 134.8 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 20.5 | -166.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | D114 | D114-A116 PolarHBondContact O-N 3.2Š|
| 117 | K | 58.2 | Low | 68.3 | Low | 194 Ų | 194 | 133.6 Ų | 133.6 | 84% | 0.843 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.2 | 0.8 | -170.9 | -77.7 | -173.5 | 176.6 | 173.8 | 0 | 118 | V115 | V115-K117 PolarHBondContact O-N 3.23Š|
| 118 | Q | 57.9 | Low | 68.9 | Low | 183 Ų | 183 | 135.5 Ų | 135.5 | 86% | 0.855 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127 | -18.3 | -179.4 | -71.8 | -166.9 | -29.5 | 0 | 0 | 117.4 | | |
| 119 | N | 55.6 | Low | 69.6 | Low | 154 Ų | 154 | 136.1 Ų | 136.1 | 82% | 0.824 | 72% | 0.719 | S | S | * | * | | | trans | -110.1 | 35.4 | 178.1 | -76.5 | -11.3 | 0 | 0 | 0 | 113.9 | K121 | N119-K121 PolarHBondContact O-N 3.33Š|
| 120 | S | 52.1 | Low | 70.7 | Confident | 119 Ų | 119 | 132.9 Ų | 132.9 | 83% | 0.832 | 71% | 0.706 | S | S | * | * | | | trans | -79.7 | 48.4 | 178.2 | -175.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 121 | K | 78.5 | Confident | 71.9 | Confident | 196 Ų | 196 | 128.6 Ų | 128.6 | 85% | 0.852 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 119.6 | 156.1 | -74.1 | -171.3 | 175.7 | -173.4 | 0 | 107.1 | N119 | N119-K121 PolarHBondContact O-N 3.33Š|
| 122 | R | 80.4 | Confident | 72.7 | Confident | 229 Ų | 229 | 128.5 Ų | 128.5 | 86% | 0.864 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 138.5 | 164.3 | -68.4 | -179 | 176.7 | -179.4 | -1.6 | 107.1 | T124 | R122-T124 PolarHBondContact O-N 2.95Š|
| 123 | P | 86.3 | Confident | 73.3 | Confident | 71 Ų | 71 | 127.8 Ų | 127.8 | 46% | 0.461 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 141.3 | 174.8 | 26.6 | -34.5 | 0 | 0 | 0 | 109.1 | E127 L128 | P123-E127 WeakPolarHBondContact CA-OE2 3.48Å; P123-E127 HydrophobicContact CB-CB 4.25Å; P123-L128 HydrophobicContact CB-CD2 4.26Å; P123-L128 HydrophobicContact CB-CG 4.12Å; P123-L128 HydrophobicContact CG-CD1 4.25Å; P123-L128 HydrophobicContact CG-CD2 3.78Å; P123-L128 HydrophobicContact CG-CG 3.92Å |
| 124 | T | 89.5 | Confident | 74.7 | Confident | 67 Ų | 67 | 130.7 Ų | 130.7 | 41% | 0.411 | 67% | 0.674 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 159 | -179.8 | 71.2 | 0 | 0 | 0 | 0 | 110.4 | R122 E126 E127 L128 | R122-T124 PolarHBondContact O-N 2.95Å; T124-E126 PolarHBondContact O-N 3.1Å; T124-E127 PolarHBondContact N-OE2 3.21Å; T124-E127 PolarHBondContact O-N 3.27Å; T124-E127 VanDerWaalsContact O-N 3.1Å; T124-E127 VanDerWaalsContact OG1-CG 3.29Å; T124-E127 WeakPolarHBondContact OG1-CG 3.29Å; T124-E127 PolarHBondContact OG1-N 2.91Å; T124-L128 PolarHBondContact O-N 3.31Å |
| 125 | T | 89.6 | Confident | 75.5 | Confident | 125 Ų | 125 | 129.7 Ų | 129.7 | 77% | 0.767 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -61.4 | -25.3 | 175.6 | -43.5 | 0 | 0 | 0 | 0 | 111.9 | R129 | T125-R129 VanDerWaalsContact O-CB 3.31Å; T125-R129 WeakPolarHBondContact O-CB 3.44Å; T125-R129 PolarHBondContact O-N 3.03Å |
| 126 | E | 87.9 | Confident | 76.3 | Confident | 135 Ų | 135 | 127.5 Ų | 127.5 | 63% | 0.631 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -72 | -50.1 | 170.2 | -169.8 | -169.5 | -172.2 | 0 | 0 | 111.5 | T124 L128 R129 L130 | T124-E126 PolarHBondContact O-N 3.1Å; E126-L128 VanDerWaalsContact C-N 3.29Å; E126-L128 PolarHBondContact O-N 3.11Å; E126-R129 CarbonylContact O-C 3.59Å; E126-R129 PolarHBondContact O-N 3.04Å; E126-L130 HydrophobicContact CG-CD1 3.9Å; E126-L130 HydrophobicContact CG-CG 4.29Å; E126-L130 WeakPolarHBondContact O-CB 3.4Å; E126-L130 WeakPolarHBondContact O-CG 3.4Å; E126-L130 PolarHBondContact O-N 3.05Å |
| 127 | E | 88 | Confident | 77.3 | Confident | 105 Ų | 105 | 127 Ų | 127 | 49% | 0.491 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -57.6 | -40.6 | 178.3 | -73.5 | 164.3 | 176.3 | 0 | 0 | 112 | P123 T124 A131 | P123-E127 WeakPolarHBondContact CA-OE2 3.48Å; P123-E127 HydrophobicContact CB-CB 4.25Å; T124-E127 PolarHBondContact N-OE2 3.21Å; T124-E127 PolarHBondContact O-N 3.27Å; T124-E127 VanDerWaalsContact O-N 3.1Å; T124-E127 VanDerWaalsContact OG1-CG 3.29Å; T124-E127 WeakPolarHBondContact OG1-CG 3.29Å; T124-E127 PolarHBondContact OG1-N 2.91Å; E127-A131 VanDerWaalsContact O-CB 3.3Å; E127-A131 WeakPolarHBondContact O-CB 3.48Å; E127-A131 PolarHBondContact O-N 3.37Å |
| 128 | L | 91.2 | Very high | 78.5 | Confident | 99 Ų | 99 | 120.7 Ų | 120.7 | 52% | 0.518 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.4 | -41.7 | 174.1 | -73.6 | 173.7 | 0 | 0 | 0 | 112.4 | P123 T124 E126 A131 E132 | P123-L128 HydrophobicContact CB-CD2 4.26Å; P123-L128 HydrophobicContact CB-CG 4.12Å; P123-L128 HydrophobicContact CG-CD1 4.25Å; P123-L128 HydrophobicContact CG-CD2 3.78Å; P123-L128 HydrophobicContact CG-CG 3.92Å; T124-L128 PolarHBondContact O-N 3.31Å; E126-L128 VanDerWaalsContact C-N 3.29Å; E126-L128 PolarHBondContact O-N 3.11Å; L128-A131 PolarHBondContact O-N 3.06Å; L128-E132 WeakPolarHBondContact O-CB 3.27Å; L128-E132 PolarHBondContact O-N 3.42Å |
| 129 | R | 85.3 | Confident | 79.8 | Confident | 171 Ų | 171 | 116.3 Ų | 116.3 | 65% | 0.645 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.5 | -37.8 | 177.1 | 179.1 | 178.4 | 175.7 | 172.1 | 0.2 | 112.4 | T125 E126 E132 M133 | T125-R129 VanDerWaalsContact O-CB 3.31Å; T125-R129 WeakPolarHBondContact O-CB 3.44Å; T125-R129 PolarHBondContact O-N 3.03Å; E126-R129 CarbonylContact O-C 3.59Å; E126-R129 PolarHBondContact O-N 3.04Å; R129-E132 PolarHBondContact O-N 3.22Å; R129-M133 HydrophobicContact CG-SD 4.4Å; R129-M133 WeakPolarHBondContact O-CB 3.08Å; R129-M133 WeakPolarHBondContact O-CG 3.35Å; R129-M133 PolarHBondContact O-N 3.44Å |
| 130 | L | 83.8 | Confident | 81.5 | Confident | 80 Ų | 80 | 112 Ų | 112 | 42% | 0.419 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.4 | -41 | 173.8 | -71.1 | 169.7 | 0 | 0 | 0 | 110.8 | E126 M133 L134 | E126-L130 HydrophobicContact CG-CD1 3.9Å; E126-L130 HydrophobicContact CG-CG 4.29Å; E126-L130 WeakPolarHBondContact O-CB 3.4Å; E126-L130 WeakPolarHBondContact O-CG 3.4Å; E126-L130 PolarHBondContact O-N 3.05Å; L130-M133 PolarHBondContact O-N 3.42Å; L130-L134 WeakPolarHBondContact O-CB 3.46Å; L130-L134 VanDerWaalsContact O-CG 3.23Å; L130-L134 WeakPolarHBondContact O-CG 3.14Å; L130-L134 PolarHBondContact O-N 3.45Å |
| 131 | A | 83.4 | Confident | 83.5 | Confident | 54 Ų | 54 | 112.4 Ų | 112.4 | 45% | 0.446 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.9 | -38.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E127 L128 L134 N135 | E127-A131 VanDerWaalsContact O-CB 3.3Å; E127-A131 WeakPolarHBondContact O-CB 3.48Å; E127-A131 PolarHBondContact O-N 3.37Å; L128-A131 PolarHBondContact O-N 3.06Å; A131-L134 PolarHBondContact O-N 2.99Å; A131-N135 WeakPolarHBondContact O-CB 3.3Å; A131-N135 PolarHBondContact O-N 3.5Å |
| 132 | E | 80.7 | Confident | 84.3 | Confident | 144 Ų | 144 | 104.1 Ų | 104.1 | 67% | 0.673 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.8 | -50.2 | 173.9 | -168.8 | 168.2 | -147.2 | 0 | 0 | 111 | L128 R129 L134 N135 D136 | L128-E132 WeakPolarHBondContact O-CB 3.27Å; L128-E132 PolarHBondContact O-N 3.42Å; R129-E132 PolarHBondContact O-N 3.22Å; E132-L134 VanDerWaalsContact C-N 3.25Å; E132-L134 PolarHBondContact O-N 3.02Å; E132-N135 PolarHBondContact O-N 2.99Å; E132-N135 VanDerWaalsContact O-N 3.11Å; E132-D136 PolarHBondContact O-N 3.49Å |
| 133 | M | 71.4 | Confident | 85 | Confident | 101 Ų | 101 | 98.3 Ų | 98.3 | 50% | 0.498 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.3 | -25.2 | 175.7 | -74.2 | 177 | 51.7 | 0 | 0 | 114.6 | R129 L130 Q139 | R129-M133 HydrophobicContact CG-SD 4.4Å; R129-M133 WeakPolarHBondContact O-CB 3.08Å; R129-M133 WeakPolarHBondContact O-CG 3.35Å; R129-M133 PolarHBondContact O-N 3.44Å; L130-M133 PolarHBondContact O-N 3.42Å; M133-Q139 PolarHBondContact O-NE2 2.95Å |
| 134 | L | 75.1 | Confident | 85.5 | Confident | 129 Ų | 129 | 99.1 Ų | 99.1 | 68% | 0.675 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -89.7 | -18.3 | 176.1 | -72.6 | 169.2 | 0 | 0 | 0 | 113.1 | L130 A131 E132 | L130-L134 WeakPolarHBondContact O-CB 3.46Å; L130-L134 VanDerWaalsContact O-CG 3.23Å; L130-L134 WeakPolarHBondContact O-CG 3.14Å; L130-L134 PolarHBondContact O-N 3.45Å; A131-L134 PolarHBondContact O-N 2.99Å; E132-L134 VanDerWaalsContact C-N 3.25Å; E132-L134 PolarHBondContact O-N 3.02Å |
| 135 | N | 73.9 | Confident | 85.9 | Confident | 139 Ų | 139 | 98.3 Ų | 98.3 | 74% | 0.743 | 53% | 0.527 | S | S | * | . | | | trans | -101.3 | 10 | 179.5 | -168.3 | 65.9 | 0 | 0 | 0 | 112.7 | A131 E132 S137 | A131-N135 WeakPolarHBondContact O-CB 3.3Å; A131-N135 PolarHBondContact O-N 3.5Å; E132-N135 PolarHBondContact O-N 2.99Å; E132-N135 VanDerWaalsContact O-N 3.11Å; N135-S137 PolarHBondContact O-N 3.14Å; N135-S137 VanDerWaalsContact O-N 3.08Å |
| 136 | D | 76.3 | Confident | 86.3 | Confident | 87 Ų | 87 | 94.4 Ų | 94.4 | 47% | 0.465 | 50% | 0.5 | S | S | . | . | | | trans | -54.2 | 110.7 | 164.7 | -89.4 | -36.6 | 0 | 0 | 0 | 109.6 | E132 S138 Q139 | E132-D136 PolarHBondContact O-N 3.49Å; D136-S138 PolarHBondContact O-N 3.18Å; D136-Q139 PolarHBondContact O-N 2.9Å |
| 137 | S | 78.2 | Confident | 86.8 | Confident | 85 Ų | 85 | 94.1 Ų | 94.1 | 59% | 0.594 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.7 | -22.1 | -172.4 | 60.1 | 0 | 0 | 0 | 0 | 113.7 | N135 Q139 A140 E141 | N135-S137 PolarHBondContact O-N 3.14Å; N135-S137 VanDerWaalsContact O-N 3.08Å; S137-Q139 VanDerWaalsContact C-N 3.26Å; S137-Q139 PolarHBondContact O-N 3.36Å; S137-A140 PolarHBondContact O-N 2.98Å; S137-E141 PolarHBondContact O-N 3.11Å |
| 138 | S | 83.8 | Confident | 87.2 | Confident | 61 Ų | 61 | 92.3 Ų | 92.3 | 43% | 0.427 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.6 | -30.4 | 172.6 | 53.4 | 0 | 0 | 0 | 0 | 113.3 | D136 A142 | D136-S138 PolarHBondContact O-N 3.18Å; S138-A142 VanDerWaalsContact O-CB 3.22Å; S138-A142 WeakPolarHBondContact O-CB 3.36Å; S138-A142 PolarHBondContact O-N 2.94Å |
| 139 | Q | 85.5 | Confident | 87.6 | Confident | 91 Ų | 91 | 87.6 Ų | 87.6 | 43% | 0.425 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.6 | -40.6 | 174.9 | -63.4 | -165.9 | 45.3 | 0 | 0 | 111.6 | M133 D136 S137 A142 I143 | M133-Q139 PolarHBondContact O-NE2 2.95Å; D136-Q139 PolarHBondContact O-N 2.9Å; S137-Q139 VanDerWaalsContact C-N 3.26Å; S137-Q139 PolarHBondContact O-N 3.36Å; Q139-A142 PolarHBondContact O-N 3.43Å; Q139-I143 VanDerWaalsContact O-CG1 3.32Å; Q139-I143 WeakPolarHBondContact O-CG1 3.48Å; Q139-I143 PolarHBondContact O-N 3.14Å |
| 140 | A | 90.5 | Very high | 88.2 | Confident | 64 Ų | 64 | 81.1 Ų | 81.1 | 53% | 0.529 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S137 V144 | S137-A140 PolarHBondContact O-N 2.98Å; A140-V144 WeakPolarHBondContact O-CG2 3.48Å; A140-V144 PolarHBondContact O-N 3.37Å |
| 141 | E | 93.8 | Very high | 88.9 | Confident | 128 Ų | 128 | 83.9 Ų | 83.9 | 60% | 0.598 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -65.3 | -43.9 | 172.9 | -70.1 | 178.9 | 169 | 0 | 0 | 111.7 | S137 I143 V144 L145 | S137-E141 PolarHBondContact O-N 3.11Å; E141-I143 PolarHBondContact O-N 3.05Å; E141-V144 PolarHBondContact O-N 3.07Å; E141-V144 VanDerWaalsContact O-N 3.16Å; E141-L145 WeakPolarHBondContact O-CG 3.46Å; E141-L145 PolarHBondContact O-N 3.48Å |
| 142 | A | 94.9 | Very high | 89.5 | Confident | 21 Ų | 21 | 86.5 Ų | 86.5 | 17% | 0.174 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -60.6 | -41.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S138 Q139 V144 L145 Q146 L164 | S138-A142 VanDerWaalsContact O-CB 3.22Å; S138-A142 WeakPolarHBondContact O-CB 3.36Å; S138-A142 PolarHBondContact O-N 2.94Å; Q139-A142 PolarHBondContact O-N 3.43Å; A142-V144 VanDerWaalsContact C-N 3.32Å; A142-V144 PolarHBondContact O-N 3.14Å; A142-L145 PolarHBondContact O-N 3.45Å; A142-Q146 VanDerWaalsContact O-CB 3.24Å; A142-Q146 WeakPolarHBondContact O-CB 3.29Å; A142-Q146 PolarHBondContact O-N 3.06Å; A142-L164 HydrophobicContact CB-CD2 4.1Å; A142-L164 VanDerWaalsContact O-CD2 3.3Å; A142-L164 WeakPolarHBondContact O-CD2 3.31Å |
| 143 | I | 95.8 | Very high | 90.3 | Very high | 108 Ų | 108 | 80.8 Ų | 80.8 | 55% | 0.554 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.4 | -38.2 | 176 | -68 | 163.5 | 0 | 0 | 0 | 111.3 | Q139 E141 K147 | Q139-I143 VanDerWaalsContact O-CG1 3.32Å; Q139-I143 WeakPolarHBondContact O-CG1 3.48Å; Q139-I143 PolarHBondContact O-N 3.14Å; E141-I143 PolarHBondContact O-N 3.05Å; I143-K147 PolarHBondContact O-N 3.33Å |
| 144 | V | 97.3 | Very high | 91.6 | Very high | 88 Ų | 88 | 79.2 Ų | 79.2 | 53% | 0.533 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.8 | -44.5 | 175.5 | 172.8 | 0 | 0 | 0 | 0 | 111 | A140 E141 A142 K147 I148 | A140-V144 WeakPolarHBondContact O-CG2 3.48Å; A140-V144 PolarHBondContact O-N 3.37Å; E141-V144 PolarHBondContact O-N 3.07Å; E141-V144 VanDerWaalsContact O-N 3.16Å; A142-V144 VanDerWaalsContact C-N 3.32Å; A142-V144 PolarHBondContact O-N 3.14Å; V144-K147 PolarHBondContact O-N 3.37Å; V144-I148 HydrophobicContact CG1-CD1 4.03Å; V144-I148 WeakPolarHBondContact O-CG1 3.46Å; V144-I148 PolarHBondContact O-N 3.3Å |
| 145 | L | 97.6 | Very high | 92.7 | Very high | 49 Ų | 49 | 74.7 Ų | 74.7 | 26% | 0.257 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 177.1 | -68.1 | 179.1 | 0 | 0 | 0 | 112 | E141 A142 K147 I148 I149 L164 F171 | E141-L145 WeakPolarHBondContact O-CG 3.46Å; E141-L145 PolarHBondContact O-N 3.48Å; A142-L145 PolarHBondContact O-N 3.45Å; L145-K147 VanDerWaalsContact C-N 3.28Å; L145-K147 PolarHBondContact O-N 2.96Å; L145-I148 PolarHBondContact O-N 3.36Å; L145-I148 VanDerWaalsContact O-N 3.12Å; L145-I149 VanDerWaalsContact O-CG1 3.29Å; L145-I149 WeakPolarHBondContact O-CG1 3.28Å; L145-I149 PolarHBondContact O-N 3.45Å; L145-L164 HydrophobicContact CB-CD1 4.15Å; L145-L164 HydrophobicContact CB-CD2 3.83Å; L145-L164 HydrophobicContact CD1-CD1 4.21Å; L145-F171 HydrophobicContact CD2-CB 4.15Å; L145-F171 HydrophobicContact CD2-CD2 4.05Å; L145-F171 HydrophobicContact CD2-CG 4.3Å |
| 146 | Q | 97.8 | Very high | 93.8 | Very high | 44 Ų | 44 | 74.2 Ų | 74.2 | 21% | 0.206 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -51.8 | -47.4 | 174.8 | -180 | -166.9 | 0.6 | 0 | 0 | 110.9 | A142 I149 V150 E157 A160 A161 L164 | A142-Q146 VanDerWaalsContact O-CB 3.24Å; A142-Q146 WeakPolarHBondContact O-CB 3.29Å; A142-Q146 PolarHBondContact O-N 3.06Å; Q146-I149 WeakPolarHBondContact O-CB 3.41Å; Q146-I149 PolarHBondContact O-N 3.42Å; Q146-V150 WeakPolarHBondContact O-CG2 3.49Å; Q146-V150 PolarHBondContact O-N 3.22Å; Q146-E157 PolarHBondContact NE2-O 2.89Å; Q146-A160 HydrophobicContact CG-CB 4.09Å; Q146-A161 HydrophobicContact CG-CB 4.28Å; Q146-L164 HydrophobicContact CB-CD2 4.34Å |
| 147 | K | 98.1 | Very high | 94.8 | Very high | 128 Ų | 128 | 76.7 Ų | 76.7 | 56% | 0.557 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.6 | -41.1 | 178.5 | -179.6 | 165 | 177.1 | 165.5 | 0 | 112.9 | I143 V144 L145 I149 V150 E151 | I143-K147 PolarHBondContact O-N 3.33Å; V144-K147 PolarHBondContact O-N 3.37Å; L145-K147 VanDerWaalsContact C-N 3.28Å; L145-K147 PolarHBondContact O-N 2.96Å; K147-I149 VanDerWaalsContact C-N 3.3Å; K147-I149 PolarHBondContact O-N 2.9Å; K147-V150 PolarHBondContact O-N 3.32Å; K147-E151 WeakPolarHBondContact CE-OE1 3.45Å; K147-E151 IonicContact NZ-OE1 2.75Å; K147-E151 WeakPolarHBondContact O-CG 3.27Å; K147-E151 PolarHBondContact O-N 2.94Å |
| 148 | I | 97.8 | Very high | 95.7 | Very high | 68 Ų | 68 | 74.8 Ų | 74.8 | 35% | 0.349 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.1 | -36 | 176.8 | -58.9 | 163.2 | 0 | 0 | 0 | 110.4 | V144 L145 E151 L152 F171 | V144-I148 HydrophobicContact CG1-CD1 4.03Å; V144-I148 WeakPolarHBondContact O-CG1 3.46Å; V144-I148 PolarHBondContact O-N 3.3Å; L145-I148 PolarHBondContact O-N 3.36Å; L145-I148 VanDerWaalsContact O-N 3.12Å; I148-E151 PolarHBondContact O-N 3.1Å; I148-L152 HydrophobicContact CG2-CD1 4.31Å; I148-L152 HydrophobicContact CG2-CG 4.45Å; I148-L152 WeakPolarHBondContact O-CG 3.49Å; I148-L152 PolarHBondContact O-N 3.04Å; I148-F171 HydrophobicContact CB-CE2 3.86Å; I148-F171 HydrophobicContact CB-CZ 4.47Å; I148-F171 HydrophobicContact CG2-CE2 3.51Å; I148-F171 HydrophobicContact CG2-CZ 3.62Å |
| 149 | I | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 174.5 | -68.1 | 161.7 | 0 | 0 | 0 | 110.9 | L145 Q146 K147 L152 T153 A160 L164 F171 A174 V175 L178 | L145-I149 VanDerWaalsContact O-CG1 3.29Å; L145-I149 WeakPolarHBondContact O-CG1 3.28Å; L145-I149 PolarHBondContact O-N 3.45Å; Q146-I149 WeakPolarHBondContact O-CB 3.41Å; Q146-I149 PolarHBondContact O-N 3.42Å; K147-I149 VanDerWaalsContact C-N 3.3Å; K147-I149 PolarHBondContact O-N 2.9Å; I149-L152 PolarHBondContact O-N 3.26Å; I149-T153 HydrophobicContact CG2-CG2 4.15Å; I149-T153 WeakPolarHBondContact O-CB 3.34Å; I149-T153 WeakPolarHBondContact O-CG2 2.93Å; I149-T153 PolarHBondContact O-N 3.24Å; I149-T153 PolarHBondContact O-OG1 3.2Å; I149-A160 HydrophobicContact CB-CB 4.15Å; I149-A160 HydrophobicContact CG2-CB 3.72Å; I149-L164 HydrophobicContact CD1-CB 3.94Å; I149-L164 HydrophobicContact CD1-CD1 3.86Å; I149-L164 HydrophobicContact CD1-CD2 4.44Å; I149-L164 HydrophobicContact CD1-CG 4.3Å; I149-F171 HydrophobicContact CD1-CD2 4.12Å; I149-F171 HydrophobicContact CG1-CD2 3.64Å; I149-F171 HydrophobicContact CG1-CE2 3.74Å; I149-A174 HydrophobicContact CD1-CB 3.62Å; I149-A174 HydrophobicContact CG1-CB 4.44Å; I149-V175 HydrophobicContact CG1-CG2 3.98Å; I149-L178 HydrophobicContact CG2-CD1 3.43Å; I149-L178 VanDerWaalsContact CG2-CD1 3.43Å |
| 150 | V | 98.2 | Very high | 97 | Very high | 34 Ų | 34 | 72 Ų | 72 | 21% | 0.206 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.2 | -47.6 | 173.8 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | Q146 K147 L152 G154 E157 A160 | Q146-V150 WeakPolarHBondContact O-CG2 3.49Å; Q146-V150 PolarHBondContact O-N 3.22Å; K147-V150 PolarHBondContact O-N 3.32Å; V150-L152 VanDerWaalsContact C-N 3.29Å; V150-L152 PolarHBondContact O-N 3.48Å; V150-G154 WeakPolarHBondContact O-CA 3.39Å; V150-G154 PolarHBondContact O-N 2.87Å; V150-E157 HydrophobicContact CG2-CB 4.42Å; V150-E157 HydrophobicContact CG2-CG 4.01Å; V150-A160 HydrophobicContact CG2-CB 3.48Å; V150-A160 VanDerWaalsContact CG2-CB 3.48Å |
| 151 | E | 98.1 | Very high | 97.4 | Very high | 138 Ų | 138 | 70.7 Ų | 70.7 | 65% | 0.645 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65.2 | -27.4 | -179 | -73.2 | 179.4 | -167.6 | 0 | 0 | 113.5 | K147 I148 | K147-E151 WeakPolarHBondContact CE-OE1 3.45Å; K147-E151 IonicContact NZ-OE1 2.75Å; K147-E151 WeakPolarHBondContact O-CG 3.27Å; K147-E151 PolarHBondContact O-N 2.94Å; I148-E151 PolarHBondContact O-N 3.1Å |
| 152 | L | 97.7 | Very high | 97.6 | Very high | 109 Ų | 109 | 68.6 Ų | 68.6 | 57% | 0.571 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -90.1 | -38.6 | 176.7 | -70.7 | -176.2 | 0 | 0 | 0 | 114.7 | I148 I149 V150 F171 V175 | I148-L152 HydrophobicContact CG2-CD1 4.31Å; I148-L152 HydrophobicContact CG2-CG 4.45Å; I148-L152 WeakPolarHBondContact O-CG 3.49Å; I148-L152 PolarHBondContact O-N 3.04Å; I149-L152 PolarHBondContact O-N 3.26Å; V150-L152 VanDerWaalsContact C-N 3.29Å; V150-L152 PolarHBondContact O-N 3.48Å; L152-F171 HydrophobicContact CD1-CE1 4.43Å; L152-F171 HydrophobicContact CD1-CE2 4.46Å; L152-F171 HydrophobicContact CD1-CZ 3.64Å; L152-V175 HydrophobicContact CD1-CG2 4.41Å |
| 153 | T | 97.6 | Very high | 97.7 | Very high | 24 Ų | 24 | 68 Ų | 68 | 15% | 0.147 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -93.7 | -26.1 | -172.8 | 62.6 | 0 | 0 | 0 | 0 | 112.9 | I149 C155 V175 L178 L179 | I149-T153 HydrophobicContact CG2-CG2 4.15Å; I149-T153 WeakPolarHBondContact O-CB 3.34Å; I149-T153 WeakPolarHBondContact O-CG2 2.93Å; I149-T153 PolarHBondContact O-N 3.24Å; I149-T153 PolarHBondContact O-OG1 3.2Å; T153-C155 PolarHBondContact O-N 3.33Å; T153-C155 PolarHBondContact OG1-N 3.07Å; T153-V175 HydrophobicContact CG2-CB 4.49Å; T153-V175 HydrophobicContact CG2-CG1 4.19Å; T153-V175 HydrophobicContact CG2-CG2 4.4Å; T153-L178 HydrophobicContact CG2-CB 3.87Å; T153-L178 HydrophobicContact CG2-CD1 3.98Å; T153-L179 HydrophobicContact CG2-CD2 4.21Å; T153-L179 HydrophobicContact CG2-CG 4.23Å |
| 154 | G | 97.6 | Very high | 97.8 | Very high | 69 Ų | 69 | 63.1 Ų | 63.1 | 71% | 0.711 | 36% | 0.363 | S | S | * | . | | | trans | 70.8 | 13.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V150 | V150-G154 WeakPolarHBondContact O-CA 3.39Å; V150-G154 PolarHBondContact O-N 2.87Å |
| 155 | C | 97.4 | Very high | 97.8 | Very high | 33 Ų | 33 | 65.4 Ų | 65.4 | 22% | 0.223 | 37% | 0.368 | C | S | . | . | | | trans | -77.8 | 159.1 | 171.8 | -67.9 | 0 | 0 | 0 | 0 | 111.7 | T153 D159 L178 | T153-C155 PolarHBondContact O-N 3.33Å; T153-C155 PolarHBondContact OG1-N 3.07Å; C155-D159 HydrophobicContact CB-CB 4.17Å; C155-L178 HydrophobicContact CB-CD1 4.28Å; C155-L178 HydrophobicContact CB-CD2 4.42Å |
| 156 | D | 97.8 | Very high | 97.8 | Very high | 129 Ų | 129 | 66.8 Ų | 66.8 | 69% | 0.69 | 38% | 0.376 | S | S | * | . | | | trans | -66.7 | 153.2 | 176.9 | -73.5 | -36.8 | 0 | 0 | 0 | 111.5 | G158 D159 A160 | D156-G158 PolarHBondContact O-N 3.01Å; D156-G158 VanDerWaalsContact O-N 3.08Å; D156-D159 PolarHBondContact O-N 2.65Å; D156-A160 PolarHBondContact O-N 3.01Å |
| 157 | E | 97.6 | Very high | 97.8 | Very high | 139 Ų | 139 | 64.8 Ų | 64.8 | 65% | 0.65 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -55 | -31.2 | -177.6 | -70.5 | 178.4 | 172.3 | 0 | 0 | 113.5 | Q146 V150 A161 | Q146-E157 PolarHBondContact NE2-O 2.89Å; V150-E157 HydrophobicContact CG2-CB 4.42Å; V150-E157 HydrophobicContact CG2-CG 4.01Å; E157-A161 PolarHBondContact O-N 3.2Å; E157-A161 VanDerWaalsContact O-N 3.08Å |
| 158 | G | 97.8 | Very high | 97.8 | Very high | 46 Ų | 46 | 65.7 Ų | 65.7 | 47% | 0.474 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.9 | -43.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D156 A160 A161 V162 | D156-G158 PolarHBondContact O-N 3.01Å; D156-G158 VanDerWaalsContact O-N 3.08Å; G158-A160 VanDerWaalsContact C-N 3.32Å; G158-A160 PolarHBondContact O-N 3.36Å; G158-A161 PolarHBondContact O-N 2.78Å; G158-V162 WeakPolarHBondContact O-CG2 3.43Å; G158-V162 PolarHBondContact O-N 2.66Å |
| 159 | D | 97.8 | Very high | 97.7 | Very high | 92 Ų | 92 | 66.4 Ų | 66.4 | 49% | 0.492 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.2 | -39.4 | 176.9 | -73.8 | -8.3 | 0 | 0 | 0 | 110.6 | C155 D156 V162 A163 L178 | C155-D159 HydrophobicContact CB-CB 4.17Å; D156-D159 PolarHBondContact O-N 2.65Å; D159-V162 PolarHBondContact O-N 3.33Å; D159-A163 VanDerWaalsContact O-CB 3.24Å; D159-A163 WeakPolarHBondContact O-CB 3.36Å; D159-A163 PolarHBondContact O-N 3.07Å; D159-L178 HydrophobicContact CB-CD2 4.33Å |
| 160 | A | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q146 I149 V150 D156 G158 L164 | Q146-A160 HydrophobicContact CG-CB 4.09Å; I149-A160 HydrophobicContact CB-CB 4.15Å; I149-A160 HydrophobicContact CG2-CB 3.72Å; V150-A160 HydrophobicContact CG2-CB 3.48Å; V150-A160 VanDerWaalsContact CG2-CB 3.48Å; D156-A160 PolarHBondContact O-N 3.01Å; G158-A160 VanDerWaalsContact C-N 3.32Å; G158-A160 PolarHBondContact O-N 3.36Å; A160-L164 VanDerWaalsContact O-CB 3.27Å; A160-L164 WeakPolarHBondContact O-CB 3.48Å; A160-L164 PolarHBondContact O-N 2.84Å |
| 161 | A | 98 | Very high | 97.7 | Very high | 37 Ų | 37 | 70.1 Ų | 70.1 | 31% | 0.306 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.1 | -44.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q146 E157 G158 L164 H165 | Q146-A161 HydrophobicContact CG-CB 4.28Å; E157-A161 PolarHBondContact O-N 3.2Å; E157-A161 VanDerWaalsContact O-N 3.08Å; G158-A161 PolarHBondContact O-N 2.78Å; A161-L164 PolarHBondContact O-N 3.27Å; A161-H165 VanDerWaalsContact O-CB 3.31Å; A161-H165 WeakPolarHBondContact O-CB 3.23Å; A161-H165 PolarHBondContact O-N 3.18Å |
| 162 | V | 97.8 | Very high | 97.7 | Very high | 84 Ų | 84 | 70.2 Ų | 70.2 | 51% | 0.509 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 177.7 | 173.6 | 0 | 0 | 0 | 0 | 111 | G158 D159 L164 H165 D166 | G158-V162 WeakPolarHBondContact O-CG2 3.43Å; G158-V162 PolarHBondContact O-N 2.66Å; D159-V162 PolarHBondContact O-N 3.33Å; V162-L164 PolarHBondContact O-N 2.84Å; V162-H165 PolarHBondContact O-N 3.41Å; V162-D166 WeakPolarHBondContact O-CB 3.33Å; V162-D166 PolarHBondContact O-N 3.08Å |
| 163 | A | 98 | Very high | 97.7 | Very high | 10 Ų | 10 | 69.8 Ų | 69.8 | 8% | 0.083 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D159 A167 A174 L178 | D159-A163 VanDerWaalsContact O-CB 3.24Å; D159-A163 WeakPolarHBondContact O-CB 3.36Å; D159-A163 PolarHBondContact O-N 3.07Å; A163-A167 WeakPolarHBondContact O-CB 3.35Å; A163-A167 PolarHBondContact O-N 2.92Å; A163-A167 VanDerWaalsContact O-N 3.17Å; A163-A174 HydrophobicContact CB-CB 4.28Å; A163-L178 HydrophobicContact CB-CD1 3.78Å; A163-L178 HydrophobicContact CB-CD2 3.97Å; A163-L178 HydrophobicContact CB-CG 3.74Å |
| 164 | L | 98.2 | Very high | 97.7 | Very high | 5 Ų | 5 | 68.7 Ų | 68.7 | 3% | 0.026 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.8 | -46.4 | 175.9 | -177.3 | 65.6 | 0 | 0 | 0 | 112 | A142 L145 Q146 I149 A160 A161 V162 A167 N169 A174 | A142-L164 HydrophobicContact CB-CD2 4.1Å; A142-L164 VanDerWaalsContact O-CD2 3.3Å; A142-L164 WeakPolarHBondContact O-CD2 3.31Å; L145-L164 HydrophobicContact CB-CD1 4.15Å; L145-L164 HydrophobicContact CB-CD2 3.83Å; L145-L164 HydrophobicContact CD1-CD1 4.21Å; Q146-L164 HydrophobicContact CB-CD2 4.34Å; I149-L164 HydrophobicContact CD1-CB 3.94Å; I149-L164 HydrophobicContact CD1-CD1 3.86Å; I149-L164 HydrophobicContact CD1-CD2 4.44Å; I149-L164 HydrophobicContact CD1-CG 4.3Å; A160-L164 VanDerWaalsContact O-CB 3.27Å; A160-L164 WeakPolarHBondContact O-CB 3.48Å; A160-L164 PolarHBondContact O-N 2.84Å; A161-L164 PolarHBondContact O-N 3.27Å; V162-L164 PolarHBondContact O-N 2.84Å; L164-A167 PolarHBondContact O-N 2.95Å; L164-N169 HydrophobicContact CD1-CB 4.32Å; L164-N169 VanDerWaalsContact O-CA 3.29Å; L164-N169 WeakPolarHBondContact O-CA 3.32Å; L164-N169 PolarHBondContact O-N 3.21Å; L164-A174 HydrophobicContact CB-CB 4.38Å; L164-A174 HydrophobicContact CD1-CB 4.41Å |
| 165 | H | 97.5 | Very high | 97.7 | Very high | 135 Ų | 135 | 66.2 Ų | 66.2 | 63% | 0.625 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.4 | -51.7 | 177 | 174.5 | -86.1 | 0 | 0 | 0 | 111.7 | A161 V162 A167 D168 | A161-H165 VanDerWaalsContact O-CB 3.31Å; A161-H165 WeakPolarHBondContact O-CB 3.23Å; A161-H165 PolarHBondContact O-N 3.18Å; V162-H165 PolarHBondContact O-N 3.41Å; H165-A167 PolarHBondContact O-N 2.58Å; H165-A167 VanDerWaalsContact O-N 3.15Å; H165-D168 PolarHBondContact O-N 3.03Å; H165-D168 VanDerWaalsContact O-N 3.08Å |
| 166 | D | 97.6 | Very high | 97.8 | Very high | 79 Ų | 79 | 68.8 Ų | 68.8 | 42% | 0.422 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -5.9 | -177.8 | -67.9 | -2 | 0 | 0 | 0 | 112.9 | V162 R177 | V162-D166 WeakPolarHBondContact O-CB 3.33Å; V162-D166 PolarHBondContact O-N 3.08Å; D166-R177 VanDerWaalsContact CB-NH1 3.25Å; D166-R177 PolarHBondContact O-NH1 3.35Å; D166-R177 PolarHBondContact O-NH2 3.37Å |
| 167 | A | 97.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.008 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 9.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A163 L164 H165 N169 D170 K173 A174 | A163-A167 WeakPolarHBondContact O-CB 3.35Å; A163-A167 PolarHBondContact O-N 2.92Å; A163-A167 VanDerWaalsContact O-N 3.17Å; L164-A167 PolarHBondContact O-N 2.95Å; H165-A167 PolarHBondContact O-N 2.58Å; H165-A167 VanDerWaalsContact O-N 3.15Å; A167-N169 VanDerWaalsContact C-N 3.28Å; A167-N169 PolarHBondContact O-N 3.04Å; A167-D170 HydrophobicContact CB-CB 4.47Å; A167-D170 WeakPolarHBondContact CB-O 2.88Å; A167-D170 WeakPolarHBondContact O-CB 3.22Å; A167-D170 PolarHBondContact O-N 3.23Å; A167-D170 VanDerWaalsContact O-N 3.08Å; A167-K173 HydrophobicContact CB-CB 3.91Å; A167-A174 HydrophobicContact CB-CB 4.08Å |
| 168 | D | 97.3 | Very high | 97.7 | Very high | 148 Ų | 148 | 63.4 Ų | 63.4 | 79% | 0.791 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 35.1 | -173.2 | -55.7 | -58.4 | 0 | 0 | 0 | 112.8 | H165 D170 | H165-D168 PolarHBondContact O-N 3.03Å; H165-D168 VanDerWaalsContact O-N 3.08Å; D168-D170 PolarHBondContact O-N 2.95Å |
| 169 | N | 96.5 | Very high | 97.6 | Very high | 82 Ų | 82 | 66.4 Ų | 66.4 | 44% | 0.439 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 16.4 | -169.9 | -57.5 | -56.6 | 0 | 0 | 0 | 115.6 | L164 A167 F171 | L164-N169 HydrophobicContact CD1-CB 4.32Å; L164-N169 VanDerWaalsContact O-CA 3.29Å; L164-N169 WeakPolarHBondContact O-CA 3.32Å; L164-N169 PolarHBondContact O-N 3.21Å; A167-N169 VanDerWaalsContact C-N 3.28Å; A167-N169 PolarHBondContact O-N 3.04Å; N169-F171 PolarHBondContact O-N 3.36Å |
| 170 | D | 97.7 | Very high | 97.4 | Very high | 56 Ų | 56 | 69.8 Ų | 69.8 | 30% | 0.299 | 35% | 0.352 | S | S | . | . | | | trans | -77.3 | 110.3 | 171.8 | -169.4 | -39.9 | 0 | 0 | 0 | 111.4 | A167 D168 E172 K173 A174 | A167-D170 HydrophobicContact CB-CB 4.47Å; A167-D170 WeakPolarHBondContact CB-O 2.88Å; A167-D170 WeakPolarHBondContact O-CB 3.22Å; A167-D170 PolarHBondContact O-N 3.23Å; A167-D170 VanDerWaalsContact O-N 3.08Å; D168-D170 PolarHBondContact O-N 2.95Å; D170-E172 PolarHBondContact O-N 3.25Å; D170-E172 PolarHBondContact OD1-N 3.11Å; D170-K173 HydrophobicContact CB-CB 4.17Å; D170-K173 HydrophobicContact CB-CD 4.29Å; D170-K173 HydrophobicContact CB-CG 4.11Å; D170-K173 PolarHBondContact O-N 2.94Å; D170-K173 PolarHBondContact OD1-N 2.98Å; D170-K173 IonicContact OD2-NZ 3.81Å; D170-K173 PolarHBondContact OD2-NZ 2.9Å; D170-A174 WeakPolarHBondContact O-CB 3.41Å; D170-A174 PolarHBondContact O-N 3.13Å |
| 171 | F | 97.7 | Very high | 96.5 | Very high | 56 Ų | 56 | 71.3 Ų | 71.3 | 25% | 0.246 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56.6 | -43.8 | 179 | 172.3 | -99.8 | 0 | 0 | 0 | 114.1 | L145 I148 I149 L152 N169 A174 V175 | L145-F171 HydrophobicContact CD2-CB 4.15Å; L145-F171 HydrophobicContact CD2-CD2 4.05Å; L145-F171 HydrophobicContact CD2-CG 4.3Å; I148-F171 HydrophobicContact CB-CE2 3.86Å; I148-F171 HydrophobicContact CB-CZ 4.47Å; I148-F171 HydrophobicContact CG2-CE2 3.51Å; I148-F171 HydrophobicContact CG2-CZ 3.62Å; I149-F171 HydrophobicContact CD1-CD2 4.12Å; I149-F171 HydrophobicContact CG1-CD2 3.64Å; I149-F171 HydrophobicContact CG1-CE2 3.74Å; L152-F171 HydrophobicContact CD1-CE1 4.43Å; L152-F171 HydrophobicContact CD1-CE2 4.46Å; L152-F171 HydrophobicContact CD1-CZ 3.64Å; N169-F171 PolarHBondContact O-N 3.36Å; F171-A174 PolarHBondContact O-N 3.44Å; F171-V175 HydrophobicContact CD2-CG2 4.44Å; F171-V175 HydrophobicContact CE1-CG2 4.39Å; F171-V175 HydrophobicContact CE2-CG2 4.07Å; F171-V175 HydrophobicContact CZ-CG2 4.06Å; F171-V175 WeakPolarHBondContact O-CG2 3.35Å; F171-V175 PolarHBondContact O-N 3.27Å |
| 172 | E | 97.9 | Very high | 95 | Very high | 141 Ų | 141 | 74.4 Ų | 74.4 | 66% | 0.659 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -68.7 | -45.8 | -176 | -64.8 | -173.5 | 165.7 | 0 | 0 | 109.6 | D170 A174 V175 D176 | D170-E172 PolarHBondContact O-N 3.25Å; D170-E172 PolarHBondContact OD1-N 3.11Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 2.97Å; E172-V175 PolarHBondContact O-N 3.43Å; E172-D176 WeakPolarHBondContact O-CB 3.29Å; E172-D176 PolarHBondContact O-N 2.8Å |
| 173 | K | 98 | Very high | 93.1 | Very high | 100 Ų | 100 | 79.5 Ų | 79.5 | 44% | 0.435 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.7 | -33.1 | 174.9 | -62.4 | -166.6 | -161.7 | 81.6 | 0 | 113.4 | A167 D170 R177 | A167-K173 HydrophobicContact CB-CB 3.91Å; D170-K173 HydrophobicContact CB-CB 4.17Å; D170-K173 HydrophobicContact CB-CD 4.29Å; D170-K173 HydrophobicContact CB-CG 4.11Å; D170-K173 PolarHBondContact O-N 2.94Å; D170-K173 PolarHBondContact OD1-N 2.98Å; D170-K173 IonicContact OD2-NZ 3.81Å; D170-K173 PolarHBondContact OD2-NZ 2.9Å; K173-R177 WeakPolarHBondContact O-CG 3.4Å; K173-R177 PolarHBondContact O-N 3.45Å |
| 174 | A | 98.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -70.4 | -42.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I149 A163 L164 A167 D170 F171 E172 L178 | I149-A174 HydrophobicContact CD1-CB 3.62Å; I149-A174 HydrophobicContact CG1-CB 4.44Å; A163-A174 HydrophobicContact CB-CB 4.28Å; L164-A174 HydrophobicContact CB-CB 4.38Å; L164-A174 HydrophobicContact CD1-CB 4.41Å; A167-A174 HydrophobicContact CB-CB 4.08Å; D170-A174 WeakPolarHBondContact O-CB 3.41Å; D170-A174 PolarHBondContact O-N 3.13Å; F171-A174 PolarHBondContact O-N 3.44Å; E172-A174 VanDerWaalsContact C-N 3.29Å; E172-A174 PolarHBondContact O-N 2.97Å; A174-L178 WeakPolarHBondContact O-CG 3.29Å; A174-L178 PolarHBondContact O-N 3.11Å |
| 175 | V | 98.2 | Very high | 89.1 | Confident | 17 Ų | 17 | 89.3 Ų | 89.3 | 10% | 0.103 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -62.8 | -48 | 172 | 171.8 | 0 | 0 | 0 | 0 | 110.5 | I149 L152 T153 F171 E172 R177 L178 L179 | I149-V175 HydrophobicContact CG1-CG2 3.98Å; L152-V175 HydrophobicContact CD1-CG2 4.41Å; T153-V175 HydrophobicContact CG2-CB 4.49Å; T153-V175 HydrophobicContact CG2-CG1 4.19Å; T153-V175 HydrophobicContact CG2-CG2 4.4Å; F171-V175 HydrophobicContact CD2-CG2 4.44Å; F171-V175 HydrophobicContact CE1-CG2 4.39Å; F171-V175 HydrophobicContact CE2-CG2 4.07Å; F171-V175 HydrophobicContact CZ-CG2 4.06Å; F171-V175 WeakPolarHBondContact O-CG2 3.35Å; F171-V175 PolarHBondContact O-N 3.27Å; E172-V175 PolarHBondContact O-N 3.43Å; V175-R177 PolarHBondContact O-N 3.47Å; V175-L178 PolarHBondContact O-N 3.31Å; V175-L179 HydrophobicContact CG1-CD1 3.57Å; V175-L179 HydrophobicContact CG1-CG 4.09Å; V175-L179 WeakPolarHBondContact O-CB 3.29Å; V175-L179 WeakPolarHBondContact O-CG 3.43Å; V175-L179 PolarHBondContact O-N 3.18Å |
| 176 | D | 97.6 | Very high | 87 | Confident | 88 Ų | 88 | 90.3 Ų | 90.3 | 47% | 0.471 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -57.5 | -48.3 | 179.6 | -76.1 | -19.1 | 0 | 0 | 0 | 111.6 | E172 L178 L179 E180 | E172-D176 WeakPolarHBondContact O-CB 3.29Å; E172-D176 PolarHBondContact O-N 2.8Å; D176-L178 VanDerWaalsContact C-N 3.28Å; D176-L178 PolarHBondContact O-N 2.9Å; D176-L179 PolarHBondContact O-N 3.38Å; D176-E180 VanDerWaalsContact O-CB 3.28Å; D176-E180 WeakPolarHBondContact O-CB 3.45Å; D176-E180 WeakPolarHBondContact O-CG 3.3Å; D176-E180 PolarHBondContact O-N 3.34Å |
| 177 | R | 96.1 | Very high | 84.9 | Confident | 117 Ų | 117 | 98 Ų | 98 | 44% | 0.442 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.2 | -34.9 | 178.9 | -76.9 | -174.5 | -170 | 171.6 | 13.5 | 114.1 | D166 K173 V175 G181 | D166-R177 VanDerWaalsContact CB-NH1 3.25Å; D166-R177 PolarHBondContact O-NH1 3.35Å; D166-R177 PolarHBondContact O-NH2 3.37Å; K173-R177 WeakPolarHBondContact O-CG 3.4Å; K173-R177 PolarHBondContact O-N 3.45Å; V175-R177 PolarHBondContact O-N 3.47Å; R177-G181 PolarHBondContact O-N 2.87Å |
| 178 | L | 97.4 | Very high | 82.7 | Confident | 37 Ų | 37 | 103.7 Ų | 103.7 | 19% | 0.194 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -76.5 | -35.5 | 178 | -68.2 | 172.7 | 0 | 0 | 0 | 111.9 | I149 T153 C155 D159 A163 A174 V175 D176 G181 | I149-L178 HydrophobicContact CG2-CD1 3.43Å; I149-L178 VanDerWaalsContact CG2-CD1 3.43Å; T153-L178 HydrophobicContact CG2-CB 3.87Å; T153-L178 HydrophobicContact CG2-CD1 3.98Å; C155-L178 HydrophobicContact CB-CD1 4.28Å; C155-L178 HydrophobicContact CB-CD2 4.42Å; D159-L178 HydrophobicContact CB-CD2 4.33Å; A163-L178 HydrophobicContact CB-CD1 3.78Å; A163-L178 HydrophobicContact CB-CD2 3.97Å; A163-L178 HydrophobicContact CB-CG 3.74Å; A174-L178 WeakPolarHBondContact O-CG 3.29Å; A174-L178 PolarHBondContact O-N 3.11Å; V175-L178 PolarHBondContact O-N 3.31Å; D176-L178 VanDerWaalsContact C-N 3.28Å; D176-L178 PolarHBondContact O-N 2.9Å; L178-G181 PolarHBondContact O-N 3.02Å |
| 179 | L | 97 | Very high | 81.3 | Confident | 110 Ų | 110 | 102.9 Ų | 102.9 | 58% | 0.576 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -82.3 | -37.4 | 179.8 | -66.8 | -176.2 | 0 | 0 | 0 | 114.1 | T153 V175 D176 G181 | T153-L179 HydrophobicContact CG2-CD2 4.21Å; T153-L179 HydrophobicContact CG2-CG 4.23Å; V175-L179 HydrophobicContact CG1-CD1 3.57Å; V175-L179 HydrophobicContact CG1-CG 4.09Å; V175-L179 WeakPolarHBondContact O-CB 3.29Å; V175-L179 WeakPolarHBondContact O-CG 3.43Å; V175-L179 PolarHBondContact O-N 3.18Å; D176-L179 PolarHBondContact O-N 3.38Å; L179-G181 PolarHBondContact O-N 3.16Å |
| 180 | E | 93.3 | Very high | 79.4 | Confident | 162 Ų | 162 | 107 Ų | 107 | 76% | 0.757 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -21.6 | 168.3 | -70.7 | -170.1 | 148.8 | 0 | 0 | 111 | D176 | D176-E180 VanDerWaalsContact O-CB 3.28Å; D176-E180 WeakPolarHBondContact O-CB 3.45Å; D176-E180 WeakPolarHBondContact O-CG 3.3Å; D176-E180 PolarHBondContact O-N 3.34Å |
| 181 | G | 79 | Confident | 77.5 | Confident | 33 Ų | 33 | 110.8 Ų | 110.8 | 34% | 0.34 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 40.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R177 L178 L179 K183 | R177-G181 PolarHBondContact O-N 2.87Å; L178-G181 PolarHBondContact O-N 3.02Å; L179-G181 PolarHBondContact O-N 3.16Å; G181-K183 PolarHBondContact O-N 3.42Å |
| 182 | D | 65.8 | Low | 75.2 | Confident | 102 Ų | 102 | 114.4 Ų | 114.4 | 55% | 0.545 | 57% | 0.566 | S | S | . | * | | | trans | -75.3 | 65.2 | -174.6 | -155.9 | 17.2 | 0 | 0 | 0 | 112.3 | Q184 G185 | D182-Q184 PolarHBondContact O-N 3.21Å; D182-Q184 WeakPolarHBondContact OD1-CG 3.24Å; D182-Q184 PolarHBondContact OD1-NE2 3.45Å; D182-G185 PolarHBondContact O-N 3.31Å |
| 183 | K | 58.8 | Low | 73.2 | Confident | 191 Ų | 191 | 116.9 Ų | 116.9 | 83% | 0.83 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -63.3 | 6.9 | 176.3 | -64.8 | 178.6 | -177 | -175.4 | 0 | 113.5 | G181 G185 | G181-K183 PolarHBondContact O-N 3.42Å; K183-G185 PolarHBondContact O-N 2.89Å |
| 184 | Q | 52.4 | Low | 71.2 | Confident | 168 Ų | 168 | 121.3 Ų | 121.3 | 79% | 0.785 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -67.1 | -12.3 | 161.3 | -61.4 | -177.3 | 74.5 | 0 | 0 | 112.2 | D182 E186 | D182-Q184 PolarHBondContact O-N 3.21Å; D182-Q184 WeakPolarHBondContact OD1-CG 3.24Å; D182-Q184 PolarHBondContact OD1-NE2 3.45Å; Q184-E186 PolarHBondContact O-N 3.49Å |
| 185 | G | 58.5 | Low | 68.9 | Low | 53 Ų | 53 | 128.4 Ų | 128.4 | 55% | 0.546 | 63% | 0.627 | S | S | . | * | G | 310 helix | trans | -68.4 | 9.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | D182 K183 W187 | D182-G185 PolarHBondContact O-N 3.31Å; K183-G185 PolarHBondContact O-N 2.89Å; G185-W187 PolarHBondContact O-N 3.28Å |
| 186 | E | 55.1 | Low | 66.8 | Low | 156 Ų | 156 | 138.1 Ų | 138.1 | 73% | 0.729 | 66% | 0.662 | S | S | * | * | | | trans | -57.5 | 113.4 | 163.1 | -174.9 | -179.6 | -119.1 | 0 | 0 | 108 | Q184 I188 | Q184-E186 PolarHBondContact O-N 3.49Å; E186-I188 PolarHBondContact O-N 3.28Å |
| 187 | W | 53.9 | Low | 64.7 | Low | 241 Ų | 241 | 144.6 Ų | 144.6 | 91% | 0.913 | 68% | 0.68 | S | S | * | * | | | trans | -69.4 | 80.4 | -178.4 | -80.1 | 82.6 | 0 | 0 | 0 | 110.2 | G185 V189 | G185-W187 PolarHBondContact O-N 3.28Å; W187-V189 VanDerWaalsContact C-N 3.3Å; W187-V189 PolarHBondContact O-N 3.46Å |
| 188 | I | 51 | Low | 62.8 | Low | 119 Ų | 119 | 150.1 Ų | 150.1 | 61% | 0.61 | 70% | 0.7 | S | S | * | * | | | trans | -61.3 | 97.3 | 170.7 | -56.9 | 176.4 | 0 | 0 | 0 | 106.9 | E186 K190 | E186-I188 PolarHBondContact O-N 3.28Å; I188-K190 HydrophobicContact CG2-CG 4.04Å; I188-K190 PolarHBondContact O-N 3.34Å |
| 189 | V | 67.1 | Low | 60.7 | Low | 131 Ų | 131 | 155.2 Ų | 155.2 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | | | trans | -64.2 | 82.8 | 168.8 | -177.6 | 0 | 0 | 0 | 0 | 107.2 | W187 E191 | W187-V189 VanDerWaalsContact C-N 3.3Å; W187-V189 PolarHBondContact O-N 3.46Å; V189-E191 VanDerWaalsContact C-N 3.27Å; V189-E191 PolarHBondContact O-N 3.39Å |
| 190 | K | 55.8 | Low | 58.2 | Low | 169 Ų | 169 | 157.7 Ų | 157.7 | 74% | 0.735 | 74% | 0.742 | S | S | * | * | | | trans | -63.3 | 95.2 | 169.4 | -79.7 | 174.8 | 178.6 | 158.4 | 0 | 106.5 | I188 V192 | I188-K190 HydrophobicContact CG2-CG 4.04Å; I188-K190 PolarHBondContact O-N 3.34Å; K190-V192 VanDerWaalsContact C-N 3.31Å; K190-V192 WeakPolarHBondContact O-CG2 3.43Å; K190-V192 PolarHBondContact O-N 3.1Å |
| 191 | E | 58.2 | Low | 56.4 | Low | 135 Ų | 135 | 156.3 Ų | 156.3 | 63% | 0.631 | 74% | 0.744 | S | S | * | * | | | trans | -50.4 | 103.3 | 159.2 | -79.9 | -164.1 | 159 | 0 | 0 | 107.5 | V189 R193 | V189-E191 VanDerWaalsContact C-N 3.27Å; V189-E191 PolarHBondContact O-N 3.39Å; E191-R193 PolarHBondContact O-N 3.45Å; E191-R193 IonicContact OE1-NH1 3.36Å; E191-R193 PolarHBondContact OE1-NH1 3.31Å; E191-R193 IonicContact OE2-CZ 3.71Å; E191-R193 IonicContact OE2-NH1 2.63Å; E191-R193 PolarHBondContact OE2-NH1 3.27Å |
| 192 | V | 49.9 | Very low | 54.8 | Low | 132 Ų | 132 | 159.3 Ų | 159.3 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | | | trans | -76.8 | 67.3 | 172.5 | -171.9 | 0 | 0 | 0 | 0 | 107.5 | K190 K194 | K190-V192 VanDerWaalsContact C-N 3.31Å; K190-V192 WeakPolarHBondContact O-CG2 3.43Å; K190-V192 PolarHBondContact O-N 3.1Å; V192-K194 PolarHBondContact O-N 3.3Å |
| 193 | R | 55 | Low | 53.8 | Low | 193 Ų | 193 | 159.6 Ų | 159.6 | 73% | 0.728 | 77% | 0.771 | S | S | * | * | | | trans | -58.4 | 93.8 | 165.2 | -99.3 | 179.6 | 151.2 | 96.3 | -1.5 | 106.7 | E191 N195 | E191-R193 PolarHBondContact O-N 3.45Å; E191-R193 IonicContact OE1-NH1 3.36Å; E191-R193 PolarHBondContact OE1-NH1 3.31Å; E191-R193 IonicContact OE2-CZ 3.71Å; E191-R193 IonicContact OE2-NH1 2.63Å; E191-R193 PolarHBondContact OE2-NH1 3.27Å; R193-N195 VanDerWaalsContact C-N 3.28Å; R193-N195 PolarHBondContact O-N 3.22Å |
| 194 | K | 57.3 | Low | 53.2 | Low | 193 Ų | 193 | 157.7 Ų | 157.7 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | | | trans | -56.7 | 81.1 | -170.4 | -174.8 | 175.5 | -177.9 | 171.4 | 0 | 111.1 | V192 R196 | V192-K194 PolarHBondContact O-N 3.3Å; K194-R196 PolarHBondContact O-N 3.29Å |
| 195 | N | 50.4 | Low | 52.9 | Low | 149 Ų | 149 | 157.5 Ų | 157.5 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | | | trans | -67.6 | 96.2 | -173.7 | -170.3 | -8.2 | 0 | 0 | 0 | 109.6 | R193 R197 | R193-N195 VanDerWaalsContact C-N 3.28Å; R193-N195 PolarHBondContact O-N 3.22Å; N195-R197 VanDerWaalsContact C-N 3.29Å; N195-R197 PolarHBondContact O-N 3.31Å |
| 196 | R | 53.5 | Low | 52.8 | Low | 222 Ų | 222 | 160.6 Ų | 160.6 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | -71.4 | 81.6 | -173.6 | -175.8 | -179 | 179 | 175.3 | 0.1 | 109.5 | K194 R198 | K194-R196 PolarHBondContact O-N 3.29Å; R196-R198 PolarHBondContact O-N 2.89Å |
| 197 | R | 52.8 | Low | 52.3 | Low | 223 Ų | 223 | 161.4 Ų | 161.4 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | | | trans | -45.8 | 107.1 | 170.7 | -75.1 | -174.8 | 172.7 | -175.4 | -2.1 | 109.4 | N195 N199 | N195-R197 VanDerWaalsContact C-N 3.29Å; N195-R197 PolarHBondContact O-N 3.31Å; R197-N199 PolarHBondContact O-N 3.27Å |
| 198 | R | 56.8 | Low | 51.6 | Low | 233 Ų | 233 | 153.8 Ų | 153.8 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 120 | 160.9 | -74.9 | -178.6 | 172.5 | 173.9 | -2.5 | 106 | R196 | R196-R198 PolarHBondContact O-N 2.89Š|
| 199 | N | 53.7 | Low | 51.3 | Low | 145 Ų | 145 | 156.4 Ų | 156.4 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 138.2 | 173 | -73.4 | -10.3 | 0 | 0 | 0 | 109.3 | R197 V201 | R197-N199 PolarHBondContact O-N 3.27Å; N199-V201 PolarHBondContact O-N 3.47Å |
| 200 | N | 45.1 | Very low | 50.1 | Low | 161 Ų | 161 | 153.8 Ų | 153.8 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 131.5 | 171.8 | -67.7 | -21 | 0 | 0 | 0 | 109.7 | | |
| 201 | V | 54.6 | Low | 49.6 | Very low | 134 Ų | 134 | 152.2 Ų | 152.2 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 125.6 | 159.4 | 176.3 | 0 | 0 | 0 | 0 | 106.4 | N199 | N199-V201 PolarHBondContact O-N 3.47Š|
| 202 | A | 44.7 | Very low | 49 | Very low | 96 Ų | 96 | 154.3 Ų | 154.3 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | | | trans | -123.9 | 94.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 203 | T | 45.4 | Very low | 48.6 | Very low | 107 Ų | 107 | 151.6 Ų | 151.6 | 66% | 0.656 | 80% | 0.8 | S | S | * | * | | | trans | -164.1 | 137.3 | 173 | 33 | 0 | 0 | 0 | 0 | 105.5 | | |
| 204 | D | 47.1 | Very low | 48.2 | Very low | 151 Ų | 151 | 149.1 Ų | 149.1 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | | | cis | -139.1 | 167 | 13.5 | -86.1 | -53.7 | 0 | 0 | 0 | 113.7 | | |
| 205 | N | 45.3 | Very low | 47.6 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | | | trans | -87.1 | 134.3 | 171 | -69.3 | -39.8 | 0 | 0 | 0 | 111.7 | | |
| 206 | S | 55.6 | Low | 47.4 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | | | trans | -150.3 | 127.6 | 153.8 | 61.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 207 | N | 44.5 | Very low | 46.9 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | | | trans | -72.8 | 151.1 | -178.6 | -47.7 | -61.8 | 0 | 0 | 0 | 112 | | |
| 208 | G | 39.9 | Very low | 46.5 | Very low | 81 Ų | 81 | 137.3 Ų | 137.3 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | | | trans | -169.7 | 76 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 209 | L | 45 | Very low | 45.9 | Very low | 174 Ų | 174 | 130.3 Ų | 130.3 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | | | trans | -33.3 | 135.7 | 174.4 | -78 | 144.1 | 0 | 0 | 0 | 119.3 | | |
| 210 | A | 42.3 | Very low | 45.6 | Very low | 76 Ų | 76 | 131.7 Ų | 131.7 | 63% | 0.628 | 77% | 0.771 | S | S | * | * | | | | 81.2 | 123.4 | 127.8 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 211 | N | 44.7 | Very low | 45.5 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | trans | 73.9 | 119 | 132.5 | -64.5 | -7.6 | 0 | 0 | 0 | 122.7 | | |
| 212 | Q | 44.9 | Very low | 45.1 | Very low | 180 Ų | 180 | 126.2 Ų | 126.2 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | | | trans | 66.6 | 149.4 | 140.1 | -61.9 | 179.2 | 23.5 | 0 | 0 | 118.9 | | |
| 213 | A | 42.9 | Very low | 45.1 | Very low | 74 Ų | 74 | 128.7 Ų | 128.7 | 61% | 0.612 | 76% | 0.756 | S | S | * | * | | | cis | -167.8 | 165 | -23.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 214 | N | 45.7 | Very low | 45.4 | Very low | 141 Ų | 141 | 132 Ų | 132 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | | | trans | 68.3 | 134.8 | 149.4 | -83.4 | -9.6 | 0 | 0 | 0 | 122.3 | | |
| 215 | I | 44.7 | Very low | 45.5 | Very low | 146 Ų | 146 | 132.5 Ų | 132.5 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | | | trans | 75.3 | 139.4 | 131.9 | -70.5 | 171.5 | 0 | 0 | 0 | 119 | | |
| 216 | V | 45.5 | Very low | 45.7 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 68% | 0.679 | 75% | 0.754 | S | S | * | * | | | cis | -170.8 | 164.9 | -22.2 | 79.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 217 | K | 43 | Very low | 45 | Very low | 181 Ų | 181 | 127 Ų | 127 | 79% | 0.787 | 75% | 0.753 | S | S | * | * | | | trans | 69.5 | 133 | 168.3 | -74.4 | 168.2 | -174.1 | 177 | 0 | 116.2 | | |
| 218 | S | 44.7 | Very low | 44.8 | Very low | 100 Ų | 100 | 125.5 Ų | 125.5 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | | | | 82.3 | 145.4 | 58.2 | 101.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 219 | S | 45.7 | Very low | 45.3 | Very low | 87 Ų | 87 | 128.8 Ų | 128.8 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | | | cis | -170.8 | 175.2 | 7.5 | 22.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 220 | Q | 46.4 | Very low | 45.1 | Very low | 173 Ų | 173 | 127.3 Ų | 127.3 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | | | trans | 72.7 | 153.9 | 155.7 | -81.7 | -179 | -85.3 | 0 | 0 | 119.7 | | |
| 221 | T | 43.2 | Very low | 45 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | cis | -167.3 | 167.8 | -29.2 | 14.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 222 | G | 45.3 | Very low | 44.8 | Very low | 58 Ų | 58 | 127.8 Ų | 127.8 | 60% | 0.598 | 76% | 0.756 | S | S | * | * | | | trans | 110.4 | 123.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 223 | D | 46.2 | Very low | 45 | Very low | 149 Ų | 149 | 127.1 Ų | 127.1 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | | | cis | 69.9 | 137 | 30.8 | -38.1 | -44.5 | 0 | 0 | 0 | 111.9 | | |
| 224 | E | 50.2 | Low | 45.2 | Very low | 177 Ų | 177 | 129.1 Ų | 129.1 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | | | cis | -166.4 | 162.4 | -4.4 | -113.6 | -175.3 | 151.8 | 0 | 0 | 106.5 | | |
| 225 | E | 49.8 | Very low | 45.3 | Very low | 161 Ų | 161 | 130.1 Ų | 130.1 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | | | cis | -163.6 | 169 | -15.3 | -140.4 | -60.9 | 85.3 | 0 | 0 | 108.1 | | |
| 226 | A | 48.5 | Very low | 45.6 | Very low | 88 Ų | 88 | 132 Ų | 132 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | 71.1 | 148.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 227 | G | 41.8 | Very low | 45.8 | Very low | 77 Ų | 77 | 133.1 Ų | 133.1 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | | | trans | 157.4 | 48.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | V229 | G227-V229 PolarHBondContact O-N 3.12Š|
| 228 | T | 40.6 | Very low | 46.1 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 87% | 0.871 | 77% | 0.768 | S | S | * | * | | | trans | -71 | 120.1 | 177.6 | -51 | 0 | 0 | 0 | 0 | 113.5 | | |
| 229 | V | 49.9 | Very low | 46.5 | Very low | 150 Ų | 150 | 132 Ų | 132 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | | | trans | -158.3 | 169.4 | 148.7 | -109.2 | 0 | 0 | 0 | 0 | 112.7 | G227 | G227-V229 PolarHBondContact O-N 3.12Š|
| 230 | D | 41.3 | Very low | 46.6 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | | | trans | -103.8 | 154.5 | -157.6 | -139.6 | -44.3 | 0 | 0 | 0 | 115.2 | | |
| 231 | S | 39.6 | Very low | 46.6 | Very low | 100 Ų | 100 | 132.3 Ų | 132.3 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | | | trans | 48.6 | 146.9 | 146.9 | -73.4 | 0 | 0 | 0 | 0 | 124.5 | | |
| 232 | S | 41 | Very low | 46.6 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | | | trans | 104.3 | 151.8 | 153.8 | 80.1 | 0 | 0 | 0 | 0 | 120.4 | | |
| 233 | L | 48.1 | Very low | 46.8 | Very low | 165 Ų | 165 | 134 Ų | 134 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | | | trans | -89 | 175.3 | -176.3 | -67.3 | 165.7 | 0 | 0 | 0 | 109.9 | | |
| 234 | P | 47.6 | Very low | 46.8 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | | | cis | -153.1 | 168 | 25.7 | 44.5 | -23 | 0 | 0 | 0 | 121.1 | | |
| 235 | L | 47.5 | Very low | 46.7 | Very low | 163 Ų | 163 | 132.6 Ų | 132.6 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | | | trans | 32.8 | 110.3 | 135.8 | -162.3 | 78.1 | 0 | 0 | 0 | 122.2 | | |
| 236 | K | 51.9 | Low | 46.4 | Very low | 184 Ų | 184 | 135.7 Ų | 135.7 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | | | trans | -170.7 | 153.6 | 158.8 | -127.1 | 58.9 | -162.1 | 177.6 | 0 | 109.9 | | |
| 237 | D | 49.3 | Very low | 46 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | cis | -149.8 | -168.8 | -12.1 | -143 | -34.5 | 0 | 0 | 0 | 111.2 | | |
| 238 | M | 48.8 | Very low | 46 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | | | trans | -104.3 | -179.1 | 177.5 | -129.5 | -177.9 | 68.5 | 0 | 0 | 112.5 | T240 | M238-T240 HydrophobicContact CE-CG2 3.97Š|
| 239 | P | 53.8 | Low | 46.2 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | | | cis | -145.4 | -177.9 | 48.7 | 41 | -18.7 | 0 | 0 | 0 | 118.3 | | |
| 240 | T | 47.6 | Very low | 45.8 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 62% | 0.62 | 79% | 0.787 | S | S | * | * | | | trans | -104.9 | 156.6 | -176.8 | 46.5 | 0 | 0 | 0 | 0 | 114.8 | M238 | M238-T240 HydrophobicContact CE-CG2 3.97Š|
| 241 | N | 45.8 | Very low | 45.9 | Very low | 164 Ų | 164 | 127.7 Ų | 127.7 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | | | trans | -169 | 127.5 | 143.3 | -88.6 | -40.7 | 0 | 0 | 0 | 107.4 | | |
| 242 | G | 43.1 | Very low | 46.2 | Very low | 72 Ų | 72 | 135.1 Ų | 135.1 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | | | | 98.7 | 153.7 | 79.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 243 | I | 49.5 | Very low | 46.2 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | | | cis | -165.9 | 143 | -11.2 | -132.6 | 166 | 0 | 0 | 0 | 108.7 | | |
| 244 | Q | 46.8 | Very low | 46.2 | Very low | 153 Ų | 153 | 137 Ų | 137 | 72% | 0.715 | 79% | 0.793 | S | S | * | * | | | trans | 63.7 | 168.1 | 161.9 | -66.2 | 177 | 30.2 | 0 | 0 | 117.9 | | |
| 245 | Q | 48.5 | Very low | 46 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 67% | 0.673 | 79% | 0.788 | S | S | * | * | | | cis | -149.6 | -178.5 | -4.4 | -133.3 | -176.7 | 92.3 | 0 | 0 | 112.4 | | |
| 246 | R | 44.2 | Very low | 46.1 | Very low | 226 Ų | 226 | 139 Ų | 139 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | | | trans | -26.4 | 151.1 | 168 | -58.9 | 159.8 | -179.2 | -128.6 | -2.1 | 116.1 | | |
| 247 | G | 39 | Very low | 45.6 | Very low | 84 Ų | 84 | 133.2 Ų | 133.2 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | | | cis | 118.3 | 125.7 | 15.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 248 | G | 42.3 | Very low | 45.5 | Very low | 85 Ų | 85 | 138.8 Ų | 138.8 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | | | trans | -175 | 152.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 249 | A | 45.5 | Very low | 45.2 | Very low | 114 Ų | 114 | 136 Ų | 136 | 94% | 0.942 | 80% | 0.803 | S | S | * | * | | | trans | -145.4 | 150 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 250 | G | 41.2 | Very low | 44.8 | Very low | 81 Ų | 81 | 141.7 Ų | 141.7 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | | | trans | 121 | 163 | 164.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 251 | G | 42.9 | Very low | 44.4 | Very low | 68 Ų | 68 | 142.3 Ų | 142.3 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | | | trans | 97.4 | 103.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 252 | R | 45.2 | Very low | 44.5 | Very low | 256 Ų | 256 | 141.7 Ų | 141.7 | 97% | 0.966 | 81% | 0.813 | S | S | * | * | | | | 47.3 | 113.2 | 60.2 | -49.7 | -179.1 | -179.7 | -170.9 | 1.3 | 110.6 | | |
| 253 | G | 41.5 | Very low | 44.5 | Very low | 64 Ų | 64 | 143.8 Ų | 143.8 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | | | cis | 143.1 | -174.4 | 9.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 254 | R | 48.4 | Very low | 44.1 | Very low | 264 Ų | 264 | 139.6 Ų | 139.6 | 100% | 0.996 | 81% | 0.808 | S | S | * | * | | | trans | 72.7 | 145.1 | -171 | -44.5 | 164.7 | 179.3 | -176.3 | -0.6 | 112.2 | | |
| 255 | G | 44.2 | Very low | 44 | Very low | 62 Ų | 62 | 143 Ų | 143 | 64% | 0.639 | 82% | 0.82 | S | S | * | * | | | cis | 145.1 | 155 | -7.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 256 | R | 47.7 | Very low | 43.7 | Very low | 258 Ų | 258 | 139.2 Ų | 139.2 | 97% | 0.974 | 82% | 0.821 | S | S | * | * | | | trans | 74.8 | 139.3 | -171.8 | -48.3 | 169.5 | 178.1 | -170.3 | -2 | 112.8 | | |
| 257 | G | 42.6 | Very low | 43.8 | Very low | 63 Ų | 63 | 141 Ų | 141 | 65% | 0.649 | 83% | 0.827 | S | S | * | * | | | cis | 122.7 | 144.9 | -4.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 258 | R | 46.4 | Very low | 44 | Very low | 254 Ų | 254 | 140.6 Ų | 140.6 | 96% | 0.958 | 82% | 0.824 | S | S | * | * | | | trans | 73.4 | 124.9 | -159.8 | -49.8 | 168.8 | 178.2 | -174.5 | -2.2 | 111.2 | | |
| 259 | G | 42.6 | Very low | 44.1 | Very low | 75 Ų | 75 | 142.1 Ų | 142.1 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | | | cis | 97.9 | 106.8 | -6.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 260 | R | 45.5 | Very low | 44.1 | Very low | 244 Ų | 244 | 141.7 Ų | 141.7 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | | | trans | -161.8 | 135.1 | 157.9 | -111.9 | 177.2 | -175.3 | -159.2 | -1.1 | 109.9 | | |
| 261 | S | 39.9 | Very low | 44.3 | Very low | 115 Ų | 115 | 146 Ų | 146 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | -122.2 | 119.6 | 175.6 | 51.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 262 | L | 47.5 | Very low | 44.5 | Very low | 150 Ų | 150 | 154.1 Ų | 154.1 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | | | trans | -142.1 | 134.9 | 158.9 | -76.8 | 103.7 | 0 | 0 | 0 | 106.1 | | |
| 263 | S | 42.6 | Very low | 44.4 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | cis | 80.8 | 98.2 | 37.4 | -174.8 | 0 | 0 | 0 | 0 | 114 | | |
| 264 | G | 42.2 | Very low | 44.6 | Very low | 54 Ų | 54 | 151 Ų | 151 | 56% | 0.557 | 81% | 0.807 | S | S | * | * | | | trans | 135.1 | 132.7 | 149.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 265 | F | 44.3 | Very low | 44.4 | Very low | 224 Ų | 224 | 142.6 Ų | 142.6 | 98% | 0.982 | 79% | 0.789 | S | S | * | * | | | trans | 66.1 | 143.1 | 157.7 | -46.4 | -81.2 | 0 | 0 | 0 | 117.7 | | |
| 266 | G | 42.6 | Very low | 44.7 | Very low | 66 Ų | 66 | 146 Ų | 146 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | | | cis | -155.5 | 148 | -6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 267 | R | 45.6 | Very low | 44.8 | Very low | 263 Ų | 263 | 140 Ų | 140 | 99% | 0.992 | 79% | 0.785 | S | S | * | * | | | | 66.2 | 120 | 99.2 | -88.8 | -172.5 | 170.4 | -114.7 | 0.7 | 116.1 | | |
| 268 | G | 44.4 | Very low | 44.8 | Very low | 76 Ų | 76 | 148.8 Ų | 148.8 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | | | trans | 127.6 | 99 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 269 | S | 43.4 | Very low | 44.7 | Very low | 116 Ų | 116 | 147.9 Ų | 147.9 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | | | cis | 108.1 | 148.2 | 18.4 | -158.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 270 | S | 44.5 | Very low | 44.8 | Very low | 106 Ų | 106 | 150.1 Ų | 150.1 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | | | trans | 74.1 | 109.1 | -166.2 | -147 | 0 | 0 | 0 | 0 | 112.8 | | |
| 271 | E | 47.4 | Very low | 45 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | | | cis | 82.4 | 103.5 | 33.6 | -55.3 | 178.9 | 176.5 | 0 | 0 | 115.6 | | |
| 272 | R | 45.5 | Very low | 45.2 | Very low | 238 Ų | 238 | 147.7 Ų | 147.7 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | | | | -178.9 | 119.4 | 124.1 | -100.2 | -178.8 | 161.1 | 158.7 | -3.2 | 108.9 | | |
| 273 | S | 43.9 | Very low | 45.2 | Very low | 81 Ų | 81 | 148.6 Ų | 148.6 | 57% | 0.566 | 79% | 0.791 | S | S | * | * | | | | 76.6 | 108.8 | 85.6 | -68 | 0 | 0 | 0 | 0 | 111.8 | | |
| 274 | E | 46.5 | Very low | 45.4 | Very low | 173 Ų | 173 | 154.6 Ų | 154.6 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | | | | 83.9 | 145.5 | 74.7 | -78.5 | 165.4 | 119.6 | 0 | 0 | 112.4 | | |
| 275 | S | 43.6 | Very low | 45.5 | Very low | 89 Ų | 89 | 156 Ų | 156 | 62% | 0.622 | 80% | 0.802 | S | S | * | * | | | cis | -166.1 | -176 | -5.2 | 52.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 276 | T | 50.3 | Low | 45.8 | Very low | 133 Ų | 133 | 152.1 Ų | 152.1 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | | | trans | 72 | 155 | 174.2 | 80.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 277 | N | 49 | Very low | 45.8 | Very low | 133 Ų | 133 | 153.7 Ų | 153.7 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | | | cis | -137 | 131.5 | 8.8 | -168.4 | -1.3 | 0 | 0 | 0 | 111.4 | | |
| 278 | R | 42.7 | Very low | 45.8 | Very low | 247 Ų | 247 | 152.2 Ų | 152.2 | 93% | 0.932 | 79% | 0.792 | S | S | * | * | | | trans | -127.9 | 115.4 | 171.2 | -86.4 | -171 | 175.3 | -172.5 | -0.5 | 109.2 | | |
| 279 | R | 45.2 | Very low | 46 | Very low | 234 Ų | 234 | 155 Ų | 155 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | -149 | 162.7 | 168 | -89 | -171.6 | 174.1 | 175 | -0.9 | 110.5 | | |
| 280 | S | 43.7 | Very low | 46.2 | Very low | 123 Ų | 123 | 155.1 Ų | 155.1 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | 73.9 | 127.8 | -175.2 | -157.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 281 | A | 49.4 | Very low | 46.1 | Very low | 89 Ų | 89 | 153.9 Ų | 153.9 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | | | cis | -161.6 | 175.3 | -14.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 282 | R | 45.2 | Very low | 45.8 | Very low | 219 Ų | 219 | 149.1 Ų | 149.1 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | | | trans | 83.3 | 74.8 | 149 | -145.5 | 173.8 | -152.1 | 173 | 6.4 | 120.2 | | |
| 283 | E | 47.8 | Very low | 45.8 | Very low | 169 Ų | 169 | 148.1 Ų | 148.1 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | | 30.8 | 119.1 | 117.2 | -55.3 | 171.7 | 121 | 0 | 0 | 120 | | |
| 284 | R | 46.3 | Very low | 46.1 | Very low | 242 Ų | 242 | 154.2 Ų | 154.2 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | | | | -153 | 145.9 | 112.5 | -111.3 | -179.8 | -173.9 | 87.5 | -3.6 | 110.5 | | |
| 285 | A | 45.2 | Very low | 46.4 | Very low | 83 Ų | 83 | 157.9 Ų | 157.9 | 69% | 0.686 | 81% | 0.808 | S | S | * | * | | | trans | -116.5 | -174.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 286 | T | 49.6 | Very low | 46.7 | Very low | 144 Ų | 144 | 159.6 Ų | 159.6 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | | | trans | 75.6 | 149 | 176.7 | 77.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 287 | S | 43.7 | Very low | 46.7 | Very low | 99 Ų | 99 | 157.9 Ų | 157.9 | 69% | 0.692 | 82% | 0.817 | S | S | * | * | | | cis | -167.9 | 168.6 | -25.6 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 288 | R | 45.2 | Very low | 46.6 | Very low | 231 Ų | 231 | 159.4 Ų | 159.4 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | | | trans | 76.1 | 145.9 | 170.2 | -51.4 | 174.8 | -177.9 | 165.6 | 1 | 116 | | |
| 289 | V | 47.7 | Very low | 46.7 | Very low | 136 Ų | 136 | 151.5 Ų | 151.5 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | | | cis | 152 | 135.1 | -31 | 153.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 290 | S | 47 | Very low | 46.9 | Very low | 118 Ų | 118 | 152.3 Ų | 152.3 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | | | trans | 81.7 | 128.3 | 161.5 | -159 | 0 | 0 | 0 | 0 | 120.4 | | |
| 291 | G | 42.9 | Very low | 47 | Very low | 79 Ų | 79 | 149.9 Ų | 149.9 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | | | trans | 84.7 | 134.1 | 149.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 292 | G | 42 | Very low | 46.9 | Very low | 72 Ų | 72 | 156 Ų | 156 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | | | cis | 147.5 | 152.4 | -14.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 293 | R | 45.5 | Very low | 47.1 | Very low | 216 Ų | 216 | 154.9 Ų | 154.9 | 82% | 0.815 | 82% | 0.817 | S | S | * | * | | | trans | 84.5 | 115.4 | 165.2 | -61 | -174.7 | 171.8 | -159.2 | -1.5 | 120.3 | | |
| 294 | R | 49.3 | Very low | 47 | Very low | 209 Ų | 209 | 156.5 Ų | 156.5 | 79% | 0.789 | 82% | 0.822 | S | S | * | * | | | | 78.2 | 86.7 | 128.2 | -64.9 | 176.2 | -179.6 | -156.5 | -2.8 | 121.1 | | |
| 295 | R | 52.6 | Low | 46.9 | Very low | 250 Ų | 250 | 148.6 Ų | 148.6 | 94% | 0.943 | 82% | 0.816 | S | S | * | * | | | | 51.7 | 155.1 | 110.9 | -84.4 | -168.5 | 175.4 | 174.7 | -0.2 | 122.1 | | |
| 296 | P | 49.5 | Very low | 46.9 | Very low | 125 Ų | 125 | 148.1 Ų | 148.1 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | | | trans | -101.9 | 178.8 | -162.4 | 42.3 | -38.2 | 0 | 0 | 0 | 115.3 | | |
| 297 | A | 50.5 | Low | 46.6 | Very low | 97 Ų | 97 | 151.6 Ų | 151.6 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | | | trans | -144.7 | 157.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 298 | D | 48.4 | Very low | 46.6 | Very low | 166 Ų | 166 | 157 Ų | 157 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | | | trans | -80.2 | 156.1 | -171.9 | -62.7 | -97.6 | 0 | 0 | 0 | 115.6 | | |
| 299 | G | 44.9 | Very low | 46.8 | Very low | 80 Ų | 80 | 152.1 Ų | 152.1 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | | | trans | -156.3 | 93.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 300 | R | 48.8 | Very low | 46.7 | Very low | 251 Ų | 251 | 152 Ų | 152 | 95% | 0.947 | 82% | 0.818 | S | S | * | * | | | trans | -91 | 117.8 | 177.7 | -67.3 | 179 | 179 | 176.7 | 0.2 | 112 | | |
| 301 | G | 46 | Very low | 46.6 | Very low | 72 Ų | 72 | 156.1 Ų | 156.1 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | | | trans | -173.2 | 85.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 302 | R | 47.8 | Very low | 46.6 | Very low | 218 Ų | 218 | 161.3 Ų | 161.3 | 82% | 0.823 | 82% | 0.823 | S | S | * | * | | | | 60.1 | 98.5 | 80 | -77.2 | -161.6 | 171.6 | -155.3 | -0.5 | 116.6 | | |
| 303 | R | 48.1 | Very low | 46.6 | Very low | 196 Ų | 196 | 163.6 Ų | 163.6 | 74% | 0.74 | 83% | 0.828 | S | S | * | * | | | trans | 89.6 | 145.5 | 141.7 | -61.1 | 178.6 | 167.3 | -170.3 | -5.2 | 119.2 | | |
| 304 | F | 45.7 | Very low | 46.5 | Very low | 202 Ų | 202 | 165.5 Ų | 165.5 | 89% | 0.886 | 84% | 0.836 | S | S | * | * | | | trans | 64.9 | 139.5 | 176.6 | -51.4 | -78.8 | 0 | 0 | 0 | 115.2 | | |
| 305 | G | 45.4 | Very low | 46 | Very low | 76 Ų | 76 | 158.9 Ų | 158.9 | 78% | 0.784 | 83% | 0.832 | S | S | * | * | | | cis | 177.4 | 147.3 | -8.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 306 | G | 44.4 | Very low | 45.6 | Very low | 74 Ų | 74 | 158.1 Ų | 158.1 | 76% | 0.763 | 83% | 0.83 | S | S | * | * | | | trans | 92.3 | 116.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 307 | R | 43.7 | Very low | 45.3 | Very low | 217 Ų | 217 | 159.3 Ų | 159.3 | 82% | 0.819 | 83% | 0.829 | S | S | * | * | | | cis | 88.1 | 108.3 | 46.6 | -78.6 | -164.7 | 167.7 | -155.8 | -0.9 | 114.2 | | |
| 308 | R | 44.1 | Very low | 45.1 | Very low | 212 Ų | 212 | 163.6 Ų | 163.6 | 80% | 0.8 | 83% | 0.832 | S | S | * | * | | | trans | 71.9 | 137.6 | 150.9 | -60.9 | 179.8 | 171.8 | -173.1 | -5.7 | 116.8 | | |
| 309 | T | 49.2 | Very low | 45 | Very low | 128 Ų | 128 | 165 Ų | 165 | 79% | 0.785 | 83% | 0.834 | S | S | * | * | | | cis | -156.2 | 133.6 | -14.8 | 5.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 310 | T | 45.6 | Very low | 45.3 | Very low | 135 Ų | 135 | 170.5 Ų | 170.5 | 83% | 0.828 | 84% | 0.835 | S | S | * | * | | | trans | -84.1 | 146.9 | 170.4 | 36.7 | 0 | 0 | 0 | 0 | 111.6 | H312 | T310-H312 PolarHBondContact O-N 3.32Š|
| 311 | F | 43.8 | Very low | 45.4 | Very low | 204 Ų | 204 | 166.9 Ų | 166.9 | 90% | 0.895 | 83% | 0.826 | S | S | * | * | | | trans | -57.7 | 123.7 | 171 | -83.1 | -115.9 | 0 | 0 | 0 | 110.7 | | |
| 312 | H | 43.5 | Very low | 46.2 | Very low | 187 Ų | 187 | 168.6 Ų | 168.6 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | | | trans | -165.9 | 82.8 | 162.9 | -110 | 73.7 | 0 | 0 | 0 | 112.2 | T310 | T310-H312 PolarHBondContact O-N 3.32Š|
| 313 | S | 42.7 | Very low | 46.8 | Very low | 121 Ų | 121 | 162.3 Ų | 162.3 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | | | trans | -148.8 | 124.8 | 163.4 | -67.3 | 0 | 0 | 0 | 0 | 105.9 | | |
| 314 | R | 43.5 | Very low | 47.4 | Very low | 256 Ų | 256 | 163 Ų | 163 | 97% | 0.966 | 82% | 0.816 | S | S | * | * | | | cis | 60.2 | 95.6 | 33.3 | -81.2 | -168.5 | 174 | -172.4 | -1.1 | 114.6 | | |
| 315 | G | 39.1 | Very low | 48 | Very low | 70 Ų | 70 | 159.6 Ų | 159.6 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | | | trans | 147.5 | 133.2 | 152.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 316 | R | 42.1 | Very low | 48.5 | Very low | 234 Ų | 234 | 157.5 Ų | 157.5 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | | | trans | 73.8 | 122 | 172.6 | -54.8 | -176.5 | -176.6 | -158.2 | -1.1 | 114.2 | | |
| 317 | N | 43.8 | Very low | 49.2 | Very low | 149 Ų | 149 | 164.4 Ų | 164.4 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | cis | 77.8 | 100.1 | 49.5 | -62.1 | 25.2 | 0 | 0 | 0 | 112.3 | | |
| 318 | E | 46.7 | Very low | 49.6 | Very low | 188 Ų | 188 | 161 Ų | 161 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | | | | -173.7 | 103.5 | 119.3 | -102.8 | 172.3 | -141.4 | 0 | 0 | 110.2 | K320 | E318-K320 PolarHBondContact O-N 3Š|
| 319 | E | 47.2 | Very low | 50.1 | Low | 195 Ų | 195 | 155.2 Ų | 155.2 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | | | trans | -87 | 108.4 | -179.3 | -68.4 | 176.4 | 132.4 | 0 | 0 | 111.2 | | |
| 320 | K | 50.4 | Low | 50.5 | Low | 196 Ų | 196 | 156.1 Ų | 156.1 | 85% | 0.852 | 77% | 0.767 | S | S | * | * | | | trans | -130.1 | 66.3 | 159.4 | -73.8 | -176.3 | -178.4 | 170.5 | 0 | 109.3 | E318 | E318-K320 PolarHBondContact O-N 3Š|
| 321 | F | 50.6 | Low | 50.9 | Low | 174 Ų | 174 | 157.2 Ų | 157.2 | 76% | 0.763 | 77% | 0.768 | S | S | * | * | | | trans | -83.3 | 121.2 | -178.9 | -164 | -110.4 | 0 | 0 | 0 | 110.4 | A323 A326 | F321-A323 PolarHBondContact O-N 3.33Å; F321-A326 HydrophobicContact CE1-CB 3.94Å |
| 322 | N | 62.4 | Low | 51.1 | Low | 109 Ų | 109 | 158.4 Ų | 158.4 | 58% | 0.583 | 77% | 0.767 | S | S | * | * | | | trans | -76.3 | 110.1 | -176.1 | -78.6 | -29.8 | 0 | 0 | 0 | 111.3 | W324 E325 | N322-W324 PolarHBondContact O-N 3.36Å; N322-E325 HydrophobicContact CB-CB 4.4Å; N322-E325 PolarHBondContact O-N 2.98Å; N322-E325 VanDerWaalsContact O-N 3.16Å |
| 323 | A | 61.8 | Low | 51 | Low | 86 Ų | 86 | 153.1 Ų | 153.1 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | H | α-helix | trans | -61.4 | -17.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | F321 | F321-A323 PolarHBondContact O-N 3.33Å |
| 324 | W | 60.1 | Low | 51.6 | Low | 210 Ų | 210 | 152.9 Ų | 152.9 | 80% | 0.795 | 76% | 0.761 | S | S | * | * | H | α-helix | trans | -71.8 | -45 | 175.3 | -171.6 | 58.9 | 0 | 0 | 0 | 112.2 | N322 A326 R327 | N322-W324 PolarHBondContact O-N 3.36Å; W324-A326 VanDerWaalsContact C-N 3.35Å; W324-A326 PolarHBondContact O-N 3.34Å; W324-R327 PolarHBondContact O-N 2.81Å; W324-R327 VanDerWaalsContact O-N 3.1Å |
| 325 | E | 57.4 | Low | 52 | Low | 131 Ų | 131 | 148.9 Ų | 148.9 | 61% | 0.612 | 76% | 0.759 | S | S | * | * | H | α-helix | trans | -67.5 | -36.1 | -177.6 | -166.1 | 169.8 | -163.3 | 0 | 0 | 111.7 | N322 R327 M328 S329 | N322-E325 HydrophobicContact CB-CB 4.4Å; N322-E325 PolarHBondContact O-N 2.98Å; N322-E325 VanDerWaalsContact O-N 3.16Å; E325-R327 VanDerWaalsContact C-N 3.25Å; E325-R327 PolarHBondContact O-N 3.01Å; E325-M328 PolarHBondContact O-N 3.31Å; E325-S329 PolarHBondContact O-N 3.04Å |
| 326 | A | 57.4 | Low | 52.5 | Low | 31 Ų | 31 | 149.1 Ų | 149.1 | 26% | 0.256 | 76% | 0.761 | S | S | . | * | H | α-helix | trans | -59.8 | -32.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | F321 W324 S329 | F321-A326 HydrophobicContact CE1-CB 3.94Å; W324-A326 VanDerWaalsContact C-N 3.35Å; W324-A326 PolarHBondContact O-N 3.34Å; A326-S329 PolarHBondContact O-N 2.84Å |
| 327 | R | 57.8 | Low | 52.7 | Low | 220 Ų | 220 | 148 Ų | 148 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | H | α-helix | trans | -77.5 | -27.5 | -176.1 | -155.8 | 175.5 | -174.2 | -164.8 | -0.6 | 112.7 | W324 E325 | W324-R327 PolarHBondContact O-N 2.81Å; W324-R327 VanDerWaalsContact O-N 3.1Å; E325-R327 VanDerWaalsContact C-N 3.25Å; E325-R327 PolarHBondContact O-N 3.01Å |
| 328 | M | 52.7 | Low | 52.6 | Low | 145 Ų | 145 | 144 Ų | 144 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | H | α-helix | trans | -73.9 | -28.5 | 171.4 | -71.6 | -67.6 | -171.6 | 0 | 0 | 112.9 | E325 | E325-M328 PolarHBondContact O-N 3.31Å |
| 329 | S | 55.2 | Low | 52.4 | Low | 91 Ų | 91 | 143.5 Ų | 143.5 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | H | α-helix | trans | -80 | -25 | -171.4 | -164 | 0 | 0 | 0 | 0 | 114.4 | E325 A326 N331 | E325-S329 PolarHBondContact O-N 3.04Å; A326-S329 PolarHBondContact O-N 2.84Å; S329-N331 PolarHBondContact O-N 3.49Å |
| 330 | L | 57.1 | Low | 52.3 | Low | 146 Ų | 146 | 138.4 Ų | 138.4 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -5.7 | -167.6 | -87.4 | 161.6 | 0 | 0 | 0 | 116.5 | | |
| 331 | N | 53.6 | Low | 52.1 | Low | 159 Ų | 159 | 137 Ų | 137 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 11.4 | -179.9 | -103.9 | 10.5 | 0 | 0 | 0 | 115 | S329 | S329-N331 PolarHBondContact O-N 3.49Š|
| 332 | R | 47.8 | Very low | 52.3 | Low | 229 Ų | 229 | 134.8 Ų | 134.8 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | | | trans | -111.6 | 83.3 | 172.9 | -69 | -169.9 | -179.5 | -146.9 | 0.6 | 110.9 | | |
| 333 | G | 42.2 | Very low | 51.8 | Low | 76 Ų | 76 | 141.3 Ų | 141.3 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | | | trans | -151 | 25.4 | -166.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 334 | S | 54.1 | Low | 51.2 | Low | 116 Ų | 116 | 148 Ų | 148 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -148.9 | 148.8 | 165.9 | -164.8 | 0 | 0 | 0 | 0 | 111.5 | G336 | S334-G336 PolarHBondContact O-N 2.92Š|
| 335 | N | 52.6 | Low | 50.3 | Low | 172 Ų | 172 | 142.9 Ų | 142.9 | 92% | 0.92 | 77% | 0.765 | S | S | * | * | | | trans | -89.1 | 106.3 | -166.4 | -64.6 | -39.9 | 0 | 0 | 0 | 112.4 | | |
| 336 | G | 49.2 | Very low | 49.7 | Very low | 74 Ų | 74 | 141.4 Ų | 141.4 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | | | trans | -115.4 | 129.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | S334 | S334-G336 PolarHBondContact O-N 2.92Š|
| 337 | Q | 45.8 | Very low | 49.3 | Very low | 210 Ų | 210 | 147.2 Ų | 147.2 | 98% | 0.981 | 80% | 0.802 | S | S | * | * | | | trans | -107.2 | 100.1 | -162.7 | -174.3 | 170.3 | -20.5 | 0 | 0 | 112.4 | | |
| 338 | G | 42.1 | Very low | 48.8 | Very low | 67 Ų | 67 | 144.1 Ų | 144.1 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | | | trans | 169.3 | 147.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 339 | H | 43.8 | Very low | 48.5 | Very low | 177 Ų | 177 | 143 Ų | 143 | 82% | 0.819 | 80% | 0.803 | S | S | * | * | | | trans | 60.5 | 71.1 | 153.2 | -142.7 | -63.6 | 0 | 0 | 0 | 119.2 | | |
| 340 | A | 45 | Very low | 48.3 | Very low | 87 Ų | 87 | 151.1 Ų | 151.1 | 72% | 0.719 | 82% | 0.82 | S | S | * | * | | | trans | -144 | 61.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 341 | D | 44.9 | Very low | 48 | Very low | 166 Ų | 166 | 151.2 Ų | 151.2 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | | | trans | -133.2 | 31.6 | 178.6 | -84.4 | -50.9 | 0 | 0 | 0 | 114.7 | | |
| 342 | I | 56.4 | Low | 47.6 | Very low | 129 Ų | 129 | 151 Ų | 151 | 66% | 0.662 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -117.7 | -26.8 | -178.3 | -63.4 | 177.1 | 0 | 0 | 0 | 113.6 | | |
| 343 | W | 52.1 | Low | 47.7 | Very low | 245 Ų | 245 | 145.4 Ų | 145.4 | 93% | 0.928 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -112.4 | 44 | -166.7 | -74.9 | 82.3 | 0 | 0 | 0 | 114.6 | | |
| 344 | R | 48.2 | Very low | 48.1 | Very low | 226 Ų | 226 | 151 Ų | 151 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -134.8 | 8.3 | -177.2 | -79.7 | -167.1 | 177.7 | -85.7 | 6.2 | 117.8 | | |
| 345 | S | 41.2 | Very low | 47.8 | Very low | 104 Ų | 104 | 150.3 Ų | 150.3 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | | | trans | -130 | 24.6 | -177.8 | -65.4 | 0 | 0 | 0 | 0 | 115.8 | N347 | S345-N347 PolarHBondContact O-N 3.28Š|
| 346 | A | 45.6 | Very low | 47.7 | Very low | 99 Ų | 99 | 151.2 Ų | 151.2 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 4.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 347 | N | 48.4 | Very low | 47.5 | Very low | 154 Ų | 154 | 151.3 Ų | 151.3 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | -4.5 | -168.5 | -95.3 | 62.7 | 0 | 0 | 0 | 116.4 | S345 | S345-N347 PolarHBondContact O-N 3.28Š|
| 348 | N | 47.4 | Very low | 47.7 | Very low | 155 Ų | 155 | 148.6 Ų | 148.6 | 83% | 0.829 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -135.3 | 50.8 | -172.6 | -80 | -5.5 | 0 | 0 | 0 | 113.4 | | |
| 349 | T | 45.3 | Very low | 47.9 | Very low | 121 Ų | 121 | 150.2 Ų | 150.2 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | | | trans | -150.5 | 80.5 | 173 | 24.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 350 | W | 51.1 | Low | 47.9 | Very low | 261 Ų | 261 | 150.1 Ų | 150.1 | 99% | 0.989 | 83% | 0.828 | S | S | * | * | | | trans | -139.4 | 36.5 | 171.9 | -120.1 | 50.4 | 0 | 0 | 0 | 110.2 | | |
| 351 | D | 51 | Low | 48 | Very low | 148 Ų | 148 | 149.8 Ų | 149.8 | 79% | 0.791 | 83% | 0.833 | S | S | * | * | | | trans | -115.3 | 137.4 | -175.6 | -153.6 | -14.6 | 0 | 0 | 0 | 110.5 | S353 | D351-S353 PolarHBondContact O-N 3.45Š|
| 352 | N | 46.6 | Very low | 47.9 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 83% | 0.834 | 83% | 0.829 | S | S | * | * | | | trans | -87.5 | 64.3 | -155 | -71.8 | -50.4 | 0 | 0 | 0 | 113.3 | | |
| 353 | S | 49.9 | Very low | 47.9 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 78% | 0.776 | 84% | 0.837 | S | S | * | * | | | trans | -125.6 | 32.1 | -166.9 | -137.9 | 0 | 0 | 0 | 0 | 116.2 | D351 | D351-S353 PolarHBondContact O-N 3.45Š|
| 354 | M | 50.4 | Low | 47.6 | Very low | 192 Ų | 192 | 138.8 Ų | 138.8 | 95% | 0.946 | 83% | 0.827 | S | S | * | * | | | trans | -126 | 15.8 | 168.3 | -80.7 | -165.2 | 162.7 | 0 | 0 | 114.3 | E356 | M354-E356 PolarHBondContact O-N 2.95Š|
| 355 | A | 46.1 | Very low | 47.6 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -85.7 | 34.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 356 | E | 50.4 | Low | 47.9 | Very low | 192 Ų | 192 | 137.2 Ų | 137.2 | 90% | 0.897 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -156.3 | 127.1 | 174.8 | -125.8 | 171.2 | -143.7 | 0 | 0 | 113.6 | M354 | M354-E356 PolarHBondContact O-N 2.95Š|
| 357 | G | 45.4 | Very low | 47.9 | Very low | 75 Ų | 75 | 137.4 Ų | 137.4 | 77% | 0.773 | 84% | 0.836 | S | S | * | * | | | trans | 83.6 | 71.3 | 144.9 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 358 | V | 51.4 | Low | 47.9 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 93% | 0.933 | 83% | 0.832 | S | S | * | * | | | trans | -133 | 137.1 | 136.2 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 359 | S | 46.3 | Very low | 48.1 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 71% | 0.706 | 84% | 0.835 | S | S | * | * | | | trans | -137.4 | 147.7 | -166.1 | -150.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 360 | L | 43.7 | Very low | 48 | Very low | 174 Ų | 174 | 137.1 Ų | 137.1 | 91% | 0.911 | 84% | 0.842 | S | S | * | * | | | trans | 66.4 | 133 | 162.3 | -63.7 | 164.6 | 0 | 0 | 0 | 119.1 | | |
| 361 | G | 45.3 | Very low | 48.1 | Very low | 80 Ų | 80 | 132.3 Ų | 132.3 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | | | trans | 166 | 48.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 362 | A | 42.9 | Very low | 47.9 | Very low | 98 Ų | 98 | 133.4 Ų | 133.4 | 81% | 0.81 | 83% | 0.828 | S | S | * | * | | | trans | -130.8 | 135.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 363 | P | 57.8 | Low | 48.1 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 81% | 0.812 | 83% | 0.833 | S | S | * | * | | | trans | -106.3 | 152.6 | 142.7 | 35.2 | -24.8 | 0 | 0 | 0 | 109.2 | | |
| 364 | A | 45.5 | Very low | 48.1 | Very low | 87 Ų | 87 | 135.4 Ų | 135.4 | 72% | 0.719 | 83% | 0.83 | S | S | * | * | | | cis | 157.6 | 152.7 | -5 | 0 | 0 | 0 | 0 | 0 | 104.3 | | |
| 365 | E | 48.1 | Very low | 48.3 | Very low | 197 Ų | 197 | 134 Ų | 134 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | | | trans | 67.3 | 81.4 | 168.3 | -55.3 | -170.5 | 170.1 | 0 | 0 | 119.7 | | |
| 366 | A | 47.3 | Very low | 48.8 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | | | trans | 178.3 | 83.7 | 140.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 367 | A | 46.2 | Very low | 49.1 | Very low | 103 Ų | 103 | 135.3 Ų | 135.3 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | | | | 78.8 | 88.3 | 85.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 368 | A | 47.9 | Very low | 49.5 | Very low | 88 Ų | 88 | 141.7 Ų | 141.7 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | | | trans | 57.1 | 106 | 150.9 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 369 | N | 52.1 | Low | 49.9 | Very low | 167 Ų | 167 | 140.8 Ų | 140.8 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | | | | -179.8 | 104.5 | 106.5 | -89.6 | -40.2 | 0 | 0 | 0 | 111.2 | | |
| 370 | D | 42.7 | Very low | 50.5 | Low | 169 Ų | 169 | 141.9 Ų | 141.9 | 90% | 0.904 | 80% | 0.801 | S | S | * | * | | | trans | -104.4 | 121.2 | 171.4 | -86 | -55.3 | 0 | 0 | 0 | 110.9 | | |
| 371 | E | 52.6 | Low | 51.2 | Low | 159 Ų | 159 | 143.5 Ų | 143.5 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | | | trans | -162.9 | 136.4 | 149.8 | -124.4 | -171.9 | -124 | 0 | 0 | 110.9 | | |
| 372 | K | 48.6 | Very low | 52 | Low | 171 Ų | 171 | 144.7 Ų | 144.7 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | trans | 65.4 | 71.5 | 168.4 | -58.9 | 167.2 | -173.3 | 139.9 | 0 | 117.4 | | |
| 373 | L | 48.8 | Very low | 52.8 | Low | 177 Ų | 177 | 148.3 Ų | 148.3 | 93% | 0.927 | 79% | 0.787 | S | S | * | * | | | trans | -101 | 108.4 | 146.2 | -94.4 | 163.9 | 0 | 0 | 0 | 109.1 | L375 | L373-L375 PolarHBondContact O-N 2.9Š|
| 374 | N | 50.5 | Low | 53.1 | Low | 133 Ų | 133 | 148 Ų | 148 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 120.9 | 175.8 | -80.8 | 4.4 | 0 | 0 | 0 | 110.2 | W376 | N374-W376 PolarHBondContact O-N 3.45Š|
| 375 | L | 55 | Low | 53.8 | Low | 163 Ų | 163 | 149.4 Ų | 149.4 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 123.7 | 159.9 | -117.8 | 65.9 | 0 | 0 | 0 | 108.8 | L373 | L373-L375 PolarHBondContact O-N 2.9Š|
| 376 | W | 56.7 | Low | 54.6 | Low | 222 Ų | 222 | 146.8 Ų | 146.8 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 117.6 | 161.7 | -79.1 | 60.2 | 0 | 0 | 0 | 107.4 | N374 | N374-W376 PolarHBondContact O-N 3.45Š|
| 377 | T | 57.1 | Low | 55.5 | Low | 98 Ų | 98 | 148.6 Ų | 148.6 | 60% | 0.601 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 156 | 177.1 | 36.9 | 0 | 0 | 0 | 0 | 111.3 | D379 | T377-D379 PolarHBondContact O-N 3.34Š|
| 378 | Y | 52.9 | Low | 56.7 | Low | 209 Ų | 209 | 151.3 Ų | 151.3 | 82% | 0.82 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -1 | -163.8 | -150.9 | -96.1 | 0 | 0 | 0 | 114.7 | | |
| 379 | D | 60.3 | Low | 57.9 | Low | 136 Ų | 136 | 157.6 Ų | 157.6 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -5.6 | -161.4 | -61.7 | -57.7 | 0 | 0 | 0 | 116 | T377 W381 | T377-D379 PolarHBondContact O-N 3.34Å; D379-W381 VanDerWaalsContact C-N 3.26Å; D379-W381 PolarHBondContact O-N 2.95Å |
| 380 | D | 58.1 | Low | 59.1 | Low | 124 Ų | 124 | 156.3 Ų | 156.3 | 66% | 0.663 | 75% | 0.746 | S | S | * | * | | | trans | -78.3 | 0.3 | -175.4 | -80.3 | -26.7 | 0 | 0 | 0 | 114.8 | T382 | D380-T382 PolarHBondContact O-N 2.95Š|
| 381 | W | 58.4 | Low | 60.5 | Low | 208 Ų | 208 | 155.5 Ų | 155.5 | 79% | 0.788 | 74% | 0.736 | S | S | * | * | | | trans | -77.2 | 68.4 | 174.6 | -69.4 | 97.1 | 0 | 0 | 0 | 112.1 | D379 E385 | D379-W381 VanDerWaalsContact C-N 3.26Å; D379-W381 PolarHBondContact O-N 2.95Å; W381-E385 WeakPolarHBondContact CZ3-OE2 3.46Å |
| 382 | T | 62.1 | Low | 61.1 | Low | 104 Ų | 104 | 149.9 Ų | 149.9 | 64% | 0.638 | 72% | 0.721 | S | S | * | * | | | trans | -69.5 | 150.8 | 178.1 | 60.9 | 0 | 0 | 0 | 0 | 112.8 | D380 V384 | D380-T382 PolarHBondContact O-N 2.95Å; T382-V384 PolarHBondContact O-N 3.25Å |
| 383 | E | 60.3 | Low | 61.9 | Low | 174 Ų | 174 | 148.3 Ų | 148.3 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -14.3 | -160.9 | -64.8 | 169.6 | 113.3 | 0 | 0 | 117 | E385 Q386 | E383-E385 PolarHBondContact O-N 2.93Å; E383-Q386 PolarHBondContact O-N 3.35Å; E383-Q386 VanDerWaalsContact O-N 3.13Å |
| 384 | V | 63.9 | Low | 62.7 | Low | 119 Ų | 119 | 149.6 Ų | 149.6 | 72% | 0.721 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -61.5 | -40.1 | -169.1 | -176.1 | 0 | 0 | 0 | 0 | 113.2 | T382 Q386 | T382-V384 PolarHBondContact O-N 3.25Å; V384-Q386 VanDerWaalsContact C-N 3.3Å; V384-Q386 PolarHBondContact O-N 3.04Å |
| 385 | E | 60.4 | Low | 63.5 | Low | 116 Ų | 116 | 151.3 Ų | 151.3 | 54% | 0.542 | 73% | 0.73 | S | S | . | * | H | α-helix | trans | -71.9 | -24.9 | 179.6 | -65.3 | -167.5 | 164.3 | 0 | 0 | 112.7 | W381 E383 E387 E388 W389 | W381-E385 WeakPolarHBondContact CZ3-OE2 3.46Å; E383-E385 PolarHBondContact O-N 2.93Å; E385-E387 PolarHBondContact O-N 2.7Å; E385-E388 PolarHBondContact O-N 3.32Å; E385-W389 PolarHBondContact O-N 2.98Å |
| 386 | Q | 64.7 | Low | 63.1 | Low | 142 Ų | 142 | 153.3 Ų | 153.3 | 66% | 0.664 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -71.9 | -30.9 | -175.7 | -169.3 | 166.2 | 89.2 | 0 | 0 | 112.3 | E383 V384 L390 | E383-Q386 PolarHBondContact O-N 3.35Å; E383-Q386 VanDerWaalsContact O-N 3.13Å; V384-Q386 VanDerWaalsContact C-N 3.3Å; V384-Q386 PolarHBondContact O-N 3.04Å; Q386-L390 HydrophobicContact CG-CD1 4.15Å; Q386-L390 VanDerWaalsContact O-CD1 3.29Å; Q386-L390 WeakPolarHBondContact O-CD1 3.24Å; Q386-L390 PolarHBondContact O-N 3.37Å |
| 387 | E | 67.4 | Low | 62.7 | Low | 139 Ų | 139 | 148.2 Ų | 148.2 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -74.4 | -33.7 | 177.4 | -162.1 | 166.8 | -127.2 | 0 | 0 | 112.1 | E385 L390 H391 | E385-E387 PolarHBondContact O-N 2.7Å; E387-L390 PolarHBondContact O-N 2.98Å; E387-H391 PolarHBondContact O-CD2 3.25Å; E387-H391 VanDerWaalsContact O-CD2 3.27Å; E387-H391 PolarHBondContact O-N 3.28Å |
| 388 | E | 70.3 | Confident | 62.4 | Low | 159 Ų | 159 | 147.8 Ų | 147.8 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -68.9 | -41.1 | 176 | -169.4 | 161.7 | -140 | 0 | 0 | 111.9 | E385 L390 H391 G392 | E385-E388 PolarHBondContact O-N 3.32Å; E388-L390 VanDerWaalsContact C-N 3.3Å; E388-L390 PolarHBondContact O-N 3.13Å; E388-H391 PolarHBondContact O-N 2.94Å; E388-G392 PolarHBondContact O-N 3.05Å |
| 389 | W | 73.2 | Confident | 62.2 | Low | 220 Ų | 220 | 143.7 Ų | 143.7 | 83% | 0.833 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -63.8 | -30.4 | 173 | -86.3 | 91.4 | 0 | 0 | 0 | 113.7 | E385 | E385-W389 PolarHBondContact O-N 2.98Å |
| 390 | L | 76.2 | Confident | 61.5 | Low | 140 Ų | 140 | 148.3 Ų | 148.3 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -76.7 | -20.7 | 178.2 | -105.2 | 107.7 | 0 | 0 | 0 | 114.1 | Q386 E387 E388 | Q386-L390 HydrophobicContact CG-CD1 4.15Å; Q386-L390 VanDerWaalsContact O-CD1 3.29Å; Q386-L390 WeakPolarHBondContact O-CD1 3.24Å; Q386-L390 PolarHBondContact O-N 3.37Å; E387-L390 PolarHBondContact O-N 2.98Å; E388-L390 VanDerWaalsContact C-N 3.3Å; E388-L390 PolarHBondContact O-N 3.13Å |
| 391 | H | 73.1 | Confident | 60.9 | Low | 152 Ų | 152 | 146.2 Ų | 146.2 | 70% | 0.704 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -93.3 | -22.9 | -178.1 | -78.6 | -48.7 | 0 | 0 | 0 | 114.8 | E387 E388 | E387-H391 PolarHBondContact O-CD2 3.25Å; E387-H391 VanDerWaalsContact O-CD2 3.27Å; E387-H391 PolarHBondContact O-N 3.28Å; E388-H391 PolarHBondContact O-N 2.94Å |
| 392 | G | 64.6 | Low | 60.3 | Low | 41 Ų | 41 | 142 Ų | 142 | 42% | 0.423 | 75% | 0.746 | S | S | . | * | | | trans | 69 | 178.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | E388 K394 | E388-G392 PolarHBondContact O-N 3.05Å; G392-K394 PolarHBondContact O-N 3.4Å |
| 393 | P | 66.7 | Low | 59.5 | Low | 138 Ų | 138 | 145.9 Ų | 145.9 | 90% | 0.896 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -65.7 | 108.7 | -174.3 | -22.6 | 34.8 | 0 | 0 | 0 | 112.5 | E395 | P393-E395 PolarHBondContact O-N 2.62Š|
| 394 | K | 64 | Low | 58.6 | Low | 204 Ų | 204 | 145.6 Ų | 145.6 | 89% | 0.887 | 75% | 0.753 | S | S | * | * | | | trans | -61.2 | 125.9 | -179.5 | -163.6 | 170.4 | -171.6 | 168.9 | 0 | 111.1 | G392 F396 | G392-K394 PolarHBondContact O-N 3.4Å; K394-F396 PolarHBondContact O-N 3.29Å |
| 395 | E | 67.2 | Low | 57.7 | Low | 170 Ų | 170 | 148.4 Ų | 148.4 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | | | trans | -53.3 | 119.8 | -165.7 | -62.9 | -177.1 | 164.2 | 0 | 0 | 114.3 | P393 T397 | P393-E395 PolarHBondContact O-N 2.62Å; E395-T397 PolarHBondContact O-N 3.48Å |
| 396 | F | 47.9 | Very low | 56.8 | Low | 204 Ų | 204 | 148.2 Ų | 148.2 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | | | trans | -78.7 | 81.7 | -179.8 | -152.8 | -83.1 | 0 | 0 | 0 | 111 | K394 A398 | K394-F396 PolarHBondContact O-N 3.29Å; F396-A398 PolarHBondContact O-N 2.96Å |
| 397 | T | 48.8 | Very low | 55.8 | Low | 115 Ų | 115 | 148.5 Ų | 148.5 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | trans | -68.8 | 101.3 | 179 | 36.2 | 0 | 0 | 0 | 0 | 111.5 | E395 S399 | E395-T397 PolarHBondContact O-N 3.48Å; T397-S399 PolarHBondContact O-N 3.45Å |
| 398 | A | 50.2 | Low | 54.6 | Low | 90 Ų | 90 | 148.2 Ų | 148.2 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | | | trans | -66.8 | 99.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F396 R400 | F396-A398 PolarHBondContact O-N 2.96Å; A398-R400 PolarHBondContact O-N 3.37Å |
| 399 | S | 48.7 | Very low | 53.2 | Low | 122 Ų | 122 | 145.3 Ų | 145.3 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | -58.4 | 105.8 | -178.4 | -68.5 | 0 | 0 | 0 | 0 | 112.9 | T397 G401 | T397-S399 PolarHBondContact O-N 3.45Å; S399-G401 PolarHBondContact O-N 3.46Å |
| 400 | R | 44.4 | Very low | 51.7 | Low | 233 Ų | 233 | 142.1 Ų | 142.1 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | | | trans | -77.8 | 85.8 | 179.7 | -166.9 | 178.6 | -166.9 | 166.8 | 4.9 | 110.9 | A398 V402 | A398-R400 PolarHBondContact O-N 3.37Å; R400-V402 PolarHBondContact O-N 3.08Å; R400-V402 VanDerWaalsContact O-N 3.13Å |
| 401 | G | 47 | Very low | 50.3 | Low | 81 Ų | 81 | 142.7 Ų | 142.7 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | trans | -59 | 111.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S399 | S399-G401 PolarHBondContact O-N 3.46Š|
| 402 | V | 45.6 | Very low | 48.8 | Very low | 119 Ų | 119 | 141 Ų | 141 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | | | trans | -106.1 | 111.2 | 172.2 | 176.7 | 0 | 0 | 0 | 0 | 108 | R400 | R400-V402 PolarHBondContact O-N 3.08Å; R400-V402 VanDerWaalsContact O-N 3.13Å |
| 403 | H | 45.4 | Very low | 47.7 | Very low | 185 Ų | 185 | 147.1 Ų | 147.1 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | | | trans | -99.3 | 130.8 | 165 | -132 | -65.5 | 0 | 0 | 0 | 109.6 | | |
| 404 | K | 41.9 | Very low | 46.4 | Very low | 169 Ų | 169 | 145.1 Ų | 145.1 | 74% | 0.735 | 80% | 0.796 | S | S | * | * | | | trans | -126.5 | -178 | 165.8 | -91.6 | -170.7 | 172.1 | -173.9 | 0 | 108.1 | | |
| 405 | E | 43.9 | Very low | 45.2 | Very low | 178 Ų | 178 | 145 Ų | 145 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | trans | 69.9 | 104.5 | 177.2 | -63.1 | 162.9 | -152 | 0 | 0 | 112.4 | | |
| 406 | S | 41.7 | Very low | 43.8 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | cis | 88.6 | 96.2 | 40.9 | 81.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 407 | V | 44.2 | Very low | 43.5 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | | | trans | -133.6 | 147.1 | 160.3 | -178.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 408 | T | 42.1 | Very low | 43.1 | Very low | 133 Ų | 133 | 138.4 Ų | 138.4 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | | | trans | -97.7 | 161.4 | -168.6 | 48.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 409 | S | 39.6 | Very low | 42.8 | Very low | 99 Ų | 99 | 141.3 Ų | 141.3 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | | | trans | -65.1 | 151.4 | 166.1 | -49.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 410 | D | 41.7 | Very low | 42.4 | Very low | 153 Ų | 153 | 144 Ų | 144 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | | 173.7 | -170.4 | 111.8 | -83.2 | -17.2 | 0 | 0 | 0 | 111.4 | | |
| 411 | D | 46.8 | Very low | 42.3 | Very low | 151 Ų | 151 | 138.8 Ų | 138.8 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | | | trans | 75.6 | 62.1 | 170.8 | -67.2 | -10.8 | 0 | 0 | 0 | 121.8 | | |
| 412 | V | 42.9 | Very low | 42 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 70% | 0.703 | 79% | 0.793 | S | S | * | * | | | | 51.5 | 118.4 | 100 | -174.8 | 0 | 0 | 0 | 0 | 121.5 | | |
| 413 | H | 40.8 | Very low | 41.7 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | | | trans | 76 | 124.2 | 147.3 | -74.9 | -35.8 | 0 | 0 | 0 | 125.2 | | |
| 414 | S | 38.8 | Very low | 41.5 | Very low | 96 Ų | 96 | 143.4 Ų | 143.4 | 67% | 0.671 | 80% | 0.798 | S | S | * | * | | | | 69.5 | 118.7 | 129.3 | -60.4 | 0 | 0 | 0 | 0 | 122.1 | | |
| 415 | F | 39.2 | Very low | 41.5 | Very low | 201 Ų | 201 | 142 Ų | 142 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | | | | -160.1 | 158.9 | 103 | -122.4 | -88.4 | 0 | 0 | 0 | 111.4 | | |
| 416 | A | 37.5 | Very low | 41.2 | Very low | 81 Ų | 81 | 138.3 Ų | 138.3 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | | | trans | -146 | 143 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 417 | H | 42.1 | Very low | 41.3 | Very low | 182 Ų | 182 | 139.9 Ų | 139.9 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | | | trans | -176 | 126 | 154.5 | -88.6 | -65.5 | 0 | 0 | 0 | 105.9 | | |
| 418 | A | 40.4 | Very low | 40.7 | Very low | 87 Ų | 87 | 136.3 Ų | 136.3 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | | | cis | 86.8 | 120.2 | 47.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 419 | V | 44.4 | Very low | 41.2 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | | | trans | -176 | 153.5 | 148.4 | 140.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 420 | E | 40.3 | Very low | 41.6 | Very low | 179 Ų | 179 | 136.5 Ų | 136.5 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | | | trans | -105.8 | 164.6 | -161 | -62.7 | 179.5 | 114.8 | 0 | 0 | 116 | | |
| 421 | P | 41.3 | Very low | 41.5 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | | | trans | -87 | 167.8 | 167 | 36.5 | -35.7 | 0 | 0 | 0 | 113.4 | | |
| 422 | S | 41.6 | Very low | 41.3 | Very low | 125 Ų | 125 | 136 Ų | 136 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | | | trans | -151.7 | 161.3 | 176.8 | -88 | 0 | 0 | 0 | 0 | 115.3 | | |
| 423 | K | 38.5 | Very low | 41.2 | Very low | 192 Ų | 192 | 138.7 Ų | 138.7 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | | | trans | -103.2 | 159.2 | -167 | -56.5 | 167.5 | -179 | 169.6 | 0 | 113.4 | | |
| 424 | I | 42.5 | Very low | 41.2 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | | | trans | -173.4 | 161.5 | 149.7 | -97.5 | 146.2 | 0 | 0 | 0 | 108.4 | | |
| 425 | I | 41.4 | Very low | 41.4 | Very low | 139 Ų | 139 | 140.9 Ų | 140.9 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | | | | -170.8 | 132.4 | -64.3 | -100.4 | 164.9 | 0 | 0 | 0 | 108.5 | | |
| 426 | S | 37.5 | Very low | 41.7 | Very low | 100 Ų | 100 | 141.2 Ų | 141.2 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | | | trans | 37.5 | 132.6 | 151.4 | -160.2 | 0 | 0 | 0 | 0 | 123.4 | | |
| 427 | T | 42.8 | Very low | 42 | Very low | 145 Ų | 145 | 145.8 Ų | 145.8 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | | | | 179.9 | 167.5 | 108.4 | 29.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 428 | G | 33 | Very low | 42.4 | Very low | 72 Ų | 72 | 142 Ų | 142 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | trans | -145.1 | -171.7 | -167.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 429 | P | 52.2 | Low | 42.5 | Very low | 123 Ų | 123 | 143 Ų | 143 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | trans | -119.3 | 167.7 | -160.9 | 42.2 | -33.7 | 0 | 0 | 0 | 117.6 | | |
| 430 | P | 47.9 | Very low | 42.6 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | trans | -105.2 | 148.8 | 156.8 | 6.2 | 16.6 | 0 | 0 | 0 | 112.1 | | |
| 431 | K | 40.4 | Very low | 42.8 | Very low | 201 Ų | 201 | 139.2 Ų | 139.2 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | | | | 69 | 139.2 | 63.5 | -68.9 | -177.2 | 179.5 | -179.7 | 0 | 113.5 | | |
| 432 | S | 41.9 | Very low | 43 | Very low | 94 Ų | 94 | 138.2 Ų | 138.2 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | | | cis | -169.3 | -175.3 | 8.1 | 38.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 433 | Q | 41.5 | Very low | 42.9 | Very low | 172 Ų | 172 | 143 Ų | 143 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | 77.5 | 148.5 | 158.8 | -84.3 | 166.3 | -21.6 | 0 | 0 | 118.2 | | |
| 434 | Q | 40.6 | Very low | 43 | Very low | 154 Ų | 154 | 138.4 Ų | 138.4 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | | | cis | -146.1 | 172.3 | -3.9 | -165.4 | 157.6 | 0.2 | 0 | 0 | 112.9 | | |
| 435 | E | 41.8 | Very low | 42.9 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | trans | -73.5 | 158.8 | -175.1 | -40.4 | 118.1 | 115.2 | 0 | 0 | 115.7 | | |
| 436 | K | 47.2 | Very low | 42.6 | Very low | 208 Ų | 208 | 133.1 Ų | 133.1 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | | | | -170.1 | 144.1 | 112.9 | -150.6 | 158.4 | -174.4 | 170.5 | 0 | 113.7 | | |
| 437 | E | 43.1 | Very low | 42.8 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | -103.8 | -161.4 | 177.4 | -63.1 | -160.8 | 130.2 | 0 | 0 | 113.1 | | |
| 438 | P | 50 | Low | 42.6 | Very low | 104 Ų | 104 | 137.1 Ų | 137.1 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | | | | -131.6 | -168.8 | -82.1 | 41.5 | -24.6 | 0 | 0 | 0 | 112.7 | | |
| 439 | S | 43.3 | Very low | 43.2 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | | 163.5 | 159.4 | 121.6 | 53.5 | 0 | 0 | 0 | 0 | 116 | | |
| 440 | S | 45.2 | Very low | 42.8 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | trans | 77.7 | 123.5 | 159.8 | 66.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 441 | T | 44.9 | Very low | 42.5 | Very low | 136 Ų | 136 | 138 Ų | 138 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | | | trans | -108.8 | -161.3 | 170.3 | 48.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 442 | P | 45.5 | Very low | 42.3 | Very low | 101 Ų | 101 | 140.7 Ų | 140.7 | 66% | 0.656 | 79% | 0.788 | S | S | * | * | | | cis | -141.2 | -173 | -7.4 | 39.7 | -18.8 | 0 | 0 | 0 | 117.1 | | |
| 443 | Y | 40.4 | Very low | 42.6 | Very low | 225 Ų | 225 | 142.8 Ų | 142.8 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | | | trans | 69.5 | 117.9 | 144.6 | -88.7 | -62.7 | 0 | 0 | 0 | 123.9 | | |
| 444 | A | 40.1 | Very low | 42.8 | Very low | 97 Ų | 97 | 143.9 Ų | 143.9 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | | | trans | -158.6 | 145.1 | 135 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 445 | A | 40.6 | Very low | 43.4 | Very low | 89 Ų | 89 | 139.7 Ų | 139.7 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | | | trans | -44.7 | 134.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 446 | S | 35.2 | Very low | 44.2 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | | 80.4 | 107.8 | 55.7 | 83.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 447 | H | 41.2 | Very low | 44.9 | Very low | 194 Ų | 194 | 135.5 Ų | 135.5 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | | | trans | -153.4 | 133.1 | 152.5 | -114.8 | -77.8 | 0 | 0 | 0 | 109.5 | | |
| 448 | V | 38.5 | Very low | 46.7 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | | | trans | -117.9 | 143.1 | 170.6 | 176.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 449 | A | 46.7 | Very low | 48.2 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | | | trans | -140.6 | 133.9 | 174 | 0 | 0 | 0 | 0 | 0 | 109.2 | G451 | A449-G451 PolarHBondContact O-N 2.9Š|
| 450 | D | 42.1 | Very low | 50.1 | Low | 170 Ų | 170 | 129 Ų | 129 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | | | trans | -69.8 | 126.5 | -174.1 | -71.8 | -70.6 | 0 | 0 | 0 | 113.2 | | |
| 451 | G | 42 | Very low | 51.9 | Low | 64 Ų | 64 | 127.8 Ų | 127.8 | 66% | 0.66 | 75% | 0.747 | S | S | * | * | | | trans | -121.3 | 96.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A449 V453 | A449-G451 PolarHBondContact O-N 2.9Å; G451-V453 VanDerWaalsContact C-N 3.35Å; G451-V453 PolarHBondContact O-N 3.01Å |
| 452 | R | 37 | Very low | 53.6 | Low | 258 Ų | 258 | 126.7 Ų | 126.7 | 97% | 0.974 | 73% | 0.732 | S | S | * | * | | | trans | -74.7 | 75.8 | -173.5 | -165.3 | -176 | -163.2 | 172.9 | 6.3 | 112.6 | K454 | R452-K454 PolarHBondContact O-N 3Š|
| 453 | V | 46.9 | Very low | 55.7 | Low | 137 Ų | 137 | 126.1 Ų | 126.1 | 83% | 0.83 | 73% | 0.727 | S | S | * | * | | | trans | -68.5 | 120.6 | 178.8 | -179.5 | 0 | 0 | 0 | 0 | 111 | G451 G455 | G451-V453 VanDerWaalsContact C-N 3.35Å; G451-V453 PolarHBondContact O-N 3.01Å; V453-G455 PolarHBondContact O-N 3.33Å |
| 454 | K | 47.6 | Very low | 58.1 | Low | 196 Ų | 196 | 121 Ų | 121 | 85% | 0.852 | 71% | 0.714 | S | S | * | * | | | trans | -92.3 | 96.2 | 174.4 | -168.9 | -179.3 | -176 | -174.3 | 0 | 108.6 | R452 T456 | R452-K454 PolarHBondContact O-N 3Å; K454-T456 PolarHBondContact O-N 2.89Å |
| 455 | G | 51.6 | Low | 60.4 | Low | 66 Ų | 66 | 124.3 Ų | 124.3 | 68% | 0.68 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 118.5 | -176 | 0 | 0 | 0 | 0 | 0 | 112.8 | V453 | V453-G455 PolarHBondContact O-N 3.33Š|
| 456 | T | 58.3 | Low | 62.9 | Low | 136 Ų | 136 | 124.3 Ų | 124.3 | 83% | 0.834 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 119.1 | 164.1 | 48.7 | 0 | 0 | 0 | 0 | 108.6 | K454 | K454-T456 PolarHBondContact O-N 2.89Š|
| 457 | F | 63 | Low | 65.6 | Low | 143 Ų | 143 | 125.5 Ų | 125.5 | 63% | 0.627 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 150.3 | 169.2 | -71.4 | -79.9 | 0 | 0 | 0 | 110.7 | E461 | F457-E461 HydrophobicContact CD1-CB 4.47Š|
| 458 | T | 81.4 | Confident | 68 | Low | 79 Ų | 79 | 121.6 Ų | 121.6 | 49% | 0.485 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -73.8 | 150.8 | 171.7 | 67.3 | 0 | 0 | 0 | 0 | 110.1 | A460 E461 Q462 | T458-A460 PolarHBondContact O-N 2.66Å; T458-E461 WeakPolarHBondContact CB-OE2 3.21Å; T458-E461 WeakPolarHBondContact CG2-OE2 3.3Å; T458-E461 PolarHBondContact N-OE2 3Å; T458-E461 PolarHBondContact O-N 3.39Å; T458-E461 VanDerWaalsContact O-N 3.09Å; T458-E461 VanDerWaalsContact OG1-CD 3.3Å; T458-E461 WeakPolarHBondContact OG1-CG 3.37Å; T458-E461 PolarHBondContact OG1-OE2 3.46Å; T458-Q462 PolarHBondContact O-N 3.08Å |
| 459 | S | 80.2 | Confident | 70.4 | Confident | 102 Ų | 102 | 117.6 Ų | 117.6 | 71% | 0.713 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -57.8 | -25.9 | -178.2 | -172.6 | 0 | 0 | 0 | 0 | 113.4 | T463 | S459-T463 WeakPolarHBondContact O-CG2 3.46Å; S459-T463 PolarHBondContact O-N 2.9Å; S459-T463 PolarHBondContact O-OG1 3.15Å |
| 460 | A | 83 | Confident | 72.5 | Confident | 70 Ų | 70 | 116.1 Ų | 116.1 | 58% | 0.579 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -74.2 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T458 Q462 T463 L464 | T458-A460 PolarHBondContact O-N 2.66Å; A460-Q462 VanDerWaalsContact C-N 3.34Å; A460-T463 WeakPolarHBondContact CA-OG1 3.24Å; A460-T463 PolarHBondContact O-N 3.44Å; A460-T463 PolarHBondContact O-OG1 3.32Å; A460-L464 PolarHBondContact O-N 2.93Å; A460-L464 VanDerWaalsContact O-N 3.1Å |
| 461 | E | 83.9 | Confident | 74.8 | Confident | 89 Ų | 89 | 111 Ų | 111 | 42% | 0.416 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.2 | -41.9 | 176.2 | -68.3 | 163.7 | 122.8 | 0 | 0 | 111 | F457 T458 L464 W465 | F457-E461 HydrophobicContact CD1-CB 4.47Å; T458-E461 WeakPolarHBondContact CB-OE2 3.21Å; T458-E461 WeakPolarHBondContact CG2-OE2 3.3Å; T458-E461 PolarHBondContact N-OE2 3Å; T458-E461 PolarHBondContact O-N 3.39Å; T458-E461 VanDerWaalsContact O-N 3.09Å; T458-E461 VanDerWaalsContact OG1-CD 3.3Å; T458-E461 WeakPolarHBondContact OG1-CG 3.37Å; T458-E461 PolarHBondContact OG1-OE2 3.46Å; E461-L464 WeakPolarHBondContact O-CB 3.37Å; E461-L464 PolarHBondContact O-N 2.93Å; E461-L464 VanDerWaalsContact O-N 3.1Å; E461-W465 PolarHBondContact O-N 3.25Å |
| 462 | Q | 80.4 | Confident | 77.1 | Confident | 112 Ų | 112 | 111.3 Ų | 111.3 | 52% | 0.523 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.3 | -42.7 | 177.8 | -172.7 | 158.1 | -0.4 | 0 | 0 | 111.8 | T458 A460 L464 W465 D466 | T458-Q462 PolarHBondContact O-N 3.08Å; A460-Q462 VanDerWaalsContact C-N 3.34Å; Q462-L464 PolarHBondContact O-N 3.46Å; Q462-W465 PolarHBondContact O-N 3.17Å; Q462-D466 WeakPolarHBondContact O-CB 3.36Å; Q462-D466 VanDerWaalsContact O-CG 3.26Å; Q462-D466 PolarHBondContact O-N 2.86Å |
| 463 | T | 89.4 | Confident | 79.5 | Confident | 89 Ų | 89 | 103.4 Ų | 103.4 | 55% | 0.546 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.4 | -22 | 173.3 | 51.3 | 0 | 0 | 0 | 0 | 114.3 | S459 A460 K467 | S459-T463 WeakPolarHBondContact O-CG2 3.46Å; S459-T463 PolarHBondContact O-N 2.9Å; S459-T463 PolarHBondContact O-OG1 3.15Å; A460-T463 WeakPolarHBondContact CA-OG1 3.24Å; A460-T463 PolarHBondContact O-N 3.44Å; A460-T463 PolarHBondContact O-OG1 3.32Å; T463-K467 WeakPolarHBondContact O-CB 3.1Å; T463-K467 PolarHBondContact O-N 3.07Å |
| 464 | L | 91.2 | Very high | 81.7 | Confident | 118 Ų | 118 | 100.6 Ų | 100.6 | 62% | 0.618 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -75 | -48.1 | 172.9 | -161.2 | 80.4 | 0 | 0 | 0 | 110.6 | A460 E461 Q462 K467 E468 | A460-L464 PolarHBondContact O-N 2.93Å; A460-L464 VanDerWaalsContact O-N 3.1Å; E461-L464 WeakPolarHBondContact O-CB 3.37Å; E461-L464 PolarHBondContact O-N 2.93Å; E461-L464 VanDerWaalsContact O-N 3.1Å; Q462-L464 PolarHBondContact O-N 3.46Å; L464-K467 PolarHBondContact O-N 3.02Å; L464-E468 PolarHBondContact O-N 3.01Å |
| 465 | W | 89.1 | Confident | 83.6 | Confident | 166 Ų | 166 | 96.1 Ų | 96.1 | 63% | 0.629 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.9 | -45.3 | 176.1 | -87.6 | 97.6 | 0 | 0 | 0 | 112.8 | E461 Q462 K467 E468 A469 | E461-W465 PolarHBondContact O-N 3.25Å; Q462-W465 PolarHBondContact O-N 3.17Å; W465-K467 VanDerWaalsContact C-N 3.28Å; W465-K467 PolarHBondContact O-N 3.08Å; W465-E468 PolarHBondContact O-N 3.27Å; W465-A469 VanDerWaalsContact O-CB 3.31Å; W465-A469 WeakPolarHBondContact O-CB 3.45Å; W465-A469 PolarHBondContact O-N 3.08Å |
| 466 | D | 91.5 | Very high | 85.1 | Confident | 89 Ų | 89 | 100.1 Ų | 100.1 | 48% | 0.476 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 177.3 | -67.5 | -29 | 0 | 0 | 0 | 110.6 | Q462 T470 | Q462-D466 WeakPolarHBondContact O-CB 3.36Å; Q462-D466 VanDerWaalsContact O-CG 3.26Å; Q462-D466 PolarHBondContact O-N 2.86Å; D466-T470 VanDerWaalsContact O-CG2 3.32Å; D466-T470 WeakPolarHBondContact O-CG2 3.36Å; D466-T470 PolarHBondContact O-N 3.49Å |
| 467 | K | 91.8 | Very high | 86.4 | Confident | 130 Ų | 130 | 99.3 Ų | 99.3 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.8 | -51.7 | 175.7 | -173.4 | -177.7 | 176.4 | -171.6 | 0 | 111.5 | T463 L464 W465 A469 T470 D471 | T463-K467 WeakPolarHBondContact O-CB 3.1Å; T463-K467 PolarHBondContact O-N 3.07Å; L464-K467 PolarHBondContact O-N 3.02Å; W465-K467 VanDerWaalsContact C-N 3.28Å; W465-K467 PolarHBondContact O-N 3.08Å; K467-A469 VanDerWaalsContact C-N 3.32Å; K467-A469 PolarHBondContact O-N 3.36Å; K467-T470 PolarHBondContact O-N 3.23Å; K467-T470 VanDerWaalsContact O-N 3.09Å; K467-T470 PolarHBondContact O-OG1 3.48Å; K467-D471 PolarHBondContact O-N 3.24Å |
| 468 | E | 92.4 | Very high | 87.3 | Confident | 112 Ų | 112 | 95.5 Ų | 95.5 | 52% | 0.523 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.5 | -44.3 | 179.4 | -173.5 | 169.8 | -175.2 | 0 | 0 | 111.3 | L464 W465 T470 D471 V472 | L464-E468 PolarHBondContact O-N 3.01Å; W465-E468 PolarHBondContact O-N 3.27Å; E468-T470 PolarHBondContact O-N 3.02Å; E468-D471 PolarHBondContact O-N 2.75Å; E468-V472 WeakPolarHBondContact O-CG2 3.41Å; E468-V472 PolarHBondContact O-N 2.78Å |
| 469 | A | 88.7 | Confident | 87.2 | Confident | 51 Ų | 51 | 97.5 Ų | 97.5 | 42% | 0.421 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | W465 K467 L473 | W465-A469 VanDerWaalsContact O-CB 3.31Å; W465-A469 WeakPolarHBondContact O-CB 3.45Å; W465-A469 PolarHBondContact O-N 3.08Å; K467-A469 VanDerWaalsContact C-N 3.32Å; K467-A469 PolarHBondContact O-N 3.36Å; A469-L473 WeakPolarHBondContact O-CB 3.48Å; A469-L473 WeakPolarHBondContact O-CG 3.44Å; A469-L473 PolarHBondContact O-N 2.93Å |
| 470 | T | 90.5 | Very high | 86.7 | Confident | 62 Ų | 62 | 94.6 Ų | 94.6 | 38% | 0.38 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.2 | -31.4 | 175.7 | 67.9 | 0 | 0 | 0 | 0 | 113.2 | D466 K467 E468 K474 | D466-T470 VanDerWaalsContact O-CG2 3.32Å; D466-T470 WeakPolarHBondContact O-CG2 3.36Å; D466-T470 PolarHBondContact O-N 3.49Å; K467-T470 PolarHBondContact O-N 3.23Å; K467-T470 VanDerWaalsContact O-N 3.09Å; K467-T470 PolarHBondContact O-OG1 3.48Å; E468-T470 PolarHBondContact O-N 3.02Å; T470-K474 WeakPolarHBondContact O-CD 3.31Å; T470-K474 WeakPolarHBondContact O-CE 3.42Å; T470-K474 WeakPolarHBondContact O-CG 3.37Å; T470-K474 PolarHBondContact O-N 2.96Å; T470-K474 PolarHBondContact OG1-NZ 3.12Å |
| 471 | D | 90.6 | Very high | 85.3 | Confident | 63 Ų | 63 | 101.5 Ų | 101.5 | 34% | 0.337 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -76.6 | -33.9 | 178.6 | -72.1 | -22.1 | 0 | 0 | 0 | 111.4 | K467 E468 K474 N475 | K467-D471 PolarHBondContact O-N 3.24Å; E468-D471 PolarHBondContact O-N 2.75Å; D471-K474 IonicContact OD1-NZ 2.65Å; D471-K474 PolarHBondContact OD1-NZ 2.95Å; D471-N475 VanDerWaalsContact O-CG 3.24Å; D471-N475 PolarHBondContact O-N 3.04Å; D471-N475 PolarHBondContact O-ND2 3.01Å; D471-N475 VanDerWaalsContact O-ND2 3.1Å |
| 472 | V | 91.6 | Very high | 83.7 | Confident | 69 Ų | 69 | 101.5 Ų | 101.5 | 42% | 0.418 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.7 | -50.8 | 166.2 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | E468 K474 N475 E476 | E468-V472 WeakPolarHBondContact O-CG2 3.41Å; E468-V472 PolarHBondContact O-N 2.78Å; V472-K474 VanDerWaalsContact C-N 3.34Å; V472-K474 PolarHBondContact O-N 3.46Å; V472-N475 WeakPolarHBondContact O-CB 3.27Å; V472-N475 PolarHBondContact O-N 3.23Å; V472-E476 HydrophobicContact CG1-CG 4.45Å; V472-E476 PolarHBondContact O-N 2.95Å |
| 473 | L | 86.9 | Confident | 82.3 | Confident | 93 Ų | 93 | 100.4 Ų | 100.4 | 49% | 0.487 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.7 | -37.7 | 178.9 | -77.8 | 167 | 0 | 0 | 0 | 113.1 | A469 N475 E476 L477 | A469-L473 WeakPolarHBondContact O-CB 3.48Å; A469-L473 WeakPolarHBondContact O-CG 3.44Å; A469-L473 PolarHBondContact O-N 2.93Å; L473-N475 VanDerWaalsContact C-N 3.28Å; L473-N475 PolarHBondContact O-N 3.45Å; L473-E476 PolarHBondContact O-N 2.91Å; L473-L477 VanDerWaalsContact O-CB 3.25Å; L473-L477 WeakPolarHBondContact O-CB 3.24Å; L473-L477 VanDerWaalsContact O-CG 3.23Å; L473-L477 WeakPolarHBondContact O-CG 3.49Å; L473-L477 PolarHBondContact O-N 3.16Å |
| 474 | K | 92.3 | Very high | 80.6 | Confident | 78 Ų | 78 | 104.8 Ų | 104.8 | 34% | 0.339 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.2 | -31 | 175.1 | -72.6 | 160.1 | -145.5 | 152.4 | 0 | 112.8 | T470 D471 V472 G478 I479 A480 | T470-K474 WeakPolarHBondContact O-CD 3.31Å; T470-K474 WeakPolarHBondContact O-CE 3.42Å; T470-K474 WeakPolarHBondContact O-CG 3.37Å; T470-K474 PolarHBondContact O-N 2.96Å; T470-K474 PolarHBondContact OG1-NZ 3.12Å; D471-K474 IonicContact OD1-NZ 2.65Å; D471-K474 PolarHBondContact OD1-NZ 2.95Å; V472-K474 VanDerWaalsContact C-N 3.34Å; V472-K474 PolarHBondContact O-N 3.46Å; K474-G478 PolarHBondContact O-N 3.29Å; K474-I479 PolarHBondContact O-N 2.72Å; K474-A480 HydrophobicContact CB-CB 4.26Å; K474-A480 PolarHBondContact O-N 3.47Å |
| 475 | N | 87 | Confident | 78.6 | Confident | 102 Ų | 102 | 104 Ų | 104 | 55% | 0.545 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -77 | -44.2 | 176.7 | -68.5 | -28.2 | 0 | 0 | 0 | 111.2 | D471 V472 L473 G478 | D471-N475 VanDerWaalsContact O-CG 3.24Å; D471-N475 PolarHBondContact O-N 3.04Å; D471-N475 PolarHBondContact O-ND2 3.01Å; D471-N475 VanDerWaalsContact O-ND2 3.1Å; V472-N475 WeakPolarHBondContact O-CB 3.27Å; V472-N475 PolarHBondContact O-N 3.23Å; L473-N475 VanDerWaalsContact C-N 3.28Å; L473-N475 PolarHBondContact O-N 3.45Å; N475-G478 PolarHBondContact O-N 2.81Å |
| 476 | E | 84.9 | Confident | 76.8 | Confident | 150 Ų | 150 | 101.1 Ų | 101.1 | 70% | 0.701 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.4 | -36.3 | 176.8 | -69.3 | -173.4 | 162.8 | 0 | 0 | 112.7 | V472 L473 G478 | V472-E476 HydrophobicContact CG1-CG 4.45Å; V472-E476 PolarHBondContact O-N 2.95Å; L473-E476 PolarHBondContact O-N 2.91Å; E476-G478 VanDerWaalsContact C-N 3.29Å; E476-G478 PolarHBondContact O-N 2.99Å |
| 477 | L | 84.7 | Confident | 75.7 | Confident | 118 Ų | 118 | 99.7 Ų | 99.7 | 62% | 0.618 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -2.4 | 175.6 | -64.5 | 170.1 | 0 | 0 | 0 | 113.8 | L473 I479 | L473-L477 VanDerWaalsContact O-CB 3.25Å; L473-L477 WeakPolarHBondContact O-CB 3.24Å; L473-L477 VanDerWaalsContact O-CG 3.23Å; L473-L477 WeakPolarHBondContact O-CG 3.49Å; L473-L477 PolarHBondContact O-N 3.16Å; L477-I479 HydrophobicContact CB-CD1 3.74Å; L477-I479 HydrophobicContact CB-CG1 3.86Å; L477-I479 HydrophobicContact CD1-CD1 4.06Å; L477-I479 PolarHBondContact O-N 3.13Å |
| 478 | G | 80.8 | Confident | 74.6 | Confident | 63 Ų | 63 | 100.6 Ų | 100.6 | 65% | 0.649 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66 | 19.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | K474 N475 E476 | K474-G478 PolarHBondContact O-N 3.29Å; N475-G478 PolarHBondContact O-N 2.81Å; E476-G478 VanDerWaalsContact C-N 3.29Å; E476-G478 PolarHBondContact O-N 2.99Å |
| 479 | I | 79.8 | Confident | 73.8 | Confident | 122 Ų | 122 | 102.6 Ų | 102.6 | 63% | 0.626 | 56% | 0.562 | S | S | * | * | | | trans | -83.5 | -23.9 | -174.2 | -60.3 | 174.3 | 0 | 0 | 0 | 111.5 | K474 L477 | K474-I479 PolarHBondContact O-N 2.72Å; L477-I479 HydrophobicContact CB-CD1 3.74Å; L477-I479 HydrophobicContact CB-CG1 3.86Å; L477-I479 HydrophobicContact CD1-CD1 4.06Å; L477-I479 PolarHBondContact O-N 3.13Å |
| 480 | A | 70.7 | Confident | 73.2 | Confident | 41 Ų | 41 | 108.6 Ų | 108.6 | 34% | 0.339 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -81.1 | 128.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K474 T482 | K474-A480 HydrophobicContact CB-CB 4.26Å; K474-A480 PolarHBondContact O-N 3.47Å; A480-T482 PolarHBondContact O-N 3.44Å |
| 481 | K | 52.6 | Low | 72.5 | Confident | 215 Ų | 215 | 112.8 Ų | 112.8 | 94% | 0.935 | 59% | 0.587 | S | S | * | * | | | trans | -72.5 | 96.5 | 172.7 | -69.2 | -173.8 | 177.6 | -175 | 0 | 111.2 | | |
| 482 | T | 50.5 | Low | 72.1 | Confident | 88 Ų | 88 | 113.1 Ų | 113.1 | 54% | 0.54 | 59% | 0.594 | S | S | . | * | | | trans | -74.4 | 146.3 | 167.9 | 52.8 | 0 | 0 | 0 | 0 | 111.5 | A480 | A480-T482 PolarHBondContact O-N 3.44Š|
| 483 | P | 51 | Low | 71.6 | Confident | 90 Ų | 90 | 113.7 Ų | 113.7 | 58% | 0.584 | 60% | 0.6 | S | S | * | * | | | trans | -65.1 | 138.5 | 174 | 28 | -34.5 | 0 | 0 | 0 | 111.6 | S485 | P483-S485 PolarHBondContact O-N 3.3Å; P483-S485 VanDerWaalsContact O-N 3.11Å |
| 484 | E | 53.7 | Low | 71.4 | Confident | 181 Ų | 181 | 113.6 Ų | 113.6 | 85% | 0.846 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -65.2 | -18.2 | -167.6 | -63.8 | 174 | 123.5 | 0 | 0 | 114.7 | L486 | E484-L486 VanDerWaalsContact C-N 3.34Å; E484-L486 PolarHBondContact O-N 3.33Å |
| 485 | S | 49.7 | Very low | 71 | Confident | 101 Ų | 101 | 116.6 Ų | 116.6 | 71% | 0.706 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -76.8 | -9.4 | -174.5 | 54.4 | 0 | 0 | 0 | 0 | 115.7 | P483 | P483-S485 PolarHBondContact O-N 3.3Å; P483-S485 VanDerWaalsContact O-N 3.11Å |
| 486 | L | 50.3 | Low | 71 | Confident | 105 Ų | 105 | 117.6 Ų | 117.6 | 55% | 0.55 | 62% | 0.616 | S | S | . | * | G | 310 helix | trans | -114 | -4.9 | -170.1 | -123.1 | 165.2 | 0 | 0 | 0 | 114.7 | E484 | E484-L486 VanDerWaalsContact C-N 3.34Å; E484-L486 PolarHBondContact O-N 3.33Å |
| 487 | T | 68.5 | Low | 71.2 | Confident | 59 Ų | 59 | 116 Ų | 116 | 36% | 0.362 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.6 | -42 | -179.4 | 53.2 | 0 | 0 | 0 | 0 | 112.4 | E489 R490 F491 | T487-E489 PolarHBondContact O-N 2.87Å; T487-R490 PolarHBondContact O-N 2.82Å; T487-F491 PolarHBondContact O-N 3.03Å |
| 488 | Q | 68.6 | Low | 71.1 | Confident | 149 Ų | 149 | 115.6 Ų | 115.6 | 70% | 0.696 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -71.5 | -34.6 | -168.2 | -169.2 | 158.5 | -5.4 | 0 | 0 | 114 | S492 | Q488-S492 WeakPolarHBondContact O-CB 3.41Å; Q488-S492 PolarHBondContact O-N 2.94Å; Q488-S492 PolarHBondContact O-OG 3.2Å |
| 489 | E | 76.2 | Confident | 71.4 | Confident | 154 Ų | 154 | 114.9 Ų | 114.9 | 72% | 0.72 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.9 | -41.8 | 172.1 | -67.9 | -170.6 | 150.2 | 0 | 0 | 111.9 | T487 S492 C493 | T487-E489 PolarHBondContact O-N 2.87Å; E489-S492 PolarHBondContact O-N 3.18Å; E489-C493 WeakPolarHBondContact O-CB 3.39Å; E489-C493 PolarHBondContact O-N 3.36Å |
| 490 | R | 76.9 | Confident | 71.7 | Confident | 177 Ų | 177 | 113 Ų | 113 | 67% | 0.668 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.5 | -42.6 | 175.9 | -76.4 | -173.6 | 168.8 | -156.6 | -3 | 112.3 | T487 S492 C493 L494 | T487-R490 PolarHBondContact O-N 2.82Å; R490-S492 VanDerWaalsContact C-N 3.35Å; R490-C493 PolarHBondContact O-N 3.43Å; R490-L494 WeakPolarHBondContact O-CB 3.31Å; R490-L494 WeakPolarHBondContact O-CG 3.44Å; R490-L494 PolarHBondContact O-N 3.43Å |
| 491 | F | 74.4 | Confident | 72.4 | Confident | 151 Ų | 151 | 116.4 Ų | 116.4 | 66% | 0.662 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.3 | -38.7 | 174.7 | -98.2 | -80.7 | 0 | 0 | 0 | 112.3 | T487 H495 | T487-F491 PolarHBondContact O-N 3.03Å; F491-H495 VanDerWaalsContact O-CB 3.24Å; F491-H495 WeakPolarHBondContact O-CB 3.37Å; F491-H495 PolarHBondContact O-N 2.78Å |
| 492 | S | 83.3 | Confident | 73.9 | Confident | 69 Ų | 69 | 115.8 Ų | 115.8 | 48% | 0.483 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.2 | -46.1 | 176.8 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | Q488 E489 R490 H495 E496 | Q488-S492 WeakPolarHBondContact O-CB 3.41Å; Q488-S492 PolarHBondContact O-N 2.94Å; Q488-S492 PolarHBondContact O-OG 3.2Å; E489-S492 PolarHBondContact O-N 3.18Å; R490-S492 VanDerWaalsContact C-N 3.35Å; S492-H495 PolarHBondContact O-N 3.41Å; S492-E496 PolarHBondContact O-N 2.91Å |
| 493 | C | 80.7 | Confident | 75.6 | Confident | 81 Ų | 81 | 115 Ų | 115 | 55% | 0.547 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.4 | -46.9 | 177.6 | -169.4 | 0 | 0 | 0 | 0 | 112.2 | E489 R490 H495 E496 E497 | E489-C493 WeakPolarHBondContact O-CB 3.39Å; E489-C493 PolarHBondContact O-N 3.36Å; R490-C493 PolarHBondContact O-N 3.43Å; C493-H495 PolarHBondContact O-N 3.38Å; C493-E496 PolarHBondContact O-N 3.25Å; C493-E497 WeakPolarHBondContact O-CB 3.49Å; C493-E497 PolarHBondContact O-N 3.32Å |
| 494 | L | 83.3 | Confident | 77.2 | Confident | 92 Ų | 92 | 115.5 Ų | 115.5 | 48% | 0.482 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.1 | -37.2 | 176.2 | -74 | 169.7 | 0 | 0 | 0 | 112.6 | R490 L498 | R490-L494 WeakPolarHBondContact O-CB 3.31Å; R490-L494 WeakPolarHBondContact O-CG 3.44Å; R490-L494 PolarHBondContact O-N 3.43Å; L494-L498 VanDerWaalsContact O-CB 3.3Å; L494-L498 WeakPolarHBondContact O-CB 3.38Å; L494-L498 WeakPolarHBondContact O-CD1 3.38Å; L494-L498 VanDerWaalsContact O-CG 3.24Å; L494-L498 WeakPolarHBondContact O-CG 3.41Å; L494-L498 PolarHBondContact O-N 3.3Å |
| 495 | H | 82.7 | Confident | 78.5 | Confident | 141 Ų | 141 | 110.5 Ų | 110.5 | 65% | 0.653 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.1 | -39 | 175.6 | -175.1 | -74.1 | 0 | 0 | 0 | 111.5 | F491 S492 C493 S499 | F491-H495 VanDerWaalsContact O-CB 3.24Å; F491-H495 WeakPolarHBondContact O-CB 3.37Å; F491-H495 PolarHBondContact O-N 2.78Å; S492-H495 PolarHBondContact O-N 3.41Å; C493-H495 PolarHBondContact O-N 3.38Å; H495-S499 VanDerWaalsContact O-CB 3.31Å; H495-S499 WeakPolarHBondContact O-CB 3.26Å; H495-S499 PolarHBondContact O-N 3.02Å; H495-S499 PolarHBondContact O-OG 3.5Å |
| 496 | E | 88.2 | Confident | 79.8 | Confident | 123 Ų | 123 | 111 Ų | 111 | 58% | 0.575 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.4 | -47 | 174.4 | -173.6 | 163.4 | -165.5 | 0 | 0 | 111.3 | S492 C493 L498 S499 N500 | S492-E496 PolarHBondContact O-N 2.91Å; C493-E496 PolarHBondContact O-N 3.25Å; E496-L498 PolarHBondContact O-N 2.91Å; E496-S499 PolarHBondContact O-N 3.48Å; E496-S499 VanDerWaalsContact O-N 3.16Å; E496-S499 PolarHBondContact O-OG 3.46Å; E496-N500 PolarHBondContact O-N 3.24Å; E496-N500 PolarHBondContact O-ND2 3.19Å; E496-N500 VanDerWaalsContact O-ND2 3.12Å |
| 497 | E | 87.7 | Confident | 81.3 | Confident | 117 Ų | 117 | 109.9 Ų | 109.9 | 55% | 0.547 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.6 | -46.3 | 176.2 | -171.8 | 170.4 | -147.8 | 0 | 0 | 112.6 | C493 S499 N500 M501 | C493-E497 WeakPolarHBondContact O-CB 3.49Å; C493-E497 PolarHBondContact O-N 3.32Å; E497-S499 VanDerWaalsContact C-N 3.34Å; E497-S499 PolarHBondContact O-N 3.36Å; E497-N500 PolarHBondContact O-N 3.46Å; E497-M501 PolarHBondContact O-N 2.85Å |
| 498 | L | 83.4 | Confident | 81.6 | Confident | 108 Ų | 108 | 109.7 Ų | 109.7 | 57% | 0.565 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.8 | -39.4 | 173.8 | -76 | 166.3 | 0 | 0 | 0 | 112.2 | L494 E496 M501 R502 | L494-L498 VanDerWaalsContact O-CB 3.3Å; L494-L498 WeakPolarHBondContact O-CB 3.38Å; L494-L498 WeakPolarHBondContact O-CD1 3.38Å; L494-L498 VanDerWaalsContact O-CG 3.24Å; L494-L498 WeakPolarHBondContact O-CG 3.41Å; L494-L498 PolarHBondContact O-N 3.3Å; E496-L498 PolarHBondContact O-N 2.91Å; L498-M501 HydrophobicContact CD2-CE 3.84Å; L498-M501 PolarHBondContact O-N 2.95Å; L498-R502 WeakPolarHBondContact O-CB 3.44Å; L498-R502 PolarHBondContact O-N 3.43Å |
| 499 | S | 86.7 | Confident | 82 | Confident | 48 Ų | 48 | 110.6 Ų | 110.6 | 34% | 0.336 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 176.9 | 79.1 | 0 | 0 | 0 | 0 | 111.9 | H495 E496 E497 R502 V503 | H495-S499 VanDerWaalsContact O-CB 3.31Å; H495-S499 WeakPolarHBondContact O-CB 3.26Å; H495-S499 PolarHBondContact O-N 3.02Å; H495-S499 PolarHBondContact O-OG 3.5Å; E496-S499 PolarHBondContact O-N 3.48Å; E496-S499 VanDerWaalsContact O-N 3.16Å; E496-S499 PolarHBondContact O-OG 3.46Å; E497-S499 VanDerWaalsContact C-N 3.34Å; E497-S499 PolarHBondContact O-N 3.36Å; S499-R502 PolarHBondContact O-N 3.39Å; S499-V503 WeakPolarHBondContact O-CG2 3.45Å; S499-V503 PolarHBondContact O-N 3.18Å |
| 500 | N | 87.3 | Confident | 81.9 | Confident | 82 Ų | 82 | 110.8 Ų | 110.8 | 44% | 0.439 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.1 | -40.3 | 176.8 | -74.8 | -41.5 | 0 | 0 | 0 | 111.8 | E496 E497 R502 V503 N504 | E496-N500 PolarHBondContact O-N 3.24Å; E496-N500 PolarHBondContact O-ND2 3.19Å; E496-N500 VanDerWaalsContact O-ND2 3.12Å; E497-N500 PolarHBondContact O-N 3.46Å; N500-R502 VanDerWaalsContact C-N 3.35Å; N500-R502 PolarHBondContact O-N 2.93Å; N500-V503 PolarHBondContact O-N 2.76Å; N500-N504 WeakPolarHBondContact O-CB 3.34Å; N500-N504 VanDerWaalsContact O-CG 3.28Å; N500-N504 PolarHBondContact O-N 3.29Å; N500-N504 PolarHBondContact O-ND2 2.98Å |
| 501 | M | 83.8 | Confident | 81.5 | Confident | 114 Ų | 114 | 109.3 Ų | 109.3 | 56% | 0.562 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.4 | -42.3 | 170.4 | -74.2 | -158.3 | -67 | 0 | 0 | 112.3 | E497 L498 N504 D505 | E497-M501 PolarHBondContact O-N 2.85Å; L498-M501 HydrophobicContact CD2-CE 3.84Å; L498-M501 PolarHBondContact O-N 2.95Å; M501-N504 PolarHBondContact O-N 3.42Å; M501-D505 PolarHBondContact O-N 3.45Å |
| 502 | R | 84.5 | Confident | 80.7 | Confident | 201 Ų | 201 | 111.3 Ų | 111.3 | 76% | 0.758 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.1 | -37.9 | -180 | -156.8 | 175.1 | -163.2 | 167.8 | 5.8 | 112.4 | L498 S499 N500 M506 | L498-R502 WeakPolarHBondContact O-CB 3.44Å; L498-R502 PolarHBondContact O-N 3.43Å; S499-R502 PolarHBondContact O-N 3.39Å; N500-R502 VanDerWaalsContact C-N 3.35Å; N500-R502 PolarHBondContact O-N 2.93Å; R502-M506 WeakPolarHBondContact O-CG 3.46Å; R502-M506 PolarHBondContact O-N 2.82Å |
| 503 | V | 87 | Confident | 79.1 | Confident | 73 Ų | 73 | 113.9 Ų | 113.9 | 44% | 0.442 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.6 | -43.1 | 171.6 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | S499 N500 M506 L507 | S499-V503 WeakPolarHBondContact O-CG2 3.45Å; S499-V503 PolarHBondContact O-N 3.18Å; N500-V503 PolarHBondContact O-N 2.76Å; V503-M506 PolarHBondContact O-N 2.86Å; V503-L507 PolarHBondContact O-N 2.75Å |
| 504 | N | 84 | Confident | 77.5 | Confident | 99 Ų | 99 | 117.7 Ų | 117.7 | 53% | 0.529 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66 | -38.7 | 179.2 | -75.4 | -28.4 | 0 | 0 | 0 | 113.2 | N500 M501 L507 A508 | N500-N504 WeakPolarHBondContact O-CB 3.34Å; N500-N504 VanDerWaalsContact O-CG 3.28Å; N500-N504 PolarHBondContact O-N 3.29Å; N500-N504 PolarHBondContact O-ND2 2.98Å; M501-N504 PolarHBondContact O-N 3.42Å; N504-L507 PolarHBondContact O-N 3.03Å; N504-A508 WeakPolarHBondContact O-CB 3.28Å; N504-A508 PolarHBondContact O-N 3.16Å |
| 505 | D | 81.8 | Confident | 75.5 | Confident | 76 Ų | 76 | 116.1 Ų | 116.1 | 41% | 0.406 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67 | -38.8 | 173.6 | -175.4 | 48.3 | 0 | 0 | 0 | 111.8 | M501 L507 A508 R509 | M501-D505 PolarHBondContact O-N 3.45Å; D505-L507 VanDerWaalsContact C-N 3.34Å; D505-L507 PolarHBondContact O-N 3.03Å; D505-A508 PolarHBondContact O-N 2.85Å; D505-R509 WeakPolarHBondContact O-CB 3.36Å; D505-R509 VanDerWaalsContact O-CG 3.26Å; D505-R509 WeakPolarHBondContact O-CG 3.42Å; D505-R509 PolarHBondContact O-N 3.06Å; D505-R509 IonicContact OD1-NE 3.36Å; D505-R509 PolarHBondContact OD1-NE 3.31Å; D505-R509 IonicContact OD1-NH2 3.07Å; D505-R509 IonicContact OD2-CZ 2.65Å; D505-R509 IonicContact OD2-NE 2.78Å; D505-R509 PolarHBondContact OD2-NE 3.1Å; D505-R509 IonicContact OD2-NH2 2.66Å; D505-R509 PolarHBondContact OD2-NH2 3.27Å |
| 506 | M | 75.8 | Confident | 73.5 | Confident | 112 Ų | 112 | 118.9 Ų | 118.9 | 55% | 0.552 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.4 | -41.5 | 171.3 | -72 | -161 | -55.9 | 0 | 0 | 112.2 | R502 V503 R509 Q510 | R502-M506 WeakPolarHBondContact O-CG 3.46Å; R502-M506 PolarHBondContact O-N 2.82Å; V503-M506 PolarHBondContact O-N 2.86Å; M506-R509 PolarHBondContact O-N 3.4Å; M506-Q510 WeakPolarHBondContact O-CG 3.38Å; M506-Q510 PolarHBondContact O-N 2.71Å |
| 507 | L | 81.8 | Confident | 71.4 | Confident | 82 Ų | 82 | 121.9 Ų | 121.9 | 43% | 0.429 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.7 | -44.1 | 176.5 | -131.8 | 77.2 | 0 | 0 | 0 | 111.4 | V503 N504 D505 R509 Q510 Q511 | V503-L507 PolarHBondContact O-N 2.75Å; N504-L507 PolarHBondContact O-N 3.03Å; D505-L507 VanDerWaalsContact C-N 3.34Å; D505-L507 PolarHBondContact O-N 3.03Å; L507-R509 VanDerWaalsContact C-N 3.3Å; L507-R509 PolarHBondContact O-N 3.17Å; L507-Q510 PolarHBondContact O-N 2.72Å; L507-Q511 WeakPolarHBondContact O-CG 3.33Å; L507-Q511 PolarHBondContact O-N 2.79Å |
| 508 | A | 76.1 | Confident | 69.3 | Low | 55 Ų | 55 | 121.5 Ų | 121.5 | 46% | 0.455 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.3 | -33 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N504 D505 | N504-A508 WeakPolarHBondContact O-CB 3.28Å; N504-A508 PolarHBondContact O-N 3.16Å; D505-A508 PolarHBondContact O-N 2.85Å |
| 509 | R | 76.5 | Confident | 67.5 | Low | 167 Ų | 167 | 122 Ų | 122 | 63% | 0.63 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -70.8 | -39.4 | 171.4 | -70.8 | 174.5 | -164.7 | -124 | 7.4 | 112.3 | D505 M506 L507 Q511 | D505-R509 WeakPolarHBondContact O-CB 3.36Å; D505-R509 VanDerWaalsContact O-CG 3.26Å; D505-R509 WeakPolarHBondContact O-CG 3.42Å; D505-R509 PolarHBondContact O-N 3.06Å; D505-R509 IonicContact OD1-NE 3.36Å; D505-R509 PolarHBondContact OD1-NE 3.31Å; D505-R509 IonicContact OD1-NH2 3.07Å; D505-R509 IonicContact OD2-CZ 2.65Å; D505-R509 IonicContact OD2-NE 2.78Å; D505-R509 PolarHBondContact OD2-NE 3.1Å; D505-R509 IonicContact OD2-NH2 2.66Å; D505-R509 PolarHBondContact OD2-NH2 3.27Å; M506-R509 PolarHBondContact O-N 3.4Å; L507-R509 VanDerWaalsContact C-N 3.3Å; L507-R509 PolarHBondContact O-N 3.17Å; R509-Q511 VanDerWaalsContact C-N 3.35Å |
| 510 | Q | 74.2 | Confident | 65.5 | Low | 159 Ų | 159 | 126.7 Ų | 126.7 | 74% | 0.743 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -69.9 | -27.5 | 175.8 | -74.1 | -174.7 | 6.4 | 0 | 0 | 113.7 | M506 L507 | M506-Q510 WeakPolarHBondContact O-CG 3.38Å; M506-Q510 PolarHBondContact O-N 2.71Å; L507-Q510 PolarHBondContact O-N 2.72Å |
| 511 | Q | 68.1 | Low | 63.3 | Low | 145 Ų | 145 | 133.9 Ų | 133.9 | 68% | 0.678 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 1.6 | -179.8 | -71 | -177.4 | 16 | 0 | 0 | 114.6 | L507 R509 P513 | L507-Q511 WeakPolarHBondContact O-CG 3.33Å; L507-Q511 PolarHBondContact O-N 2.79Å; R509-Q511 VanDerWaalsContact C-N 3.35Å; Q511-P513 WeakPolarHBondContact O-CD 3.44Å |
| 512 | R | 57.2 | Low | 61.4 | Low | 194 Ų | 194 | 135.6 Ų | 135.6 | 73% | 0.732 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -69.6 | 122.5 | 173.8 | -70.6 | -169 | 177.7 | -167.2 | -0.1 | 110.5 | V514 | R512-V514 PolarHBondContact O-N 3.47Š|
| 513 | P | 49.3 | Very low | 59.3 | Low | 123 Ų | 123 | 129.7 Ų | 129.7 | 80% | 0.799 | 70% | 0.703 | S | S | * | * | | | trans | -63.4 | 125.2 | -179.8 | -23.1 | 34.4 | 0 | 0 | 0 | 112.1 | Q511 G515 | Q511-P513 WeakPolarHBondContact O-CD 3.44Å; P513-G515 PolarHBondContact O-N 2.82Å |
| 514 | V | 48.9 | Very low | 57.4 | Low | 161 Ų | 161 | 133.6 Ų | 133.6 | 98% | 0.976 | 72% | 0.721 | S | S | * | * | | | trans | -76.7 | 87.9 | 170.8 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | R512 | R512-V514 PolarHBondContact O-N 3.47Š|
| 515 | G | 40.2 | Very low | 55.6 | Low | 59 Ų | 59 | 137 Ų | 137 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | | | trans | -153.8 | 137.8 | -176 | 0 | 0 | 0 | 0 | 0 | 114.1 | P513 | P513-G515 PolarHBondContact O-N 2.82Š|
| 516 | Q | 42.1 | Very low | 54 | Low | 199 Ų | 199 | 141.4 Ų | 141.4 | 93% | 0.93 | 75% | 0.754 | S | S | * | * | | | trans | 62.1 | 72.5 | 168.3 | -55.7 | -174.8 | 4.7 | 0 | 0 | 116.7 | | |
| 517 | M | 42.2 | Very low | 52.7 | Low | 185 Ų | 185 | 143 Ų | 143 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | | | trans | -88.8 | 147.9 | 141.5 | -88.8 | -159.8 | 168.3 | 0 | 0 | 110.3 | | |
| 518 | P | 45.5 | Very low | 51.1 | Low | 110 Ų | 110 | 147.4 Ų | 147.4 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | | | trans | -73.7 | 136.3 | -174.6 | 28.9 | -34.7 | 0 | 0 | 0 | 112.9 | N520 | P518-N520 PolarHBondContact O-N 2.84Š|
| 519 | S | 43.6 | Very low | 49.8 | Very low | 118 Ų | 118 | 152.5 Ų | 152.5 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -75.6 | 39.4 | -172.7 | -172.2 | 0 | 0 | 0 | 0 | 115.2 | | |
| 520 | N | 45.7 | Very low | 48.5 | Very low | 147 Ų | 147 | 152.3 Ų | 152.3 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | | | trans | -125.5 | 26.2 | -170.1 | -75.6 | -22.9 | 0 | 0 | 0 | 114.4 | P518 | P518-N520 PolarHBondContact O-N 2.84Š|
| 521 | Y | 40.8 | Very low | 47.1 | Very low | 232 Ų | 232 | 153 Ų | 153 | 91% | 0.91 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -143.3 | 22.7 | 175.9 | -115.5 | -82 | 0 | 0 | 0 | 115.3 | | |
| 522 | V | 43.9 | Very low | 46.2 | Very low | 150 Ų | 150 | 154.3 Ų | 154.3 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | | | trans | -117.9 | 94.7 | 175.9 | -177.2 | 0 | 0 | 0 | 0 | 109 | | |
| 523 | G | 40.2 | Very low | 45.5 | Very low | 77 Ų | 77 | 152.1 Ų | 152.1 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | S | Bend | trans | 173.9 | 31 | -175.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 524 | N | 47.3 | Very low | 45.3 | Very low | 156 Ų | 156 | 153.1 Ų | 153.1 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -153.2 | 12.3 | 175.5 | -138.2 | -2.3 | 0 | 0 | 0 | 117.6 | | |
| 525 | M | 47.1 | Very low | 44.9 | Very low | 171 Ų | 171 | 149.1 Ų | 149.1 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -112.7 | -16.3 | 175.9 | -75.4 | -161.3 | -95.8 | 0 | 0 | 114.8 | N527 K528 | M525-N527 PolarHBondContact O-N 2.78Å; M525-K528 PolarHBondContact O-N 2.63Å |
| 526 | E | 47.2 | Very low | 45.3 | Very low | 168 Ų | 168 | 154.2 Ų | 154.2 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | G | 310 helix | trans | -75 | -25.4 | -171.8 | -155.3 | 155.4 | -158.4 | 0 | 0 | 113.5 | K528 | E526-K528 VanDerWaalsContact C-N 3.26Å; E526-K528 PolarHBondContact O-N 3.36Å |
| 527 | N | 49.3 | Very low | 45.3 | Very low | 145 Ų | 145 | 156.5 Ų | 156.5 | 78% | 0.775 | 83% | 0.826 | S | S | * | * | G | 310 helix | trans | -78.4 | 4.3 | 177.2 | -77.8 | -18.6 | 0 | 0 | 0 | 114.8 | M525 | M525-N527 PolarHBondContact O-N 2.78Š|
| 528 | K | 47.7 | Very low | 45.2 | Very low | 175 Ų | 175 | 151.2 Ų | 151.2 | 76% | 0.761 | 82% | 0.818 | S | S | * | * | G | 310 helix | trans | -115 | 4.4 | -174.2 | -142.6 | 172.5 | -175.7 | 177.9 | 0 | 115.9 | M525 E526 | M525-K528 PolarHBondContact O-N 2.63Å; E526-K528 VanDerWaalsContact C-N 3.26Å; E526-K528 PolarHBondContact O-N 3.36Å |
| 529 | M | 49.7 | Very low | 45.4 | Very low | 162 Ų | 162 | 153 Ų | 153 | 80% | 0.798 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -108.8 | -2.7 | 173 | -73.5 | -150.1 | -68.4 | 0 | 0 | 115 | | |
| 530 | Q | 48.3 | Very low | 45.3 | Very low | 162 Ų | 162 | 153 Ų | 153 | 76% | 0.757 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -91.3 | -10.1 | -178.3 | -65 | -170.5 | 1.7 | 0 | 0 | 114.7 | | |
| 531 | E | 45 | Very low | 45.5 | Very low | 175 Ų | 175 | 154.2 Ų | 154.2 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -93 | -6.9 | -177.3 | -64.8 | -166.4 | 128.2 | 0 | 0 | 115.5 | | |
| 532 | M | 48.7 | Very low | 45.5 | Very low | 171 Ų | 171 | 146.1 Ų | 146.1 | 84% | 0.842 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -94.8 | 10.8 | -179.3 | -76.8 | -166.2 | -72.8 | 0 | 0 | 115.1 | | |
| 533 | N | 42 | Very low | 46.2 | Very low | 149 Ų | 149 | 145.3 Ų | 145.3 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | | | trans | -111.8 | 44.5 | -174.5 | -161.7 | 10.2 | 0 | 0 | 0 | 114.3 | | |
| 534 | V | 44.9 | Very low | 46.6 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | | | trans | -137.5 | 116.2 | 171.6 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 535 | G | 41.7 | Very low | 47 | Very low | 77 Ų | 77 | 143.1 Ų | 143.1 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | | | trans | 111.2 | 76.2 | 151.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 536 | N | 47.7 | Very low | 47.6 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | | | trans | -148.3 | 124.9 | 134.9 | -150.4 | -19.5 | 0 | 0 | 0 | 111.9 | | |
| 537 | R | 42.9 | Very low | 47.6 | Very low | 248 Ų | 248 | 138.1 Ų | 138.1 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | | | trans | -140.7 | 123.5 | 177.4 | -103.1 | -166.8 | 178.8 | -165 | 2.6 | 110.2 | | |
| 538 | G | 40.2 | Very low | 47.6 | Very low | 73 Ų | 73 | 135.2 Ų | 135.2 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | | | trans | 105.6 | 98.1 | 140.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 539 | T | 48.9 | Very low | 47.7 | Very low | 148 Ų | 148 | 136 Ų | 136 | 91% | 0.908 | 80% | 0.799 | S | S | * | * | | | trans | -136.6 | 123.1 | 140.7 | 50.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 540 | S | 41.2 | Very low | 47.6 | Very low | 119 Ų | 119 | 135 Ų | 135 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | trans | -143.3 | 152 | 179.2 | 58.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 541 | I | 51.8 | Low | 47.8 | Very low | 172 Ų | 172 | 134.4 Ų | 134.4 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | | | trans | -132 | 128.5 | 177.2 | -61.4 | 179.6 | 0 | 0 | 0 | 107.6 | | |
| 542 | G | 40.2 | Very low | 48.1 | Very low | 62 Ų | 62 | 132.4 Ų | 132.4 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | | | trans | -91.4 | -143.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 543 | P | 57.2 | Low | 47.7 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | | | cis | -109.1 | -153.5 | 12.8 | 45.5 | -36.2 | 0 | 0 | 0 | 111.5 | | |
| 544 | S | 50.3 | Low | 47.8 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | | | cis | -159.3 | 141 | 4.6 | 53.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 545 | A | 55.9 | Low | 47.7 | Very low | 90 Ų | 90 | 137.6 Ų | 137.6 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | | | | 60 | 154.3 | 128.9 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 546 | P | 58.2 | Low | 47.6 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | cis | -142.9 | -177.5 | -34.2 | 38.7 | -21.4 | 0 | 0 | 0 | 115.3 | | |
| 547 | S | 48 | Very low | 47.4 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | | | trans | 82.5 | 134.1 | 154.7 | -147.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 548 | S | 48.8 | Very low | 47.3 | Very low | 84 Ų | 84 | 132.4 Ų | 132.4 | 59% | 0.587 | 77% | 0.771 | S | S | * | * | | | cis | -166.5 | 156.1 | -11.3 | 58.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 549 | K | 51.1 | Low | 47.3 | Very low | 190 Ų | 190 | 134.9 Ų | 134.9 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | | | trans | 67 | 152.1 | 157.6 | -65.4 | 165.1 | -177.8 | 177.1 | 0 | 116.9 | | |
| 550 | L | 47.1 | Very low | 46.8 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | cis | -149.2 | 162.1 | -4.9 | -152.8 | 74.8 | 0 | 0 | 0 | 110.4 | | |
| 551 | M | 51.2 | Low | 47 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | trans | 7.3 | 153.9 | 153.4 | -77.2 | 165 | 137.5 | 0 | 0 | 122.7 | | |
| 552 | D | 52 | Low | 46.5 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | | | cis | -152 | 173.6 | 13.1 | -132.8 | -30.6 | 0 | 0 | 0 | 115.7 | | |
| 553 | Y | 40.3 | Very low | 46.6 | Very low | 221 Ų | 221 | 137.6 Ų | 137.6 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | | | trans | -98 | 158.9 | 179.5 | -110.1 | -108.7 | 0 | 0 | 0 | 113.9 | | |
| 554 | R | 43.6 | Very low | 46.2 | Very low | 236 Ų | 236 | 138.5 Ų | 138.5 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | | | trans | 149 | 148.2 | 146.8 | -85.8 | -169.6 | 174.9 | -170.8 | -1.4 | 111.1 | | |
| 555 | T | 44.3 | Very low | 45.7 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | cis | -159.1 | 145.4 | -24.8 | -70.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 556 | S | 38.8 | Very low | 45.2 | Very low | 113 Ų | 113 | 146.5 Ų | 146.5 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | -106 | 128.1 | 177.3 | 43.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 557 | Q | 43.5 | Very low | 44.4 | Very low | 178 Ų | 178 | 149.7 Ų | 149.7 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | -158.1 | 154.9 | 168.8 | -77.9 | -169.8 | -7.9 | 0 | 0 | 108.5 | | |
| 558 | S | 40 | Very low | 44.4 | Very low | 91 Ų | 91 | 149 Ų | 149 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | | | cis | -171.8 | 157.7 | -22.5 | 59.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 559 | C | 41.8 | Very low | 44 | Very low | 125 Ų | 125 | 150 Ų | 150 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | | | trans | 84.3 | 148.6 | 153.8 | -60.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 560 | Q | 36.8 | Very low | 43.6 | Very low | 182 Ų | 182 | 149.7 Ų | 149.7 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | | | trans | -112.6 | -138 | 171.8 | -73.3 | -170.6 | -18.4 | 0 | 0 | 109.4 | | |
| 561 | P | 46.1 | Very low | 43.4 | Very low | 104 Ų | 104 | 149.2 Ų | 149.2 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | | | | -118.7 | -177.6 | -91.5 | 33.9 | -18.1 | 0 | 0 | 0 | 113.1 | | |
| 562 | T | 41.9 | Very low | 42.8 | Very low | 143 Ų | 143 | 146 Ų | 146 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | | | trans | -164.1 | 162.7 | 146.4 | 4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 563 | V | 41.2 | Very low | 42.2 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 79% | 0.788 | 81% | 0.805 | S | S | * | * | | | trans | -122.8 | 157.4 | 174.8 | -76.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 564 | N | 49.6 | Very low | 42.4 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | | | trans | -172.5 | 129.7 | 154.2 | -81.7 | -29.6 | 0 | 0 | 0 | 104.8 | | |
| 565 | E | 40.3 | Very low | 42.4 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | | | cis | 81 | 99.7 | 36.8 | -166.5 | 173.2 | -121.7 | 0 | 0 | 114.4 | | |
| 566 | M | 44.1 | Very low | 42.4 | Very low | 187 Ų | 187 | 137.2 Ų | 137.2 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | | | trans | -172.3 | 151.8 | 133.6 | -108.1 | 175.8 | -78.8 | 0 | 0 | 115.1 | | |
| 567 | H | 41.6 | Very low | 42.5 | Very low | 186 Ų | 186 | 134.8 Ų | 134.8 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | | | trans | -70.5 | -179.2 | -166.1 | -109.8 | -128.4 | 0 | 0 | 0 | 118.4 | | |
| 568 | P | 49.3 | Very low | 42.7 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 66% | 0.662 | 80% | 0.796 | S | S | * | * | | | trans | -110.2 | -176.7 | -165.7 | 43.4 | -36.6 | 0 | 0 | 0 | 114.7 | | |
| 569 | S | 39.8 | Very low | 42.9 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | | | | 165.9 | 141.5 | 124.8 | 49.5 | 0 | 0 | 0 | 0 | 116.6 | | |
| 570 | Q | 42.1 | Very low | 43.2 | Very low | 182 Ų | 182 | 141.2 Ų | 141.2 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | | | trans | 56 | 153.5 | 142.2 | -66.4 | -173.7 | 3.1 | 0 | 0 | 124.3 | | |
| 571 | S | 43.6 | Very low | 43.8 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 92% | 0.923 | 80% | 0.802 | S | S | * | * | | | trans | 68 | 147 | 176.5 | 76.3 | 0 | 0 | 0 | 0 | 116.6 | | |
| 572 | G | 38.2 | Very low | 43.7 | Very low | 82 Ų | 82 | 136.9 Ų | 136.9 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | | | cis | 161.5 | 112.9 | -11 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 573 | G | 39.7 | Very low | 43.8 | Very low | 74 Ų | 74 | 135.2 Ų | 135.2 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | | | trans | 133.5 | 160.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 574 | V | 43.8 | Very low | 43.8 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | | | cis | 170.3 | 142.9 | -32.5 | 136.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 575 | L | 44 | Very low | 43.6 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | | | trans | 65.9 | 148.2 | 175.6 | -69.4 | 161.3 | 0 | 0 | 0 | 115.8 | | |
| 576 | L | 44.7 | Very low | 43.9 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | | | cis | -133.8 | 172.8 | -8.5 | -68 | 97.9 | 0 | 0 | 0 | 108.1 | | |
| 577 | G | 41.4 | Very low | 44 | Very low | 63 Ų | 63 | 130.6 Ų | 130.6 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | | | cis | 141.5 | 149.9 | -3.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 578 | S | 46.5 | Very low | 44.3 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | 83.7 | 143.3 | -176.7 | -49.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 579 | Q | 44.4 | Very low | 44 | Very low | 177 Ų | 177 | 127.1 Ų | 127.1 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | | | cis | -155.9 | 137.3 | -11.6 | -96.6 | 158.1 | 20.7 | 0 | 0 | 104.8 | | |
| 580 | R | 47.3 | Very low | 44.1 | Very low | 236 Ų | 236 | 131.7 Ų | 131.7 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | | | cis | 66.5 | 140.9 | 43.3 | -114.5 | -150.4 | 171.3 | -158.1 | -2.3 | 115.1 | | |
| 581 | P | 50.9 | Low | 44 | Very low | 112 Ų | 112 | 126 Ų | 126 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | cis | -135.8 | -165.7 | -12.2 | 42.6 | -24 | 0 | 0 | 0 | 114.9 | | |
| 582 | A | 44.2 | Very low | 44 | Very low | 84 Ų | 84 | 126.6 Ų | 126.6 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | | | trans | -81.8 | -175.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 583 | S | 42.4 | Very low | 44.1 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | | -174.3 | 149.9 | 64.2 | -52.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 584 | A | 42.4 | Very low | 44.2 | Very low | 101 Ų | 101 | 128.4 Ų | 128.4 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | | | trans | 50.9 | 129.5 | 134.7 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 585 | E | 44.9 | Very low | 44.1 | Very low | 188 Ų | 188 | 127.2 Ų | 127.2 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | | | trans | -151.7 | 126.1 | 138.4 | -151.3 | 170 | -137.4 | 0 | 0 | 111 | | |
| 586 | T | 46.8 | Very low | 43.8 | Very low | 150 Ų | 150 | 125.3 Ų | 125.3 | 92% | 0.92 | 80% | 0.802 | S | S | * | * | | | trans | -160.4 | 120.1 | 166.9 | -56.1 | 0 | 0 | 0 | 0 | 107.7 | | |
| 587 | A | 46.2 | Very low | 44.2 | Very low | 98 Ų | 98 | 122.6 Ų | 122.6 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | | | trans | -121.8 | 131 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 588 | A | 48.2 | Very low | 44.3 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | | | trans | -158.7 | 128.3 | 154.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 589 | T | 42.2 | Very low | 44.1 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | | | trans | -146.7 | 158.8 | -179.8 | -57.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 590 | F | 42.9 | Very low | 44 | Very low | 202 Ų | 202 | 125.2 Ų | 125.2 | 89% | 0.886 | 80% | 0.798 | S | S | * | * | | | trans | 69.3 | 139.2 | -170.9 | -44.1 | -79.2 | 0 | 0 | 0 | 112.5 | | |
| 591 | G | 39.5 | Very low | 43.7 | Very low | 62 Ų | 62 | 121.4 Ų | 121.4 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | | | cis | 114.2 | 109.3 | 10.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 592 | T | 42.5 | Very low | 43.3 | Very low | 144 Ų | 144 | 121.8 Ų | 121.8 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | | | | 176 | 172 | 84.3 | 35.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 593 | A | 41.5 | Very low | 43 | Very low | 94 Ų | 94 | 121.9 Ų | 121.9 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | | | trans | 66.3 | 133.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 594 | A | 40.9 | Very low | 43.1 | Very low | 101 Ų | 101 | 123.3 Ų | 123.3 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | | | cis | 72.3 | 132.6 | 42.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 595 | A | 43 | Very low | 43.2 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | | | cis | -137.5 | 175.8 | 25.5 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 596 | S | 37.4 | Very low | 43.5 | Very low | 113 Ų | 113 | 121.1 Ų | 121.1 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | | | trans | -113.5 | -173.6 | 168 | -137.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 597 | P | 51.8 | Low | 43 | Very low | 109 Ų | 109 | 119.6 Ų | 119.6 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | | | cis | -131.7 | -118.8 | -16.3 | 39.3 | -19.1 | 0 | 0 | 0 | 111.4 | | |
| 598 | V | 44.8 | Very low | 42.8 | Very low | 119 Ų | 119 | 119 Ų | 119 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | | | trans | 84.8 | 111.8 | 178.3 | -175.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 599 | Q | 42.1 | Very low | 42.5 | Very low | 175 Ų | 175 | 120.3 Ų | 120.3 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | cis | 84.3 | 97.5 | 41.4 | -68.6 | -169.6 | -20.5 | 0 | 0 | 116.6 | | |
| 600 | S | 41.7 | Very low | 42.6 | Very low | 116 Ų | 116 | 124 Ų | 124 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | | | trans | 174.9 | 118.1 | 137.3 | 53.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 601 | N | 41.6 | Very low | 42.4 | Very low | 155 Ų | 155 | 118.2 Ų | 118.2 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | | | cis | 72.8 | 136.3 | 44.3 | -80 | -8.8 | 0 | 0 | 0 | 117.1 | | |
| 602 | S | 41.5 | Very low | 42.4 | Very low | 121 Ų | 121 | 119 Ų | 119 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | 80.8 | 152.5 | 157 | 79.7 | 0 | 0 | 0 | 0 | 119.3 | | |
| 603 | A | 38.9 | Very low | 42.3 | Very low | 85 Ų | 85 | 116.4 Ų | 116.4 | 70% | 0.702 | 80% | 0.804 | S | S | * | * | | | cis | -176.8 | -171.2 | -27.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 604 | V | 43.9 | Very low | 42.2 | Very low | 139 Ų | 139 | 115.6 Ų | 115.6 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | | | trans | 94.7 | 119.2 | 151.9 | -171.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 605 | T | 44.3 | Very low | 42 | Very low | 121 Ų | 121 | 114.4 Ų | 114.4 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | | | trans | -89.2 | 161.2 | 167.4 | 48.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 606 | P | 50.8 | Low | 42.1 | Very low | 122 Ų | 122 | 115.2 Ų | 115.2 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | | | | -133.2 | 163.5 | 100.6 | 11.3 | 11.1 | 0 | 0 | 0 | 112.1 | | |
| 607 | S | 38 | Very low | 42.2 | Very low | 117 Ų | 117 | 116.8 Ų | 116.8 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | cis | 98.2 | 157 | 25.8 | -157.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 608 | A | 41.9 | Very low | 41.5 | Very low | 86 Ų | 86 | 118.7 Ų | 118.7 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | | | trans | 73.4 | 128.8 | -162.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 609 | V | 41.6 | Very low | 41.2 | Very low | 130 Ų | 130 | 118.1 Ų | 118.1 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | | | cis | 88.6 | 141.5 | 16.2 | -169.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 610 | M | 44.1 | Very low | 41.1 | Very low | 190 Ų | 190 | 113.7 Ų | 113.7 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | | | trans | 71.5 | 140.6 | -157.8 | -49.8 | -65.2 | -164.9 | 0 | 0 | 112 | | |
| 611 | G | 38.4 | Very low | 41.2 | Very low | 81 Ų | 81 | 114.5 Ų | 114.5 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | cis | 154.4 | 156.1 | 0.8 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 612 | G | 39.8 | Very low | 41.3 | Very low | 79 Ų | 79 | 116.5 Ų | 116.5 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | | | cis | 172.1 | 162.1 | -3.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 613 | G | 40.9 | Very low | 41.4 | Very low | 89 Ų | 89 | 117.1 Ų | 117.1 | 92% | 0.918 | 79% | 0.79 | S | S | * | * | | | trans | 83.9 | 156.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 614 | G | 39.4 | Very low | 41.8 | Very low | 78 Ų | 78 | 123.5 Ų | 123.5 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | cis | -160.8 | 153.5 | -0.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 615 | G | 36.5 | Very low | 42.2 | Very low | 76 Ų | 76 | 121.1 Ų | 121.1 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | | | trans | -85.1 | -156.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 616 | P | 45.9 | Very low | 42.5 | Very low | 119 Ų | 119 | 122.8 Ų | 122.8 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | trans | -121 | -162 | -137.9 | 35.2 | -17 | 0 | 0 | 0 | 113.9 | | |
| 617 | L | 38.7 | Very low | 42.2 | Very low | 145 Ų | 145 | 122.2 Ų | 122.2 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | | | trans | 93.1 | 123.8 | 164.7 | -58.4 | 165.8 | 0 | 0 | 0 | 117.8 | | |
| 618 | L | 37.5 | Very low | 42.3 | Very low | 149 Ų | 149 | 121.8 Ų | 121.8 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | | | trans | 65.1 | 128.1 | 131 | -64.2 | 173.9 | 0 | 0 | 0 | 121.4 | | |
| 619 | S | 37.3 | Very low | 42.5 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | 80.3 | 107.8 | 133.1 | -64.6 | 0 | 0 | 0 | 0 | 121.2 | | |
| 620 | A | 40.5 | Very low | 42.4 | Very low | 83 Ų | 83 | 123.1 Ų | 123.1 | 69% | 0.686 | 78% | 0.778 | S | S | * | * | | | | 106.5 | 131.5 | 112.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 621 | T | 43.3 | Very low | 42.3 | Very low | 133 Ų | 133 | 124 Ų | 124 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | | | trans | 67.1 | 107.4 | 143.1 | 50.7 | 0 | 0 | 0 | 0 | 121.8 | | |
| 622 | K | 43.9 | Very low | 42.3 | Very low | 196 Ų | 196 | 128.9 Ų | 128.9 | 85% | 0.852 | 78% | 0.778 | S | S | * | * | | | | 157.3 | 144.9 | 125.7 | -86.3 | 176.2 | 173.7 | -178 | 0 | 108.1 | | |
| 623 | I | 45.1 | Very low | 42.4 | Very low | 134 Ų | 134 | 131 Ų | 131 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | | | cis | -156.2 | 124.9 | -4.6 | -114 | 158.7 | 0 | 0 | 0 | 104.7 | | |
| 624 | R | 46.4 | Very low | 42.2 | Very low | 219 Ų | 219 | 130 Ų | 130 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | | | | 67.6 | 144.1 | 86.5 | -160.5 | -150.5 | -179.2 | -168.4 | 1.2 | 113.4 | | |
| 625 | P | 51.8 | Low | 42.3 | Very low | 90 Ų | 90 | 133.6 Ų | 133.6 | 58% | 0.584 | 78% | 0.775 | S | S | * | * | | | cis | -116.2 | -165.7 | -16.6 | 17.6 | 9.4 | 0 | 0 | 0 | 111.7 | | |
| 626 | E | 51 | Low | 42.3 | Very low | 156 Ų | 156 | 135 Ų | 135 | 73% | 0.729 | 77% | 0.773 | S | S | * | * | | | cis | -157.2 | 152.7 | 42.6 | -79.9 | -78.3 | 105.5 | 0 | 0 | 113.9 | | |
| 627 | V | 44.1 | Very low | 42.1 | Very low | 110 Ų | 110 | 139 Ų | 139 | 67% | 0.667 | 78% | 0.779 | S | S | * | * | | | trans | 39.6 | 106.2 | 148.3 | -177.1 | 0 | 0 | 0 | 0 | 118.6 | | |
| 628 | S | 40.8 | Very low | 42.3 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | | 66.3 | 141.7 | 64.5 | -52.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 629 | T | 46.1 | Very low | 42.6 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | | | cis | -144.5 | 168.3 | 24.9 | 51.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 630 | S | 38.4 | Very low | 42.9 | Very low | 104 Ų | 104 | 140.3 Ų | 140.3 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -117.3 | 152.3 | 177.4 | 58 | 0 | 0 | 0 | 0 | 112.7 | | |
| 631 | F | 42.1 | Very low | 43.1 | Very low | 208 Ų | 208 | 142.1 Ų | 142.1 | 91% | 0.912 | 77% | 0.772 | S | S | * | * | | | trans | -149.1 | 153.8 | 154.8 | -102.3 | -72.9 | 0 | 0 | 0 | 113.7 | | |
| 632 | H | 39.6 | Very low | 43.4 | Very low | 185 Ų | 185 | 142.2 Ų | 142.2 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | | | trans | -112.7 | 141.7 | 172.5 | -76.2 | -12.6 | 0 | 0 | 0 | 110.7 | | |
| 633 | S | 40.9 | Very low | 43.6 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 87% | 0.867 | 76% | 0.764 | S | S | * | * | | | trans | -177.1 | 145.4 | 135.9 | 53.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 634 | G | 36.5 | Very low | 43.6 | Very low | 67 Ų | 67 | 138 Ų | 138 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | | | trans | -107.6 | -141.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 635 | V | 42.7 | Very low | 43.6 | Very low | 153 Ų | 153 | 133 Ų | 133 | 93% | 0.927 | 76% | 0.762 | S | S | * | * | | | trans | 92.7 | 140.8 | -177.8 | -173.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 636 | S | 36.6 | Very low | 43.2 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | | | trans | -115.8 | 176.8 | -170.8 | -38.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 637 | K | 41.2 | Very low | 42.8 | Very low | 204 Ų | 204 | 139.6 Ų | 139.6 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | | | trans | 95.2 | 152.6 | -175.1 | -62.5 | 176.7 | 176.9 | -173.8 | 0 | 113.7 | | |
| 638 | S | 43.7 | Very low | 42.5 | Very low | 84 Ų | 84 | 138.5 Ų | 138.5 | 59% | 0.587 | 79% | 0.792 | S | S | * | * | | | cis | -163 | 166 | -28.5 | 58 | 0 | 0 | 0 | 0 | 109.3 | | |
| 639 | E | 43 | Very low | 42.4 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | | | trans | 35.3 | 111.6 | 151.2 | -61.5 | 149.3 | 141.7 | 0 | 0 | 119.7 | | |
| 640 | H | 44.3 | Very low | 42.2 | Very low | 179 Ų | 179 | 140.9 Ų | 140.9 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | | | | -169.9 | 168.8 | 103.7 | -111.6 | -53.1 | 0 | 0 | 0 | 115 | | |
| 641 | D | 44.3 | Very low | 43.1 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 65% | 0.647 | 79% | 0.787 | S | S | * | * | | | trans | -85.4 | -178.3 | -164.8 | -54.8 | -97 | 0 | 0 | 0 | 116.4 | | |
| 642 | T | 49.4 | Very low | 43.3 | Very low | 136 Ų | 136 | 139 Ų | 139 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | | | trans | 76.5 | 148.4 | 156.4 | 66.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 643 | S | 47.6 | Very low | 43.6 | Very low | 95 Ų | 95 | 133.3 Ų | 133.3 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | | | cis | -168.9 | 149.5 | -28.7 | 56.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 644 | N | 44.6 | Very low | 44 | Very low | 145 Ų | 145 | 136.3 Ų | 136.3 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | | | trans | 58.8 | 120.7 | 148 | -79.6 | -12.1 | 0 | 0 | 0 | 122.2 | | |
| 645 | V | 47.4 | Very low | 44.5 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | | | | 58.5 | 116.8 | 121.7 | -179.1 | 0 | 0 | 0 | 0 | 118.8 | | |
| 646 | Q | 43.2 | Very low | 45.1 | Very low | 183 Ų | 183 | 135.4 Ų | 135.4 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | | | | -169.8 | -175 | 89.1 | -143.2 | 147.8 | 32.5 | 0 | 0 | 113.7 | | |
| 647 | K | 42.7 | Very low | 45.6 | Very low | 203 Ų | 203 | 135.1 Ų | 135.1 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | | | trans | -80.6 | 150.2 | -166.5 | -62.3 | 175.8 | 175.7 | 179.6 | 0 | 113.9 | | |
| 648 | G | 38.3 | Very low | 46.1 | Very low | 86 Ų | 86 | 131.7 Ų | 131.7 | 89% | 0.887 | 76% | 0.758 | S | S | * | * | | | trans | -88.6 | -158 | -174 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 649 | G | 38.7 | Very low | 46.2 | Very low | 62 Ų | 62 | 134.9 Ų | 134.9 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | | | trans | 155.4 | 110.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 650 | Y | 40.5 | Very low | 46.2 | Very low | 235 Ų | 235 | 132.4 Ų | 132.4 | 92% | 0.922 | 77% | 0.77 | S | S | * | * | | | trans | 61.3 | -176.5 | 157.6 | -55.4 | -75.2 | 0 | 0 | 0 | 116.6 | | |
| 651 | P | 57.1 | Low | 46.1 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | | | cis | -138.4 | -178.8 | -5.5 | 43 | -25.7 | 0 | 0 | 0 | 117.3 | | |
| 652 | L | 47.7 | Very low | 46.2 | Very low | 170 Ų | 170 | 128.6 Ų | 128.6 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | | | trans | 65.8 | 164.3 | 147.7 | -105.7 | 66 | 0 | 0 | 0 | 119.7 | | |
| 653 | A | 46.2 | Very low | 46 | Very low | 65 Ų | 65 | 129.6 Ų | 129.6 | 54% | 0.537 | 78% | 0.778 | S | S | . | * | | | cis | -158.1 | 174.7 | -5.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 654 | E | 49.2 | Very low | 45.8 | Very low | 187 Ų | 187 | 128.6 Ų | 128.6 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | 70.7 | 139.7 | 154.4 | -69.9 | 152.8 | -141.2 | 0 | 0 | 121.1 | | |
| 655 | A | 45.9 | Very low | 45.8 | Very low | 89 Ų | 89 | 133.6 Ų | 133.6 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | | | cis | 106.1 | 155.8 | 11.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 656 | P | 56.2 | Low | 46.1 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | cis | -143.6 | 160.8 | -26.2 | 38.6 | -19.2 | 0 | 0 | 0 | 118.7 | | |
| 657 | S | 46.2 | Very low | 46.2 | Very low | 100 Ų | 100 | 133.8 Ų | 133.8 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | | | trans | 64.8 | 153.7 | 133.9 | 73.4 | 0 | 0 | 0 | 0 | 127.8 | | |
| 658 | T | 51.9 | Low | 46.3 | Very low | 133 Ų | 133 | 127.5 Ų | 127.5 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | | | trans | 87.5 | 159.5 | 155.5 | 71.7 | 0 | 0 | 0 | 0 | 122 | | |
| 659 | N | 45.1 | Very low | 46.4 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | | | | -167.8 | 174.2 | -52.2 | -150.8 | -7 | 0 | 0 | 0 | 112 | | |
| 660 | S | 43.1 | Very low | 46.6 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | | | trans | 87 | 175.2 | 158.3 | 83.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 661 | S | 42.2 | Very low | 46.5 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | trans | -166.5 | 151.7 | -145.2 | 59.3 | 0 | 0 | 0 | 0 | 116.7 | | |
| 662 | S | 46.3 | Very low | 45.8 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | trans | -168.4 | 120.4 | 155.9 | 56.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 663 | V | 45.9 | Very low | 45.4 | Very low | 156 Ų | 156 | 126.3 Ų | 126.3 | 95% | 0.945 | 79% | 0.79 | S | S | * | * | | | | 69.7 | 122 | 89.5 | 177.3 | 0 | 0 | 0 | 0 | 116.3 | | |
| 664 | G | 43 | Very low | 45 | Very low | 74 Ų | 74 | 131.1 Ų | 131.1 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | | | trans | 178 | 150.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 665 | R | 44.7 | Very low | 44.5 | Very low | 251 Ų | 251 | 128.1 Ų | 128.1 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | | | trans | -129.3 | 153.3 | -176.9 | -81.7 | -175.8 | 172.2 | -172.4 | -1.8 | 113.1 | | |
| 666 | P | 53.7 | Low | 44.3 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | | | trans | -95 | 164.6 | 174.9 | 38.6 | -35.8 | 0 | 0 | 0 | 113.8 | | |
| 667 | I | 46.7 | Very low | 43.5 | Very low | 184 Ų | 184 | 135.4 Ų | 135.4 | 94% | 0.944 | 81% | 0.807 | S | S | * | * | | | trans | -172.3 | 151.4 | 160.1 | -101.4 | 149.7 | 0 | 0 | 0 | 109.4 | | |
| 668 | G | 42.9 | Very low | 43.6 | Very low | 70 Ų | 70 | 138.9 Ų | 138.9 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | | | trans | 123.2 | 106.4 | 149 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 669 | N | 41.2 | Very low | 43 | Very low | 164 Ų | 164 | 140.3 Ų | 140.3 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | | | trans | -91.1 | 157.7 | 163 | -62.6 | -27.8 | 0 | 0 | 0 | 110.6 | | |
| 670 | V | 42 | Very low | 43 | Very low | 151 Ų | 151 | 136.6 Ų | 136.6 | 92% | 0.915 | 82% | 0.816 | S | S | * | * | | | | -179 | 158.3 | 129.6 | 144.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 671 | A | 39.6 | Very low | 42.8 | Very low | 86 Ų | 86 | 137.1 Ų | 137.1 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | | | trans | -122.1 | -165.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 672 | V | 42.3 | Very low | 43 | Very low | 131 Ų | 131 | 138.8 Ų | 138.8 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | | | trans | 101.8 | 97.4 | 161.6 | -172.9 | 0 | 0 | 0 | 0 | 117.7 | | |
| 673 | S | 39.5 | Very low | 42.9 | Very low | 100 Ų | 100 | 144.8 Ų | 144.8 | 70% | 0.699 | 82% | 0.823 | S | S | * | * | | | trans | 71.8 | 149.9 | 133.6 | 85.4 | 0 | 0 | 0 | 0 | 125.1 | | |
| 674 | H | 37.7 | Very low | 42.4 | Very low | 165 Ų | 165 | 146.5 Ų | 146.5 | 76% | 0.764 | 82% | 0.82 | S | S | * | * | | | trans | 104.8 | 130.8 | 133.9 | -132.5 | -70.7 | 0 | 0 | 0 | 121.6 | | |
| 675 | T | 39.3 | Very low | 43.3 | Very low | 125 Ų | 125 | 149 Ų | 149 | 77% | 0.767 | 82% | 0.823 | S | S | * | * | | | trans | 89.5 | 146.3 | 154.5 | -14.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 676 | Q | 41.4 | Very low | 43.4 | Very low | 177 Ų | 177 | 142.3 Ų | 142.3 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | | | trans | -99.2 | -174.8 | 179 | -61.6 | 169.6 | -41.7 | 0 | 0 | 111.4 | | |
| 677 | M | 39.6 | Very low | 42.7 | Very low | 177 Ų | 177 | 143.5 Ų | 143.5 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | | | trans | 78.9 | 99.7 | 169.8 | -48.4 | -159.5 | -44.5 | 0 | 0 | 117.4 | | |
| 678 | I | 47.1 | Very low | 42.6 | Very low | 172 Ų | 172 | 140.8 Ų | 140.8 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | | | trans | -137 | 117 | 140.1 | -60.8 | -176.1 | 0 | 0 | 0 | 107.4 | | |
| 679 | D | 39 | Very low | 42.5 | Very low | 163 Ų | 163 | 145 Ų | 145 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | | | trans | -82.2 | 141.5 | 165.8 | -102.3 | -48.9 | 0 | 0 | 0 | 110.3 | | |
| 680 | G | 45.1 | Very low | 42.7 | Very low | 72 Ų | 72 | 145.2 Ų | 145.2 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | | | trans | -125.1 | 72.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | I682 | G680-I682 PolarHBondContact O-N 3.25Š|
| 681 | C | 39.5 | Very low | 42.6 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | trans | -76 | 119.8 | 179.3 | -63.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 682 | I | 46.8 | Very low | 42.6 | Very low | 147 Ų | 147 | 146.5 Ų | 146.5 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | | | trans | -131.1 | 100.7 | 169.1 | -59.7 | -173.8 | 0 | 0 | 0 | 112.3 | G680 | G680-I682 PolarHBondContact O-N 3.25Š|
| 683 | R | 44.6 | Very low | 42.5 | Very low | 235 Ų | 235 | 147.9 Ų | 147.9 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | | | trans | 60.8 | 108.2 | 145.5 | -58.9 | 171.8 | -175.8 | -104.2 | -2.5 | 120.3 | | |
| 684 | Q | 34.9 | Very low | 42.3 | Very low | 191 Ų | 191 | 152.9 Ų | 152.9 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | | | trans | -96.7 | 154.1 | 135 | -72.8 | -173.8 | -16.1 | 0 | 0 | 110.2 | | |
| 685 | P | 60.9 | Low | 42.4 | Very low | 127 Ų | 127 | 151.9 Ų | 151.9 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | trans | -102.4 | 149.6 | 157.5 | 36.1 | -28.7 | 0 | 0 | 0 | 111.7 | | |
| 686 | S | 48.1 | Very low | 42.4 | Very low | 110 Ų | 110 | 151.3 Ų | 151.3 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | trans | -105.3 | 147.7 | -171.5 | 50.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 687 | I | 38.8 | Very low | 42.5 | Very low | 143 Ų | 143 | 147.7 Ų | 147.7 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | | | trans | -4.7 | 137.5 | 149.6 | -52.8 | 157.8 | 0 | 0 | 0 | 116.5 | L689 | I687-L689 HydrophobicContact CG2-CG 4.41Š|
| 688 | P | 45.4 | Very low | 42.7 | Very low | 126 Ų | 126 | 150.3 Ų | 150.3 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | | -119.7 | 145.5 | 126.5 | 35.1 | -31.7 | 0 | 0 | 0 | 113 | | |
| 689 | L | 39.7 | Very low | 43.1 | Very low | 159 Ų | 159 | 150.1 Ų | 150.1 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | | | trans | -77.8 | 152.1 | 171.6 | -66.4 | 159.1 | 0 | 0 | 0 | 110.7 | I687 | I687-L689 HydrophobicContact CG2-CG 4.41Š|
| 690 | L | 44.8 | Very low | 43.9 | Very low | 169 Ų | 169 | 146.7 Ų | 146.7 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | | | trans | -162.3 | 168.2 | 134.4 | -110.3 | 171.1 | 0 | 0 | 0 | 113 | | |
| 691 | L | 40.2 | Very low | 44 | Very low | 136 Ų | 136 | 150.6 Ų | 150.6 | 71% | 0.712 | 80% | 0.798 | S | S | * | * | | | trans | -79.3 | 160.5 | -161 | -98.9 | 60.4 | 0 | 0 | 0 | 116.3 | | |
| 692 | N | 39.2 | Very low | 44.3 | Very low | 128 Ų | 128 | 149.1 Ų | 149.1 | 68% | 0.684 | 80% | 0.795 | S | S | * | * | | | trans | 91.1 | 132 | 136.6 | -86.1 | -15 | 0 | 0 | 0 | 123 | | |
| 693 | Q | 40.1 | Very low | 44.2 | Very low | 160 Ų | 160 | 151.4 Ų | 151.4 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | | | trans | 91.2 | 121.9 | 135.2 | -76.9 | 177.9 | -5.1 | 0 | 0 | 122.6 | | |
| 694 | Y | 36 | Very low | 44.1 | Very low | 205 Ų | 205 | 142.9 Ų | 142.9 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | 67.9 | 82.7 | 146.9 | -79.5 | -90.3 | 0 | 0 | 0 | 122.7 | | |
| 695 | N | 40.6 | Very low | 44.9 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | | 38.1 | 131.5 | 108.5 | -87.4 | -1.1 | 0 | 0 | 0 | 122.7 | | |
| 696 | S | 39.7 | Very low | 44.2 | Very low | 112 Ų | 112 | 147.3 Ų | 147.3 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | | | trans | 87.4 | 95.8 | 131.5 | -61.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 697 | A | 42.1 | Very low | 43.7 | Very low | 102 Ų | 102 | 148.4 Ų | 148.4 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | trans | -160.8 | 151.4 | 132.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 698 | R | 45.1 | Very low | 43.8 | Very low | 231 Ų | 231 | 150.8 Ų | 150.8 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | | | cis | -167.1 | 112.1 | -35 | -161.1 | 179.5 | -165.3 | 174.4 | 3.7 | 109.4 | | |
| 699 | D | 54.2 | Low | 43.6 | Very low | 168 Ų | 168 | 151.3 Ų | 151.3 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | | | trans | -126.7 | 123.3 | 166.6 | -101.4 | -33.5 | 0 | 0 | 0 | 109.2 | | |
| 700 | P | 55.5 | Low | 43.6 | Very low | 91 Ų | 91 | 147.3 Ų | 147.3 | 59% | 0.591 | 80% | 0.795 | S | S | * | * | | | trans | -105.9 | 151.7 | -174.1 | 37.6 | -32.5 | 0 | 0 | 0 | 115.1 | | |
| 701 | N | 48.4 | Very low | 43.6 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | | | trans | 67.2 | 101.7 | 165.5 | -47.1 | -22.7 | 0 | 0 | 0 | 115.8 | | |
| 702 | A | 46.1 | Very low | 43.5 | Very low | 94 Ų | 94 | 143.3 Ų | 143.3 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | | | cis | 69 | 97.3 | 6 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 703 | M | 43.7 | Very low | 43.6 | Very low | 195 Ų | 195 | 141.1 Ų | 141.1 | 96% | 0.961 | 80% | 0.8 | S | S | * | * | | | trans | -167.3 | 138.2 | 142 | -100.9 | -160.2 | -68.6 | 0 | 0 | 110.3 | | |
| 704 | G | 41.8 | Very low | 43.9 | Very low | 56 Ų | 56 | 139.5 Ų | 139.5 | 58% | 0.577 | 80% | 0.801 | S | S | * | * | | | cis | 148.8 | 75.7 | -17.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 705 | Y | 52.6 | Low | 44.4 | Very low | 226 Ų | 226 | 137.4 Ų | 137.4 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | | | trans | -140.7 | 96.4 | 162.2 | -71.1 | -76.4 | 0 | 0 | 0 | 109.8 | | |
| 706 | K | 45.5 | Very low | 44.4 | Very low | 185 Ų | 185 | 141.6 Ų | 141.6 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | | 69.1 | 84.8 | 84.5 | -79.6 | -169 | 171 | 179.4 | 0 | 115.4 | | |
| 707 | T | 37.9 | Very low | 44.6 | Very low | 132 Ų | 132 | 141 Ų | 141 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | | | trans | -73.5 | 160.9 | 144 | 32.4 | 0 | 0 | 0 | 0 | 111 | | |
| 708 | F | 42.3 | Very low | 44.8 | Very low | 194 Ų | 194 | 141.6 Ų | 141.6 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | | | trans | -132.8 | 134.1 | 162.1 | -120.7 | -81.2 | 0 | 0 | 0 | 108.7 | | |
| 709 | T | 40.7 | Very low | 44.6 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | | | trans | -135.3 | 148.4 | 176.3 | 46.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 710 | G | 40.2 | Very low | 44 | Very low | 75 Ų | 75 | 139.2 Ų | 139.2 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | 157.6 | 135.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 711 | S | 43.5 | Very low | 43.4 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | cis | 171.2 | 142.2 | -27.4 | 168.4 | 0 | 0 | 0 | 0 | 104.5 | | |
| 712 | S | 39.3 | Very low | 43 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | 50.6 | 114.4 | 153.7 | 55.9 | 0 | 0 | 0 | 0 | 119.9 | | |
| 713 | G | 40.8 | Very low | 42.8 | Very low | 82 Ų | 82 | 141.8 Ų | 141.8 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | | | trans | -165.4 | 83.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 714 | T | 46.4 | Very low | 42.8 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | | | trans | -58.5 | 136.5 | -177.2 | 47.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 715 | N | 46.9 | Very low | 42.7 | Very low | 162 Ų | 162 | 140.3 Ų | 140.3 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | | | | 179.4 | 163 | 112.7 | -90.9 | -37.2 | 0 | 0 | 0 | 115.6 | | |
| 716 | R | 39.8 | Very low | 42.6 | Very low | 231 Ų | 231 | 134.5 Ų | 134.5 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | | | trans | -109.1 | -175.4 | 175.7 | -116.6 | -176.4 | 178.2 | -175.7 | -0.2 | 108.4 | | |
| 717 | P | 44.6 | Very low | 42.6 | Very low | 100 Ų | 100 | 135.5 Ų | 135.5 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | | | cis | -142.4 | 165.2 | 9.5 | 43.1 | -23.5 | 0 | 0 | 0 | 119.1 | | |
| 718 | T | 45 | Very low | 42.7 | Very low | 114 Ų | 114 | 135.9 Ų | 135.9 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | | | trans | 55.8 | 128.4 | 137.3 | 58.2 | 0 | 0 | 0 | 0 | 126.7 | | |
| 719 | H | 42.3 | Very low | 43.4 | Very low | 152 Ų | 152 | 132 Ų | 132 | 70% | 0.704 | 77% | 0.774 | S | S | * | * | | | | 105.6 | 150.7 | 124.5 | -106.7 | -96.9 | 0 | 0 | 0 | 123.6 | | |
| 720 | Y | 41.8 | Very low | 43.5 | Very low | 198 Ų | 198 | 133.3 Ų | 133.3 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | trans | 70.5 | 148.7 | 176.7 | -57.3 | -83.3 | 0 | 0 | 0 | 117.9 | | |
| 721 | Q | 41.8 | Very low | 43.7 | Very low | 152 Ų | 152 | 134 Ų | 134 | 71% | 0.71 | 77% | 0.772 | S | S | * | * | | | cis | -167.5 | 174.1 | -43.2 | -132.6 | 179.3 | -8.5 | 0 | 0 | 109.9 | | |
| 722 | T | 40.5 | Very low | 43.7 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 68% | 0.681 | 77% | 0.772 | S | S | * | * | | | trans | 65.7 | 99.2 | 155.9 | 36.2 | 0 | 0 | 0 | 0 | 122.3 | | |
| 723 | T | 40.6 | Very low | 44.1 | Very low | 129 Ų | 129 | 139 Ų | 139 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | | | | 53.5 | 117.5 | 121.7 | 57.6 | 0 | 0 | 0 | 0 | 122.7 | | |
| 724 | S | 44.1 | Very low | 44.4 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 88% | 0.881 | 78% | 0.778 | S | S | * | * | | | | -171.9 | 169.2 | 105.2 | 52.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 725 | A | 39.5 | Very low | 44.9 | Very low | 95 Ų | 95 | 143.8 Ų | 143.8 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | trans | -148.7 | -176.3 | -180 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 726 | P | 50.7 | Low | 45.2 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | | | cis | -130.9 | -173.3 | -5 | 43 | -27 | 0 | 0 | 0 | 113.5 | | |
| 727 | F | 45.3 | Very low | 45.4 | Very low | 205 Ų | 205 | 136.4 Ų | 136.4 | 90% | 0.899 | 78% | 0.778 | S | S | * | * | | | | 172.7 | 157.4 | 125.8 | -105.9 | -77.6 | 0 | 0 | 0 | 111.7 | | |
| 728 | N | 40.2 | Very low | 46.2 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | | | trans | -160 | 144.3 | -179 | -177.3 | 36.6 | 0 | 0 | 0 | 111.2 | | |
| 729 | P | 56.9 | Low | 46.5 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | trans | -125.4 | 146.8 | 165.3 | 37.1 | -24.1 | 0 | 0 | 0 | 116.2 | | |
| 730 | L | 44.3 | Very low | 46.8 | Very low | 164 Ų | 164 | 138.3 Ų | 138.3 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | | | trans | -50.1 | 170.6 | 158.7 | -86.9 | 65.9 | 0 | 0 | 0 | 113.3 | | |
| 731 | A | 43.3 | Very low | 46.9 | Very low | 88 Ų | 88 | 132.2 Ų | 132.2 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | cis | -179.4 | -174.5 | -11.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 732 | A | 43.2 | Very low | 47.2 | Very low | 88 Ų | 88 | 133.2 Ų | 133.2 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | | -172.1 | 156 | -52.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 733 | Y | 47.9 | Very low | 47.5 | Very low | 239 Ų | 239 | 133.4 Ų | 133.4 | 94% | 0.937 | 81% | 0.805 | S | S | * | * | | | trans | -152.1 | 137.6 | 174.3 | -112 | -81.4 | 0 | 0 | 0 | 112.2 | | |
| 734 | Q | 47.1 | Very low | 48 | Very low | 180 Ų | 180 | 132.6 Ų | 132.6 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | | | trans | -145.9 | 137.5 | 170.6 | -120.2 | -172.7 | -3.4 | 0 | 0 | 108.9 | | |
| 735 | P | 56.8 | Low | 48 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 136.8 | 173.9 | 33.3 | -32.1 | 0 | 0 | 0 | 111.7 | | |
| 736 | T | 52.7 | Low | 48.2 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 151.9 | -179.8 | -7.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 737 | A | 45.5 | Very low | 47.8 | Very low | 97 Ų | 97 | 139.3 Ų | 139.3 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 157.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 738 | I | 60.9 | Low | 47.7 | Very low | 157 Ų | 157 | 136.7 Ų | 136.7 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | | | trans | -118.4 | 134.9 | 177.1 | -61.1 | 177.2 | 0 | 0 | 0 | 108.7 | | |
| 739 | P | 52 | Low | 47.7 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | | | trans | -79.5 | 160 | -179.3 | 32.8 | -36 | 0 | 0 | 0 | 113.3 | | |
| 740 | P | 47.3 | Very low | 46.9 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | | | trans | -92.2 | 151.3 | -173 | 35.8 | -35.5 | 0 | 0 | 0 | 114.6 | | |
| 741 | G | 44.8 | Very low | 46.7 | Very low | 71 Ų | 71 | 141 Ų | 141 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | | | trans | 133 | 101.5 | 155.3 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 742 | L | 47.1 | Very low | 46.7 | Very low | 172 Ų | 172 | 146 Ų | 146 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | | | trans | 168.2 | 116.3 | 143.2 | -95 | 163.1 | 0 | 0 | 0 | 111.1 | | |
| 743 | P | 46.9 | Very low | 46.5 | Very low | 116 Ų | 116 | 148.3 Ų | 148.3 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | | | trans | -107.3 | -173.4 | 165.6 | 41.4 | -33.3 | 0 | 0 | 0 | 110.9 | | |
| 744 | P | 51.9 | Low | 46.5 | Very low | 112 Ų | 112 | 144.9 Ų | 144.9 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | cis | -121.6 | 179.3 | -29.4 | 38.7 | -25.9 | 0 | 0 | 0 | 111.9 | | |
| 745 | Y | 43.6 | Very low | 46.1 | Very low | 229 Ų | 229 | 143.9 Ų | 143.9 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | | | | -162.8 | 163.6 | 129.5 | -134.4 | -102.6 | 0 | 0 | 0 | 113.5 | | |
| 746 | M | 42.8 | Very low | 45.5 | Very low | 172 Ų | 172 | 142.1 Ų | 142.1 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | | | trans | -96.7 | 144.8 | -179.2 | -78.9 | -176.8 | 63.7 | 0 | 0 | 114.1 | | |
| 747 | G | 42.5 | Very low | 45.1 | Very low | 64 Ų | 64 | 143.7 Ų | 143.7 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | | | | 86.9 | 134.1 | 129 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 748 | L | 43 | Very low | 45 | Very low | 151 Ų | 151 | 142.3 Ų | 142.3 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | | 165.1 | 124.5 | 108.6 | -83.2 | 169.1 | 0 | 0 | 0 | 110 | | |
| 749 | Y | 41.8 | Very low | 44.2 | Very low | 206 Ų | 206 | 145.5 Ų | 145.5 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | | | trans | 56.3 | 150.9 | 148.5 | -73.8 | -110 | 0 | 0 | 0 | 120.6 | | |
| 750 | D | 38.6 | Very low | 44.1 | Very low | 132 Ų | 132 | 150 Ų | 150 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | | | cis | -171.1 | -174.2 | -25.2 | -163 | -1.9 | 0 | 0 | 0 | 107.6 | | |
| 751 | Q | 40.2 | Very low | 44.3 | Very low | 170 Ų | 170 | 148.9 Ų | 148.9 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | | | trans | 68.7 | 78.1 | 146.1 | -163.8 | 177.5 | 110.4 | 0 | 0 | 117.5 | | |
| 752 | M | 43.3 | Very low | 44.1 | Very low | 192 Ų | 192 | 149.3 Ų | 149.3 | 95% | 0.946 | 80% | 0.795 | S | S | * | * | | | trans | -130.4 | 141.4 | 143.2 | -88.1 | -162.8 | -78.4 | 0 | 0 | 111.4 | | |
| 753 | N | 39.7 | Very low | 44.4 | Very low | 138 Ų | 138 | 147 Ų | 147 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | | | trans | -107.2 | 124.6 | -164.9 | 177.8 | 3.8 | 0 | 0 | 0 | 110.7 | N755 | N753-N755 PolarHBondContact OD1-N 3.28Š|
| 754 | L | 47 | Very low | 44.2 | Very low | 166 Ų | 166 | 148.3 Ų | 148.3 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | | | trans | -127.9 | 44.7 | -176.1 | -84.9 | 168.3 | 0 | 0 | 0 | 113.7 | S756 | L754-S756 PolarHBondContact O-N 3.43Š|
| 755 | N | 40.3 | Very low | 44 | Very low | 159 Ų | 159 | 150 Ų | 150 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | | | trans | -82.4 | 75.1 | 164.7 | -88.2 | -17.6 | 0 | 0 | 0 | 111.9 | N753 | N753-N755 PolarHBondContact OD1-N 3.28Š|
| 756 | S | 44.5 | Very low | 44.1 | Very low | 92 Ų | 92 | 144.4 Ų | 144.4 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | | | trans | -168.7 | 146.4 | 159 | -161.5 | 0 | 0 | 0 | 0 | 113.1 | L754 | L754-S756 PolarHBondContact O-N 3.43Š|
| 757 | L | 43.7 | Very low | 44.1 | Very low | 174 Ų | 174 | 144.1 Ų | 144.1 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | | | trans | 65.3 | 133.9 | 171.4 | -58.3 | 138.8 | 0 | 0 | 0 | 115.9 | | |
| 758 | G | 43.4 | Very low | 44 | Very low | 67 Ų | 67 | 148.1 Ų | 148.1 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | | | cis | -163.4 | 158 | -3.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 759 | Y | 43.1 | Very low | 43.9 | Very low | 225 Ų | 225 | 147 Ų | 147 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | | | trans | -76.6 | 143.5 | -173.2 | -88.9 | -114.9 | 0 | 0 | 0 | 113.9 | | |
| 760 | F | 49.6 | Very low | 43.9 | Very low | 208 Ų | 208 | 141.9 Ų | 141.9 | 91% | 0.912 | 78% | 0.779 | S | S | * | * | | | trans | -132.5 | 127.5 | 152.8 | -89.2 | -82.2 | 0 | 0 | 0 | 109.3 | | |
| 761 | P | 52.1 | Low | 44.2 | Very low | 110 Ų | 110 | 144.4 Ų | 144.4 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | | | trans | -100.4 | 124.6 | -171.8 | 34.9 | -31.8 | 0 | 0 | 0 | 114.8 | | |
| 762 | A | 42 | Very low | 44.4 | Very low | 80 Ų | 80 | 141.2 Ų | 141.2 | 66% | 0.661 | 77% | 0.772 | S | S | * | * | | | trans | 54.5 | 157.3 | 147.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 763 | P | 53.1 | Low | 44.6 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | | | | -125.5 | 145.2 | 84.4 | 36.7 | -31.6 | 0 | 0 | 0 | 114.1 | | |
| 764 | N | 43.1 | Very low | 44.9 | Very low | 142 Ų | 142 | 139.3 Ų | 139.3 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | trans | -78.6 | 119.8 | 173.5 | -75.4 | -36.9 | 0 | 0 | 0 | 111 | V766 | N764-V766 HydrophobicContact CB-CG2 4.32Š|
| 765 | L | 46.6 | Very low | 44.6 | Very low | 148 Ų | 148 | 136 Ų | 136 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | | | trans | -97.3 | 86.3 | 164.2 | -76.8 | 172.4 | 0 | 0 | 0 | 110 | F767 | L765-F767 HydrophobicContact CB-CD2 4.5Å; L765-F767 HydrophobicContact CB-CE2 4.47Å; L765-F767 HydrophobicContact CD2-CE2 4.43Å; L765-F767 PolarHBondContact O-N 3.44Å |
| 766 | V | 46.2 | Very low | 44.6 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 67% | 0.673 | 76% | 0.758 | S | S | * | * | | | trans | -82.4 | 96.9 | 174.2 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | N764 N768 | N764-V766 HydrophobicContact CB-CG2 4.32Å; V766-N768 HydrophobicContact CG1-CB 4.28Å; V766-N768 PolarHBondContact O-N 2.76Å |
| 767 | F | 43.1 | Very low | 44.6 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | | | trans | -88.9 | 76.1 | 167.8 | -82.8 | -77.5 | 0 | 0 | 0 | 111.2 | L765 N769 | L765-F767 HydrophobicContact CB-CD2 4.5Å; L765-F767 HydrophobicContact CB-CE2 4.47Å; L765-F767 HydrophobicContact CD2-CE2 4.43Å; L765-F767 PolarHBondContact O-N 3.44Å; F767-N769 PolarHBondContact O-N 2.85Å; F767-N769 VanDerWaalsContact O-N 3.1Å |
| 768 | N | 40.4 | Very low | 44.7 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | | | trans | -78 | 84.4 | 167.4 | -98.8 | -6.4 | 0 | 0 | 0 | 110.2 | V766 | V766-N768 HydrophobicContact CG1-CB 4.28Å; V766-N768 PolarHBondContact O-N 2.76Å |
| 769 | N | 40.1 | Very low | 44.9 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | | | trans | -113.3 | 73.4 | 168.3 | -86.2 | -13.3 | 0 | 0 | 0 | 110.3 | F767 F771 | F767-N769 PolarHBondContact O-N 2.85Å; F767-N769 VanDerWaalsContact O-N 3.1Å; N769-F771 PolarHBondContact O-N 2.73Å |
| 770 | A | 41.5 | Very low | 45.1 | Very low | 100 Ų | 100 | 135.7 Ų | 135.7 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | | | trans | -77 | 101.9 | 165 | 0 | 0 | 0 | 0 | 0 | 109 | D772 | A770-D772 PolarHBondContact O-N 3.49Å; A770-D772 VanDerWaalsContact O-N 3.13Å |
| 771 | F | 45.2 | Very low | 44.7 | Very low | 185 Ų | 185 | 132.3 Ų | 132.3 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | | | trans | -74.2 | 95.8 | 165.3 | -88.8 | -87.4 | 0 | 0 | 0 | 108.9 | N769 | N769-F771 PolarHBondContact O-N 2.73Š|
| 772 | D | 43.7 | Very low | 44.2 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 55% | 0.545 | 75% | 0.751 | S | S | . | * | | | trans | -72.2 | 125.9 | 164 | 175.7 | 27.9 | 0 | 0 | 0 | 109.5 | A770 N774 S775 | A770-D772 PolarHBondContact O-N 3.49Å; A770-D772 VanDerWaalsContact O-N 3.13Å; D772-N774 PolarHBondContact OD1-N 3.21Å; D772-S775 PolarHBondContact OD2-OG 3.38Å |
| 773 | I | 48.1 | Very low | 44.3 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -97 | -7.5 | -175.5 | -61.2 | 176.7 | 0 | 0 | 0 | 111.1 | | |
| 774 | N | 46.8 | Very low | 43.7 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -94.6 | 4.4 | -172.4 | -69.3 | -59 | 0 | 0 | 0 | 115.7 | D772 | D772-N774 PolarHBondContact OD1-N 3.21Š|
| 775 | S | 39.2 | Very low | 43.5 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | | | trans | -108.9 | 50 | -171.3 | -68.1 | 0 | 0 | 0 | 0 | 114.5 | D772 | D772-S775 PolarHBondContact OD2-OG 3.38Š|
| 776 | L | 41 | Very low | 43.1 | Very low | 174 Ų | 174 | 132.9 Ų | 132.9 | 91% | 0.911 | 77% | 0.771 | S | S | * | * | | | trans | -139.4 | 50 | 175.3 | -153.4 | 79.2 | 0 | 0 | 0 | 114.2 | | |
| 777 | S | 43.8 | Very low | 42.8 | Very low | 92 Ų | 92 | 133.6 Ų | 133.6 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | | | trans | -144.1 | 50.9 | -174.3 | 55.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 778 | Q | 45.8 | Very low | 42.7 | Very low | 178 Ų | 178 | 133.2 Ų | 133.2 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | -161.3 | 160.4 | 167.9 | -110.7 | 140.9 | 104.2 | 0 | 0 | 113.4 | | |
| 779 | L | 47.7 | Very low | 42.7 | Very low | 163 Ų | 163 | 132.6 Ų | 132.6 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | | | trans | 74.1 | 145.8 | -176.8 | -49.7 | 176.4 | 0 | 0 | 0 | 115 | | |
| 780 | P | 46.8 | Very low | 42.7 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | | | | -129.4 | 151.8 | -69 | 31.2 | -14.9 | 0 | 0 | 0 | 114 | S782 | P780-S782 PolarHBondContact O-N 2.84Š|
| 781 | P | 42.1 | Very low | 42.9 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | | | trans | -86.4 | 96.1 | -176.5 | 33.6 | -33.9 | 0 | 0 | 0 | 113.1 | | |
| 782 | S | 42.6 | Very low | 42.9 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | | | trans | -155.8 | 96.8 | 170.1 | 62.7 | 0 | 0 | 0 | 0 | 115.2 | P780 | P780-S782 PolarHBondContact O-N 2.84Š|
| 783 | M | 43 | Very low | 42.8 | Very low | 196 Ų | 196 | 136.1 Ų | 136.1 | 97% | 0.966 | 81% | 0.808 | S | S | * | * | | | trans | -163.5 | 119.9 | 145.7 | -104.5 | -69.6 | 158.1 | 0 | 0 | 107.5 | | |
| 784 | A | 39.8 | Very low | 43.2 | Very low | 97 Ų | 97 | 138.1 Ų | 138.1 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | | | trans | -93.8 | 162.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 785 | A | 40.1 | Very low | 43.1 | Very low | 96 Ų | 96 | 135.5 Ų | 135.5 | 79% | 0.793 | 82% | 0.822 | S | S | * | * | | | trans | -60 | 139 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 786 | S | 37.1 | Very low | 43.7 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 88% | 0.881 | 83% | 0.829 | S | S | * | * | | | trans | -179 | 109.4 | 132.7 | -81.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 787 | S | 40 | Very low | 44.1 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 88% | 0.881 | 82% | 0.823 | S | S | * | * | | | trans | -154.7 | 140.9 | 146.5 | 56.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 788 | L | 41 | Very low | 44.3 | Very low | 160 Ų | 160 | 142 Ų | 142 | 84% | 0.838 | 84% | 0.839 | S | S | * | * | | | trans | -140.3 | 149.8 | -176.4 | -104 | 170.6 | 0 | 0 | 0 | 109 | | |
| 789 | T | 41.4 | Very low | 44.3 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 82% | 0.816 | 84% | 0.838 | S | S | * | * | | | trans | 67.7 | 145.6 | 160.9 | 58.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 790 | S | 39.8 | Very low | 44.1 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 92% | 0.916 | 83% | 0.834 | S | S | * | * | | | trans | 90.3 | 122.2 | 156.8 | -151.8 | 0 | 0 | 0 | 0 | 118.5 | | |
| 791 | G | 46 | Very low | 44 | Very low | 75 Ų | 75 | 139.8 Ų | 139.8 | 77% | 0.773 | 84% | 0.841 | S | S | * | * | | | trans | 170.5 | 63.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 792 | R | 45.2 | Very low | 43.9 | Very low | 217 Ų | 217 | 142.4 Ų | 142.4 | 82% | 0.819 | 84% | 0.844 | S | S | * | * | | | trans | -3.4 | 126.4 | 164.7 | -74.4 | -173.3 | 158 | 153 | -3.5 | 119.5 | | |
| 793 | E | 42.3 | Very low | 44.1 | Very low | 165 Ų | 165 | 141.2 Ų | 141.2 | 77% | 0.771 | 85% | 0.847 | S | S | * | * | | | | 81.5 | 91.6 | 67.3 | -74.1 | -177.4 | 140.7 | 0 | 0 | 115.8 | | |
| 794 | M | 54.9 | Low | 44 | Very low | 197 Ų | 197 | 143.3 Ų | 143.3 | 97% | 0.97 | 84% | 0.844 | S | S | * | * | | | trans | -149.1 | 141.3 | 146.3 | -73.5 | -72.4 | -94.9 | 0 | 0 | 105.3 | | |
| 795 | G | 44.8 | Very low | 44.6 | Very low | 82 Ų | 82 | 146.7 Ų | 146.7 | 85% | 0.845 | 85% | 0.847 | S | S | * | * | | | cis | 152.8 | 76.1 | -1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 796 | G | 52.8 | Low | 44.5 | Very low | 79 Ų | 79 | 148.9 Ų | 148.9 | 81% | 0.814 | 85% | 0.845 | S | S | * | * | | | trans | -174.3 | 122.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 797 | E | 48.2 | Very low | 44.8 | Very low | 169 Ų | 169 | 147.5 Ų | 147.5 | 79% | 0.79 | 84% | 0.835 | S | S | * | * | | | trans | -111.1 | 134.8 | -175 | -56 | -173.9 | 115.6 | 0 | 0 | 112.1 | | |
| 798 | Y | 49.5 | Very low | 44.9 | Very low | 248 Ų | 248 | 148.2 Ų | 148.2 | 97% | 0.973 | 83% | 0.829 | S | S | * | * | | | trans | -147.6 | 143.9 | 146.4 | -88.8 | -71.2 | 0 | 0 | 0 | 109.1 | | |
| 799 | K | 46 | Very low | 44.9 | Very low | 190 Ų | 190 | 147.7 Ų | 147.7 | 83% | 0.826 | 83% | 0.827 | S | S | * | * | | | trans | -153.8 | 151.6 | -156.9 | -164.6 | 176.2 | -172.5 | 173.3 | 0 | 111.9 | | |
| 800 | A | 43.7 | Very low | 44.9 | Very low | 92 Ų | 92 | 150 Ų | 150 | 76% | 0.76 | 83% | 0.834 | S | S | * | * | | | trans | 70.6 | 147.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 801 | S | 44.3 | Very low | 45 | Very low | 117 Ų | 117 | 148.7 Ų | 148.7 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | | | cis | -158.9 | 172.8 | -11.6 | 40.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 802 | M | 39.4 | Very low | 44.9 | Very low | 194 Ų | 194 | 148.4 Ų | 148.4 | 96% | 0.956 | 83% | 0.828 | S | S | * | * | | | trans | -51.7 | 147.8 | 176.2 | -56.4 | 176.8 | -174.5 | 0 | 0 | 114.1 | | |
| 803 | G | 47.2 | Very low | 44.6 | Very low | 75 Ų | 75 | 146.6 Ų | 146.6 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | | | trans | -137.4 | 106.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 804 | R | 41.7 | Very low | 44.6 | Very low | 241 Ų | 241 | 144.1 Ų | 144.1 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | | | trans | -87.4 | 134.4 | 159.3 | -99.9 | -175.1 | 171.8 | -178.7 | -3.9 | 107.4 | | |
| 805 | I | 52 | Low | 43.9 | Very low | 167 Ų | 167 | 142.2 Ų | 142.2 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | | | trans | -106.6 | 119 | 172.6 | -60.1 | 176.6 | 0 | 0 | 0 | 108 | | |
| 806 | D | 37.8 | Very low | 43.8 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 77% | 0.765 | 83% | 0.827 | S | S | * | * | | | trans | -153.6 | 157.9 | 169.3 | -107.2 | -44 | 0 | 0 | 0 | 108.3 | | |
| 807 | S | 42.3 | Very low | 43.1 | Very low | 96 Ų | 96 | 146.1 Ų | 146.1 | 67% | 0.671 | 82% | 0.821 | S | S | * | * | | | trans | 77.5 | 108.2 | 166.4 | 76 | 0 | 0 | 0 | 0 | 120.4 | | |
| 808 | N | 43.3 | Very low | 42.8 | Very low | 141 Ų | 141 | 146 Ų | 146 | 75% | 0.754 | 83% | 0.825 | S | S | * | * | | | | 100.9 | 144 | 119.7 | -66.9 | -3.4 | 0 | 0 | 0 | 123.2 | | |
| 809 | N | 40 | Very low | 42.3 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | | | trans | 79.5 | 99.4 | 155.2 | -59.6 | -21.9 | 0 | 0 | 0 | 120.2 | | |
| 810 | L | 42.1 | Very low | 42.2 | Very low | 183 Ų | 183 | 133.5 Ų | 133.5 | 96% | 0.958 | 81% | 0.808 | S | S | * | * | | | | -148.8 | 163.3 | 103.9 | -149.2 | 63 | 0 | 0 | 0 | 110.8 | | |
| 811 | A | 41.5 | Very low | 42.3 | Very low | 102 Ų | 102 | 135.7 Ų | 135.7 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | | | trans | -135.5 | 157.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 812 | G | 43.7 | Very low | 42.7 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | | | trans | 141.4 | 91.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 813 | M | 40.2 | Very low | 42.9 | Very low | 180 Ų | 180 | 132.1 Ų | 132.1 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | | | | 87 | 133.6 | 65.4 | -76.2 | -169.1 | 68.1 | 0 | 0 | 115.2 | | |
| 814 | S | 41.9 | Very low | 42.7 | Very low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | | | trans | 79.9 | 139.6 | 163 | 75.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 815 | N | 39.6 | Very low | 42.8 | Very low | 157 Ų | 157 | 125.2 Ų | 125.2 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | | | trans | -110.6 | 145.4 | 172.6 | -38.9 | -78.9 | 0 | 0 | 0 | 108.9 | | |
| 816 | V | 42.4 | Very low | 42.5 | Very low | 146 Ų | 146 | 126.9 Ų | 126.9 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | | | trans | -138.6 | 154 | 156.7 | -175.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 817 | S | 38.6 | Very low | 42.4 | Very low | 98 Ų | 98 | 123.6 Ų | 123.6 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | | | trans | -125.5 | 175.5 | -172.8 | -53.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 818 | L | 40.9 | Very low | 42.5 | Very low | 167 Ų | 167 | 125 Ų | 125 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | trans | 94.1 | 139 | 149.2 | -116.4 | 74.8 | 0 | 0 | 0 | 120.7 | | |
| 819 | A | 40.7 | Very low | 43.1 | Very low | 93 Ų | 93 | 123.4 Ų | 123.4 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | trans | 77.1 | 151.1 | 147.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 820 | A | 43.2 | Very low | 43.3 | Very low | 81 Ų | 81 | 125.5 Ų | 125.5 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | | | cis | -174.9 | -166 | -24 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 821 | V | 45.2 | Very low | 43.3 | Very low | 139 Ų | 139 | 120.7 Ų | 120.7 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | | | trans | 76.7 | 148.1 | 156.4 | -86 | 0 | 0 | 0 | 0 | 119.8 | | |
| 822 | P | 52.6 | Low | 43.4 | Very low | 101 Ų | 101 | 120.7 Ų | 120.7 | 66% | 0.656 | 78% | 0.784 | S | S | * | * | | | | -150.8 | -152.4 | -119.6 | 43.8 | -19.6 | 0 | 0 | 0 | 117.3 | | |
| 823 | T | 43.3 | Very low | 43.3 | Very low | 135 Ų | 135 | 121.6 Ų | 121.6 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | | | trans | 73.2 | 148 | 155.8 | 38.6 | 0 | 0 | 0 | 0 | 119.1 | | |
| 824 | A | 43.2 | Very low | 43.4 | Very low | 92 Ų | 92 | 123 Ų | 123 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | | | cis | -163.3 | -164 | -12.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 825 | A | 43.5 | Very low | 43.5 | Very low | 79 Ų | 79 | 122.1 Ų | 122.1 | 65% | 0.653 | 79% | 0.786 | S | S | * | * | | | cis | -162.7 | 162.2 | 1.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 826 | Q | 46 | Very low | 43.5 | Very low | 202 Ų | 202 | 117.9 Ų | 117.9 | 94% | 0.944 | 78% | 0.78 | S | S | * | * | | | trans | 62.1 | 157.1 | 161.1 | -58.8 | 170.2 | 4.8 | 0 | 0 | 117.6 | | |
| 827 | G | 37.4 | Very low | 43.5 | Very low | 73 Ų | 73 | 115.9 Ų | 115.9 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | | | cis | 179 | 134.4 | -9.3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 828 | P | 44.3 | Very low | 43.5 | Very low | 125 Ų | 125 | 118.2 Ų | 118.2 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | trans | -120.3 | -163 | -177 | 42.7 | -32 | 0 | 0 | 0 | 113.6 | | |
| 829 | P | 54.4 | Low | 43.5 | Very low | 108 Ų | 108 | 113.8 Ų | 113.8 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | cis | -127.2 | -178.9 | -48.3 | 35.6 | -18.5 | 0 | 0 | 0 | 112.9 | | |
| 830 | H | 44.8 | Very low | 43.5 | Very low | 194 Ų | 194 | 115.7 Ų | 115.7 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | | | trans | 171.9 | 165 | 153.6 | -89.4 | -62.6 | 0 | 0 | 0 | 109.4 | | |
| 831 | A | 41.5 | Very low | 43.3 | Very low | 81 Ų | 81 | 116.5 Ų | 116.5 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | | | cis | -170.4 | 150.4 | -35.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 832 | A | 43.3 | Very low | 43 | Very low | 103 Ų | 103 | 117 Ų | 117 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | | | trans | 60.1 | 177.5 | 162.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 833 | A | 41.6 | Very low | 42.4 | Very low | 88 Ų | 88 | 116.7 Ų | 116.7 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | | -169.9 | 140.7 | -56.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 834 | F | 43.3 | Very low | 42.3 | Very low | 209 Ų | 209 | 115 Ų | 115 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | | | trans | 167.7 | 135.7 | 156.4 | -112.9 | -93.1 | 0 | 0 | 0 | 106.5 | | |
| 835 | A | 43.3 | Very low | 42.1 | Very low | 94 Ų | 94 | 114.9 Ų | 114.9 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | | | cis | 105.9 | 113.3 | 13.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 836 | G | 41 | Very low | 42 | Very low | 68 Ų | 68 | 119.2 Ų | 119.2 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | trans | 147.1 | 85.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 837 | S | 40.9 | Very low | 41.7 | Very low | 104 Ų | 104 | 117.6 Ų | 117.6 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | | 75.2 | 85.4 | 87.4 | 69.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 838 | T | 39.7 | Very low | 41.8 | Very low | 146 Ų | 146 | 118.8 Ų | 118.8 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | | | | 70.3 | 120.3 | 93.4 | 57.4 | 0 | 0 | 0 | 0 | 116.8 | | |
| 839 | G | 40 | Very low | 41.5 | Very low | 74 Ų | 74 | 117.5 Ų | 117.5 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | | | trans | -175.1 | 131.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 840 | T | 40.2 | Very low | 40.7 | Very low | 133 Ų | 133 | 116.8 Ų | 116.8 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | | | trans | -139.3 | 150.3 | -171.6 | 53 | 0 | 0 | 0 | 0 | 114.3 | | |
| 841 | S | 39.6 | Very low | 40.6 | Very low | 98 Ų | 98 | 115.4 Ų | 115.4 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | | | trans | 79.9 | 142.8 | 145.3 | 71.2 | 0 | 0 | 0 | 0 | 121.4 | | |
| 842 | N | 39.8 | Very low | 40.8 | Very low | 149 Ų | 149 | 120.3 Ų | 120.3 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | | | trans | 94.5 | 91.9 | 152.4 | -60.5 | -15.7 | 0 | 0 | 0 | 121.2 | | |
| 843 | A | 40 | Very low | 40.9 | Very low | 96 Ų | 96 | 118.7 Ų | 118.7 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | | | | 80.2 | 126.2 | 110 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 844 | A | 40 | Very low | 41.1 | Very low | 98 Ų | 98 | 123.5 Ų | 123.5 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | | | trans | 83.6 | 114 | 136.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 845 | A | 40.1 | Very low | 41.1 | Very low | 91 Ų | 91 | 117.3 Ų | 117.3 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | | | trans | 87 | 123.4 | 131.9 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 846 | Q | 40.2 | Very low | 41.4 | Very low | 169 Ų | 169 | 118.5 Ų | 118.5 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | trans | 75.4 | 115.1 | 141.7 | -71.7 | 175.7 | -50.6 | 0 | 0 | 122.8 | | |
| 847 | Q | 40.8 | Very low | 41.4 | Very low | 169 Ų | 169 | 124.2 Ų | 124.2 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | | | trans | 63.8 | 93.5 | 132.1 | -67.7 | -179.7 | -44.6 | 0 | 0 | 121.3 | | |
| 848 | A | 39.1 | Very low | 42.1 | Very low | 97 Ų | 97 | 125.2 Ų | 125.2 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | | | | 60.8 | 124.1 | 108.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 849 | A | 37.9 | Very low | 42.8 | Very low | 99 Ų | 99 | 122.7 Ų | 122.7 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | 110 | 144.9 | 131.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 850 | A | 38.3 | Very low | 42.9 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | | | trans | 63.9 | 123.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 851 | L | 41.2 | Very low | 43 | Very low | 165 Ų | 165 | 126.8 Ų | 126.8 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | | | | -173.6 | 149.1 | 105 | -103.8 | 162.2 | 0 | 0 | 0 | 114.4 | | |
| 852 | M | 47.2 | Very low | 42.8 | Very low | 185 Ų | 185 | 128.7 Ų | 128.7 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | | | trans | 69.7 | 134.6 | 168.6 | -45.8 | -154.5 | -66.8 | 0 | 0 | 118.7 | | |
| 853 | G | 44.4 | Very low | 42.7 | Very low | 69 Ų | 69 | 130.5 Ų | 130.5 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | | | cis | 164.4 | 168 | -13.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 854 | L | 46.6 | Very low | 42.6 | Very low | 189 Ų | 189 | 131.5 Ų | 131.5 | 99% | 0.99 | 80% | 0.801 | S | S | * | * | | | trans | 77.7 | 131 | 159.3 | -52 | 175.4 | 0 | 0 | 0 | 121.2 | | |
| 855 | G | 43.3 | Very low | 42.6 | Very low | 78 Ų | 78 | 136 Ų | 136 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | 125.4 | 111.2 | 147.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 856 | P | 50.1 | Low | 42.5 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | trans | -123.8 | 157.7 | -178.3 | 40.9 | -29.5 | 0 | 0 | 0 | 117.5 | | |
| 857 | F | 41 | Very low | 42.9 | Very low | 189 Ų | 189 | 140 Ų | 140 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | | | trans | 28.9 | 140 | 144.8 | -82 | -75.9 | 0 | 0 | 0 | 122.6 | | |
| 858 | P | 53.9 | Low | 42.8 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | | | | -145.4 | 165.6 | 84.8 | 40.5 | -25.7 | 0 | 0 | 0 | 117 | | |
| 859 | P | 54.6 | Low | 43.5 | Very low | 93 Ų | 93 | 140.5 Ų | 140.5 | 60% | 0.604 | 81% | 0.808 | S | S | * | * | | | trans | -101.7 | 161.8 | 170 | 39 | -33.2 | 0 | 0 | 0 | 113.6 | | |
| 860 | F | 42.8 | Very low | 43.6 | Very low | 196 Ų | 196 | 147.1 Ų | 147.1 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | | | | 173.4 | 148.2 | 128.3 | -101.1 | -65.9 | 0 | 0 | 0 | 115.2 | | |
| 861 | S | 41.4 | Very low | 43.8 | Very low | 97 Ų | 97 | 147.3 Ų | 147.3 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | | | trans | 63 | 105.4 | 146 | -61 | 0 | 0 | 0 | 0 | 123.7 | | |
| 862 | V | 35.9 | Very low | 44 | Very low | 139 Ų | 139 | 149 Ų | 149 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | | | | 40.4 | 114.9 | 117.2 | -176.8 | 0 | 0 | 0 | 0 | 119.4 | | |
| 863 | M | 38.7 | Very low | 44.2 | Very low | 186 Ų | 186 | 145.6 Ų | 145.6 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | | | | -154.5 | 158.6 | 122.7 | -138.1 | 175.1 | 177.7 | 0 | 0 | 112.7 | | |
| 864 | T | 37.4 | Very low | 44.5 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 72% | 0.718 | 81% | 0.81 | S | S | * | * | | | trans | -99.3 | 152.1 | -174.4 | 44.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 865 | Q | 40.3 | Very low | 44.5 | Very low | 194 Ų | 194 | 149.1 Ų | 149.1 | 91% | 0.907 | 81% | 0.808 | S | S | * | * | | | | -168 | 153.2 | 124.7 | -106.7 | 174.3 | 29 | 0 | 0 | 112.6 | | |
| 866 | L | 37.8 | Very low | 44.6 | Very low | 143 Ų | 143 | 151.4 Ų | 151.4 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | | | trans | -103.1 | 150.5 | 177.5 | -65.8 | 110.3 | 0 | 0 | 0 | 111.4 | | |
| 867 | Q | 47.5 | Very low | 44 | Very low | 199 Ų | 199 | 151.2 Ų | 151.2 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | | | trans | -137 | 125.5 | 150 | -72.3 | -169.5 | -16.4 | 0 | 0 | 110.3 | | |
| 868 | H | 39.4 | Very low | 44 | Very low | 158 Ų | 158 | 150.4 Ų | 150.4 | 73% | 0.731 | 81% | 0.811 | S | S | * | * | | | trans | -87.7 | 173.8 | 164.5 | -65.7 | -92 | 0 | 0 | 0 | 109.5 | | |
| 869 | P | 53.4 | Low | 43.3 | Very low | 119 Ų | 119 | 152 Ų | 152 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | | -145.6 | 133.6 | 91 | 35.3 | -18.9 | 0 | 0 | 0 | 115.4 | | |
| 870 | Y | 40.2 | Very low | 42.5 | Very low | 238 Ų | 238 | 154.9 Ų | 154.9 | 93% | 0.933 | 82% | 0.815 | S | S | * | * | | | trans | -136.6 | 125 | 144.8 | -94.1 | -76.7 | 0 | 0 | 0 | 107.3 | | |
| 871 | A | 43 | Very low | 42.5 | Very low | 96 Ų | 96 | 150.9 Ų | 150.9 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | | | trans | -122.8 | 124.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 872 | F | 44.3 | Very low | 42.2 | Very low | 201 Ų | 201 | 151.9 Ų | 151.9 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | | | trans | -74.5 | 163.8 | 162 | -82.2 | -95.3 | 0 | 0 | 0 | 110.4 | | |
| 873 | P | 53.4 | Low | 42.5 | Very low | 114 Ų | 114 | 154.1 Ų | 154.1 | 74% | 0.74 | 82% | 0.819 | S | S | * | * | | | | -124.3 | 154.9 | 121.6 | 35.3 | -31.4 | 0 | 0 | 0 | 112.8 | | |
| 874 | P | 49.8 | Very low | 42.5 | Very low | 115 Ų | 115 | 149 Ų | 149 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 167.6 | -174.2 | 35.7 | -36.9 | 0 | 0 | 0 | 113.9 | | |
| 875 | F | 46.4 | Very low | 42.4 | Very low | 216 Ų | 216 | 150.7 Ų | 150.7 | 95% | 0.947 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 137.8 | 169.1 | -94.8 | -98.8 | 0 | 0 | 0 | 111.8 | | |
| 876 | V | 46.2 | Very low | 42.4 | Very low | 127 Ų | 127 | 148.5 Ų | 148.5 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 126.6 | -180 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | L878 | V876-L878 PolarHBondContact O-N 2.91Š|
| 877 | S | 37.1 | Very low | 42.2 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 125.2 | 168.9 | -51.8 | 0 | 0 | 0 | 0 | 111 | | |
| 878 | L | 41 | Very low | 41.8 | Very low | 172 Ų | 172 | 141.5 Ų | 141.5 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | | | trans | -121.4 | 133.1 | 162.9 | -87.1 | 169.5 | 0 | 0 | 0 | 110 | V876 | V876-L878 PolarHBondContact O-N 2.91Š|
| 879 | Q | 39.2 | Very low | 41.6 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 74% | 0.738 | 81% | 0.812 | S | S | * | * | | | trans | -126 | 165.4 | -170.6 | -179 | -179.6 | -25.1 | 0 | 0 | 108.8 | | |
| 880 | M | 38.3 | Very low | 40.8 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | | | trans | 82.5 | 154.5 | 173.8 | -50.2 | -61.2 | -168.1 | 0 | 0 | 115.5 | | |
| 881 | P | 42.8 | Very low | 40.9 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | | | cis | -126.4 | 168.1 | -25 | 30 | -12.2 | 0 | 0 | 0 | 113 | | |
| 882 | S | 35.2 | Very low | 40.6 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -77.5 | 143.9 | 160 | 52.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 883 | M | 40.9 | Very low | 40.5 | Very low | 186 Ų | 186 | 132.9 Ų | 132.9 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | | | trans | -134.7 | 148.9 | 155.5 | -75.3 | -136.2 | 74.4 | 0 | 0 | 109 | | |
| 884 | A | 39.6 | Very low | 39.7 | Very low | 78 Ų | 78 | 133 Ų | 133 | 65% | 0.645 | 81% | 0.814 | S | S | * | * | | | trans | -116.1 | 167 | -170 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 885 | N | 35.6 | Very low | 39.4 | Very low | 153 Ų | 153 | 134.8 Ų | 134.8 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | | | trans | 57.1 | 115.5 | 156.7 | -58.9 | -15 | 0 | 0 | 0 | 118.6 | | |
| 886 | T | 38.7 | Very low | 39 | Very low | 148 Ų | 148 | 128.7 Ų | 128.7 | 91% | 0.908 | 81% | 0.811 | S | S | * | * | | | | -144.6 | 148.1 | 121.1 | -68.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 887 | A | 34.4 | Very low | 38.7 | Very low | 93 Ų | 93 | 128.6 Ų | 128.6 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | | | trans | -122.8 | -175.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 888 | A | 38.7 | Very low | 39 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | | | trans | 75.7 | 152 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 889 | S | 36.4 | Very low | 39.1 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | | | cis | -138 | 163.5 | 4.2 | -158.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 890 | T | 36.6 | Very low | 39.1 | Very low | 125 Ų | 125 | 127 Ų | 127 | 77% | 0.767 | 82% | 0.818 | S | S | * | * | | | trans | -85.8 | 145.7 | -177.8 | 45.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 891 | V | 42.1 | Very low | 39.2 | Very low | 148 Ų | 148 | 128 Ų | 128 | 90% | 0.897 | 83% | 0.826 | S | S | * | * | | | trans | -136.3 | 139.4 | 141.5 | -179.7 | 0 | 0 | 0 | 0 | 107 | | |
| 892 | A | 36.7 | Very low | 39.1 | Very low | 94 Ų | 94 | 127.3 Ų | 127.3 | 78% | 0.777 | 82% | 0.824 | S | S | * | * | | | trans | -133.7 | 141.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 893 | T | 42.3 | Very low | 39.6 | Very low | 147 Ų | 147 | 127.5 Ų | 127.5 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | | | trans | -142.2 | 134.9 | 166.4 | 35.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 894 | S | 36.2 | Very low | 39.5 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -111.3 | 146.3 | -169.6 | 48.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 895 | V | 42.1 | Very low | 39.6 | Very low | 153 Ų | 153 | 129 Ų | 129 | 93% | 0.927 | 82% | 0.821 | S | S | * | * | | | trans | -139.1 | 145.7 | 157.2 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 896 | A | 39.5 | Very low | 39.8 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 72% | 0.719 | 82% | 0.822 | S | S | * | * | | | trans | -72.9 | 159.4 | -164.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 897 | P | 38.3 | Very low | 39.9 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -81.8 | 170.2 | 174.1 | 35.5 | -37.3 | 0 | 0 | 0 | 113.5 | | |
| 898 | K | 44.1 | Very low | 40 | Very low | 204 Ų | 204 | 131.1 Ų | 131.1 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | | | trans | -123.6 | 146 | 165.8 | -98.7 | -178.7 | 174.2 | 177.4 | 0 | 111.1 | | |
| 899 | P | 42.8 | Very low | 40 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | | | trans | -87.5 | 162.1 | -170.9 | 35.8 | -36.6 | 0 | 0 | 0 | 113.7 | | |
| 900 | G | 39.9 | Very low | 40.1 | Very low | 80 Ų | 80 | 137.1 Ų | 137.1 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | trans | -102.6 | -172.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 901 | L | 41.1 | Very low | 40.1 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | | | trans | -132.4 | 156.9 | 175.2 | -103.1 | 163.5 | 0 | 0 | 0 | 111.2 | | |
| 902 | S | 40.3 | Very low | 39.8 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 69% | 0.685 | 80% | 0.804 | S | S | * | * | | | trans | -67.7 | 149.5 | -159.8 | 53.2 | 0 | 0 | 0 | 0 | 118.1 | | |
| 903 | P | 45 | Very low | 40.1 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | | | trans | -107.9 | 132.1 | 144.1 | 35 | -26.5 | 0 | 0 | 0 | 112.2 | | |
| 904 | F | 39.2 | Very low | 40 | Very low | 201 Ų | 201 | 138.5 Ų | 138.5 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | | | trans | -158.2 | 131 | 172.7 | -125.3 | -108.1 | 0 | 0 | 0 | 106.1 | | |
| 905 | S | 41.9 | Very low | 40.1 | Very low | 95 Ų | 95 | 140.1 Ų | 140.1 | 66% | 0.664 | 80% | 0.801 | S | S | * | * | | | cis | -146.8 | 159.1 | -4.5 | -95.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 906 | Q | 39.3 | Very low | 40 | Very low | 180 Ų | 180 | 139.6 Ų | 139.6 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | | | trans | -81.1 | 147.3 | 166.7 | -70 | 172.6 | -44.4 | 0 | 0 | 111.3 | | |
| 907 | A | 40.5 | Very low | 40 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | | | trans | -134.2 | 121.8 | 154.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 908 | M | 37.2 | Very low | 40 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 76% | 0.764 | 80% | 0.804 | S | S | * | * | | | trans | -102.9 | -178.8 | 171.4 | -77.7 | -172.4 | 168.4 | 0 | 0 | 109.9 | | |
| 909 | Y | 37.5 | Very low | 39.6 | Very low | 219 Ų | 219 | 139 Ų | 139 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | | | trans | 75.9 | 137.5 | -177 | -69.6 | -91.6 | 0 | 0 | 0 | 114.5 | | |
| 910 | N | 39.4 | Very low | 39.3 | Very low | 126 Ų | 126 | 138 Ų | 138 | 67% | 0.674 | 80% | 0.797 | S | S | * | * | | | cis | -151.9 | 140.5 | -7.1 | -158.1 | 40.8 | 0 | 0 | 0 | 109.9 | | |
| 911 | P | 36 | Very low | 39.2 | Very low | 110 Ų | 110 | 139.6 Ų | 139.6 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | | | trans | -84 | 153.7 | 171.2 | 34 | -33.7 | 0 | 0 | 0 | 112.5 | | |
| 912 | A | 37.5 | Very low | 38.9 | Very low | 92 Ų | 92 | 138.5 Ų | 138.5 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | | | trans | 63.8 | 138.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 913 | V | 43.1 | Very low | 38.9 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | | | | 171.6 | 133.6 | 129.2 | 151.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 914 | Y | 39.8 | Very low | 38.5 | Very low | 213 Ų | 213 | 140.1 Ų | 140.1 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | | | trans | 59.6 | 103.1 | 174.2 | -75 | -61.5 | 0 | 0 | 0 | 120.4 | | |
| 915 | D | 37.2 | Very low | 38.4 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | | | | -49.6 | 150.1 | 129.6 | -53.7 | -98.4 | 0 | 0 | 0 | 111.7 | | |
| 916 | D | 39.8 | Very low | 38.2 | Very low | 142 Ų | 142 | 141.2 Ų | 141.2 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | | | | -161.6 | 160.8 | 129 | -136.5 | -27.3 | 0 | 0 | 0 | 114.1 | | |
| 917 | L | 41.2 | Very low | 38.2 | Very low | 154 Ų | 154 | 143.8 Ų | 143.8 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | | | trans | 66.6 | 85.9 | 160.9 | -61.4 | 176.3 | 0 | 0 | 0 | 120.2 | | |
| 918 | L | 37.3 | Very low | 38.2 | Very low | 184 Ų | 184 | 143.6 Ų | 143.6 | 96% | 0.963 | 80% | 0.804 | S | S | * | * | | | trans | -55.1 | 152.2 | 152.2 | -70.7 | 145.8 | 0 | 0 | 0 | 114.4 | | |
| 919 | G | 36 | Very low | 38.5 | Very low | 66 Ų | 66 | 139.3 Ų | 139.3 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | | | trans | 159.6 | 115.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 920 | A | 36.7 | Very low | 38.9 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | | | | 55.9 | 128.2 | 68.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 921 | S | 37.5 | Very low | 39.1 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | | | cis | -152.5 | 179.2 | 21 | 61.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 922 | D | 34.7 | Very low | 39.5 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | | | trans | -54.2 | 148.2 | 167.1 | -57 | -94 | 0 | 0 | 0 | 114 | | |
| 923 | C | 39.6 | Very low | 39.8 | Very low | 135 Ų | 135 | 137.8 Ų | 137.8 | 91% | 0.912 | 81% | 0.806 | S | S | * | * | | | trans | -160.5 | 134.4 | 132.6 | -103.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 924 | S | 36.6 | Very low | 40.2 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | | | trans | -87.8 | 177.6 | 174.4 | 61.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 925 | R | 38.1 | Very low | 40.2 | Very low | 249 Ų | 249 | 137 Ų | 137 | 94% | 0.94 | 81% | 0.81 | S | S | * | * | | | trans | 89.6 | 101.5 | 165.3 | -148.8 | 179.5 | -150.9 | 169.4 | 5.6 | 115.7 | | |
| 926 | G | 36.5 | Very low | 40.8 | Very low | 70 Ų | 70 | 136 Ų | 136 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | | | trans | -95.8 | -165 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 927 | Y | 39.8 | Very low | 41.1 | Very low | 235 Ų | 235 | 132.9 Ų | 132.9 | 92% | 0.922 | 80% | 0.803 | S | S | * | * | | | trans | -147.2 | 134.9 | -176.9 | -126 | -99.4 | 0 | 0 | 0 | 114.5 | | |
| 928 | S | 41.4 | Very low | 41.6 | Very low | 99 Ų | 99 | 132.8 Ų | 132.8 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | | | trans | 31.6 | 140.3 | 150.8 | -158.6 | 0 | 0 | 0 | 0 | 123.1 | | |
| 929 | G | 42.6 | Very low | 42.3 | Very low | 65 Ų | 65 | 127.4 Ų | 127.4 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | | | trans | -172.2 | 26.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 930 | Y | 45.8 | Very low | 43 | Very low | 220 Ų | 220 | 128 Ų | 128 | 86% | 0.863 | 80% | 0.804 | S | S | * | * | | | trans | 57.7 | 153.6 | 162.8 | -62.7 | -94.2 | 0 | 0 | 0 | 119.8 | | |
| 931 | A | 43.1 | Very low | 43.6 | Very low | 88 Ų | 88 | 131 Ų | 131 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | cis | -169.6 | 176.5 | -22.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 932 | S | 44.4 | Very low | 44 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | 91.5 | 61.1 | 154.6 | -161.9 | 0 | 0 | 0 | 0 | 122.2 | | |
| 933 | A | 43.8 | Very low | 44.8 | Very low | 92 Ų | 92 | 131.8 Ų | 131.8 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | | 31.3 | 137.3 | 121.9 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 934 | K | 51.4 | Low | 45 | Very low | 219 Ų | 219 | 132.5 Ų | 132.5 | 95% | 0.952 | 79% | 0.785 | S | S | * | * | | | | -154.1 | 167.6 | 115 | -108.2 | 166 | -173.9 | 175.9 | 0 | 111.9 | | |
| 935 | S | 41.3 | Very low | 45.4 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | trans | -114.6 | 158.3 | -152.1 | 166.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 936 | T | 49.9 | Very low | 45.7 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | | | | 143.3 | 140.8 | 126.3 | -62 | 0 | 0 | 0 | 0 | 112.9 | | |
| 937 | A | 45.9 | Very low | 46 | Very low | 75 Ų | 75 | 131.4 Ų | 131.4 | 62% | 0.62 | 77% | 0.767 | S | S | * | * | | | cis | -172.8 | 172.9 | -28.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 938 | V | 51.8 | Low | 46.3 | Very low | 152 Ų | 152 | 126.6 Ų | 126.6 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | | | trans | 70.1 | 132.5 | 165.8 | -165 | 0 | 0 | 0 | 0 | 117.2 | | |
| 939 | G | 51.2 | Low | 46.4 | Very low | 72 Ų | 72 | 126.6 Ų | 126.6 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | | | cis | 165.3 | 138.8 | -13.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 940 | G | 50.5 | Low | 46.4 | Very low | 78 Ų | 78 | 126.8 Ų | 126.8 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | 87.7 | 152.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 941 | M | 50 | Low | 46.7 | Very low | 171 Ų | 171 | 123 Ų | 123 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | | | cis | -153.3 | 119.2 | -12.3 | -97.1 | -174.3 | 69.3 | 0 | 0 | 113.4 | | |
| 942 | V | 46.8 | Very low | 46.8 | Very low | 103 Ų | 103 | 127.2 Ų | 127.2 | 62% | 0.624 | 77% | 0.774 | S | S | * | * | | | trans | 31.1 | 119.7 | 130.4 | -165.6 | 0 | 0 | 0 | 0 | 121.8 | | |
| 943 | H | 50.6 | Low | 46.8 | Very low | 176 Ų | 176 | 130.3 Ų | 130.3 | 82% | 0.815 | 78% | 0.775 | S | S | * | * | | | | -163.5 | 154.9 | 113.4 | -108.5 | 78.8 | 0 | 0 | 0 | 115.6 | | |
| 944 | Q | 44.4 | Very low | 47.3 | Very low | 151 Ų | 151 | 132.1 Ų | 132.1 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | | | trans | -107.7 | -170.1 | 177.6 | -55.5 | 162.7 | -74.7 | 0 | 0 | 109 | | |
| 945 | H | 44.4 | Very low | 47 | Very low | 137 Ų | 137 | 125 Ų | 125 | 63% | 0.634 | 77% | 0.768 | S | S | * | * | | | cis | -164.4 | -172.8 | 14 | -142 | 4.6 | 0 | 0 | 0 | 107.4 | | |
| 946 | Q | 44.8 | Very low | 47 | Very low | 152 Ų | 152 | 128.1 Ų | 128.1 | 71% | 0.71 | 78% | 0.776 | S | S | * | * | | | cis | -144.5 | -123.8 | 3.1 | -164 | 162.5 | 56.7 | 0 | 0 | 111.4 | | |
| 947 | T | 43 | Very low | 46.8 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -167.3 | 167.9 | -164.8 | 1.5 | 0 | 0 | 0 | 0 | 112 | | |
| 948 | V | 45.9 | Very low | 46.9 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | trans | 166.5 | 117.4 | 147.9 | 149 | 0 | 0 | 0 | 0 | 106.4 | | |
| 949 | A | 44 | Very low | 46.5 | Very low | 100 Ų | 100 | 128.7 Ų | 128.7 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | | | | 79.5 | 136.6 | 53.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 950 | G | 41.5 | Very low | 46.4 | Very low | 68 Ų | 68 | 135 Ų | 135 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | cis | 176 | -150.6 | -0.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 951 | V | 53.1 | Low | 45.9 | Very low | 141 Ų | 141 | 134.4 Ų | 134.4 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | | | trans | 79.3 | 144.8 | 168 | -172.4 | 0 | 0 | 0 | 0 | 117.3 | | |
| 952 | Q | 44.5 | Very low | 45.7 | Very low | 176 Ų | 176 | 136.8 Ų | 136.8 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | | | | -167.2 | 152.5 | -50.6 | -136.2 | 160.2 | -28.1 | 0 | 0 | 110.9 | | |
| 953 | H | 44.6 | Very low | 45.5 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | | | trans | -95.7 | 159.1 | 168.6 | -75.9 | -89 | 0 | 0 | 0 | 111.9 | | |
| 954 | P | 53.6 | Low | 45.1 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | | | | -138.7 | -175.6 | 93.1 | 38.2 | -23.3 | 0 | 0 | 0 | 112.2 | | |
| 955 | G | 45.5 | Very low | 45.2 | Very low | 70 Ų | 70 | 130.7 Ų | 130.7 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | | | cis | 170.8 | 156.4 | -4.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 956 | D | 41.5 | Very low | 45.3 | Very low | 171 Ų | 171 | 134.4 Ų | 134.4 | 91% | 0.914 | 82% | 0.818 | S | S | * | * | | | trans | -76.7 | 155.5 | -165.5 | -58 | -89.1 | 0 | 0 | 0 | 117.8 | | |
| 957 | A | 44.2 | Very low | 45.6 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 88% | 0.876 | 82% | 0.822 | S | S | * | * | | | trans | -174.4 | 148 | 135.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 958 | G | 48.7 | Very low | 46.2 | Very low | 83 Ų | 83 | 134.6 Ų | 134.6 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | | | trans | 116.7 | 104.5 | 149.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 959 | Q | 44.2 | Very low | 47 | Very low | 181 Ų | 181 | 134 Ų | 134 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | | | trans | -79.6 | 141.7 | 167.6 | -64.6 | 175 | -14.8 | 0 | 0 | 112.4 | | |
| 960 | K | 48.2 | Very low | 47.6 | Very low | 206 Ų | 206 | 140.6 Ų | 140.6 | 90% | 0.896 | 82% | 0.824 | S | S | * | * | | | | 174.3 | 139.2 | 111.3 | -93.9 | 169.1 | -177 | 179.5 | 0 | 109.7 | | |
| 961 | G | 41 | Very low | 48 | Very low | 65 Ų | 65 | 149 Ų | 149 | 67% | 0.67 | 84% | 0.835 | S | S | * | * | | | trans | -115.2 | 165.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 962 | F | 44.5 | Very low | 48.2 | Very low | 220 Ų | 220 | 151.8 Ų | 151.8 | 97% | 0.965 | 84% | 0.836 | S | S | * | * | | | trans | -164.6 | 137.8 | 152 | -111.4 | -72.2 | 0 | 0 | 0 | 110.6 | | |
| 963 | G | 43.3 | Very low | 48.5 | Very low | 77 Ų | 77 | 158.2 Ų | 158.2 | 79% | 0.794 | 85% | 0.854 | S | S | * | * | | | trans | 66.4 | 119.8 | 149 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 964 | G | 42.3 | Very low | 48.6 | Very low | 69 Ų | 69 | 157.1 Ų | 157.1 | 71% | 0.711 | 86% | 0.855 | S | S | * | * | | | | 114.7 | 122.6 | 124.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 965 | N | 45.7 | Very low | 48.4 | Very low | 157 Ų | 157 | 158.6 Ų | 158.6 | 84% | 0.84 | 86% | 0.856 | S | S | * | * | | | trans | 58 | 99.8 | 141.9 | -58.7 | -14.2 | 0 | 0 | 0 | 119.7 | V967 | N965-V967 PolarHBondContact O-N 3.45Š|
| 966 | K | 46.6 | Very low | 48.5 | Very low | 215 Ų | 215 | 163.5 Ų | 163.5 | 94% | 0.935 | 86% | 0.864 | S | S | * | * | | | trans | -65.1 | 112.1 | 160.9 | -68.4 | 177.4 | 179.2 | 174.6 | 0 | 110.7 | | |
| 967 | V | 51.3 | Low | 49 | Very low | 130 Ų | 130 | 163.1 Ų | 163.1 | 79% | 0.788 | 86% | 0.861 | S | S | * | * | | | trans | -92.6 | 138.7 | 168.6 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | N965 | N965-V967 PolarHBondContact O-N 3.45Š|
| 968 | I | 55.8 | Low | 49.3 | Very low | 148 Ų | 148 | 166.6 Ų | 166.6 | 76% | 0.759 | 86% | 0.86 | S | S | * | * | | | trans | -79 | 125.7 | -176.8 | -57.4 | 169.5 | 0 | 0 | 0 | 110.4 | R970 | I968-R970 PolarHBondContact O-N 3.47Š|
| 969 | P | 63.9 | Low | 49.3 | Very low | 121 Ų | 121 | 172.2 Ų | 172.2 | 79% | 0.786 | 86% | 0.86 | S | S | * | * | | | trans | -78.1 | 102.6 | 172 | 30.9 | -32.7 | 0 | 0 | 0 | 111.1 | R971 | P969-R971 PolarHBondContact O-N 3.47Š|
| 970 | R | 54.8 | Low | 49.7 | Very low | 238 Ų | 238 | 171.6 Ų | 171.6 | 90% | 0.898 | 86% | 0.861 | S | S | * | * | | | trans | -73.1 | 122.1 | 164.6 | -101.9 | -176.3 | 167.7 | 179 | -3.7 | 109.7 | I968 | I968-R970 PolarHBondContact O-N 3.47Š|
| 971 | R | 51.1 | Low | 49.8 | Very low | 244 Ų | 244 | 168.9 Ų | 168.9 | 92% | 0.921 | 86% | 0.858 | S | S | * | * | | | trans | -61.3 | 140.4 | 161.8 | -73.5 | -177.4 | 174.5 | 175.5 | -2.3 | 109.9 | P969 | P969-R971 PolarHBondContact O-N 3.47Š|
| 972 | K | 56.5 | Low | 50.5 | Low | 201 Ų | 201 | 177.6 Ų | 177.6 | 87% | 0.874 | 87% | 0.874 | S | S | * | * | | | trans | -118.2 | 171.2 | 154 | -85.4 | -170.8 | 174.8 | -176.4 | 0 | 108.6 | | |
| 973 | Y | 50.2 | Low | 51 | Low | 311 Ų | 311 | 173.7 Ų | 173.7 | 100% | 1.22 | 87% | 0.866 | S | S | * | * | | | trans | -45.2 | 0 | 170.7 | -69.2 | -95.6 | 0 | 0 | 0 | 112.8 | | |