| 1 | M | 45.7 | Very low | 67.6 | Low | 225 Ų | 225 | 115.8 Ų | 115.8 | 100% | 1.108 | 64% | 0.637 | S | S | * | * | | | | 0 | 95 | 0 | -159.5 | 152.3 | -163.7 | 0 | 0 | 105.4 | | |
| 2 | E | 59.3 | Low | 69.5 | Low | 189 Ų | 189 | 113.8 Ų | 113.8 | 88% | 0.883 | 62% | 0.619 | S | S | * | * | | | trans | -118.5 | 80.1 | -160 | -67 | 162.7 | 144.6 | 0 | 0 | 108.8 | | |
| 3 | D | 61.2 | Low | 71.1 | Confident | 125 Ų | 125 | 112.6 Ų | 112.6 | 67% | 0.668 | 61% | 0.607 | S | S | * | * | | | trans | -111.2 | 24.7 | 177.2 | -68.9 | -62.5 | 0 | 0 | 0 | 112.5 | | |
| 4 | V | 64.1 | Low | 72.8 | Confident | 112 Ų | 112 | 109.7 Ų | 109.7 | 68% | 0.679 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -93.4 | -13 | -173.2 | -162.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 5 | N | 62.2 | Low | 74.2 | Confident | 150 Ų | 150 | 113.3 Ų | 113.3 | 80% | 0.802 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -12.9 | -172.7 | -91 | 38.4 | 0 | 0 | 0 | 115.8 | | |
| 6 | S | 62.1 | Low | 75.5 | Confident | 88 Ų | 88 | 114.1 Ų | 114.1 | 62% | 0.615 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -35.5 | 180 | 52.1 | 0 | 0 | 0 | 0 | 112.9 | V8 N9 A10 | S6-V8 PolarHBondContact O-N 3.48Å; S6-N9 PolarHBondContact O-N 3.48Å; S6-A10 PolarHBondContact O-N 3.22Å |
| 7 | N | 61.6 | Low | 76.8 | Confident | 102 Ų | 102 | 113.6 Ų | 113.6 | 55% | 0.545 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -69.5 | -33 | -176.6 | -163.2 | 44.6 | 0 | 0 | 0 | 113.1 | N9 A10 D11 | N7-N9 PolarHBondContact O-N 2.97Å; N7-A10 WeakPolarHBondContact O-CB 3.32Å; N7-A10 PolarHBondContact O-N 3.28Å; N7-D11 PolarHBondContact ND2-OD2 3.07Å; N7-D11 PolarHBondContact O-N 3.48Å |
| 8 | V | 70.3 | Confident | 77.9 | Confident | 82 Ų | 82 | 114.2 Ų | 114.2 | 50% | 0.497 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.1 | -31.3 | 177 | 179.9 | 0 | 0 | 0 | 0 | 111.6 | S6 Q12 | S6-V8 PolarHBondContact O-N 3.48Å; V8-Q12 VanDerWaalsContact O-CG 3.31Å; V8-Q12 WeakPolarHBondContact O-CG 3.43Å; V8-Q12 PolarHBondContact O-N 3.4Å |
| 9 | N | 80.3 | Confident | 78.9 | Confident | 80 Ų | 80 | 115.8 Ų | 115.8 | 43% | 0.428 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -73.7 | -39.1 | 175.2 | -171.1 | 47.8 | 0 | 0 | 0 | 111.8 | S6 N7 Q12 E13 | S6-N9 PolarHBondContact O-N 3.48Å; N7-N9 PolarHBondContact O-N 2.97Å; N9-Q12 PolarHBondContact O-N 2.89Å; N9-E13 PolarHBondContact ND2-OE1 3Å; N9-E13 WeakPolarHBondContact O-CG 3.49Å; N9-E13 PolarHBondContact O-N 3.46Å |
| 10 | A | 86.9 | Confident | 79.8 | Confident | 44 Ų | 44 | 114.8 Ų | 114.8 | 36% | 0.364 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62 | -45.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S6 N7 Q12 E13 V14 | S6-A10 PolarHBondContact O-N 3.22Å; N7-A10 WeakPolarHBondContact O-CB 3.32Å; N7-A10 PolarHBondContact O-N 3.28Å; A10-Q12 VanDerWaalsContact C-N 3.32Å; A10-Q12 PolarHBondContact O-N 3.03Å; A10-E13 PolarHBondContact O-N 2.83Å; A10-V14 WeakPolarHBondContact O-CG2 3.47Å; A10-V14 PolarHBondContact O-N 3.27Å |
| 11 | D | 90.2 | Very high | 80.6 | Confident | 77 Ų | 77 | 112.9 Ų | 112.9 | 41% | 0.412 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.3 | -37.6 | 176 | -73.5 | -53.6 | 0 | 0 | 0 | 112.4 | N7 R15 | N7-D11 PolarHBondContact ND2-OD2 3.07Å; N7-D11 PolarHBondContact O-N 3.48Å; D11-R15 WeakPolarHBondContact O-CG 3.31Å; D11-R15 PolarHBondContact O-N 3.2Å |
| 12 | Q | 90.5 | Very high | 83.1 | Confident | 91 Ų | 91 | 109.6 Ų | 109.6 | 43% | 0.425 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.3 | -39 | 174.6 | -76.2 | -177.9 | 22.8 | 0 | 0 | 112.5 | V8 N9 A10 R15 K16 | V8-Q12 VanDerWaalsContact O-CG 3.31Å; V8-Q12 WeakPolarHBondContact O-CG 3.43Å; V8-Q12 PolarHBondContact O-N 3.4Å; N9-Q12 PolarHBondContact O-N 2.89Å; A10-Q12 VanDerWaalsContact C-N 3.32Å; A10-Q12 PolarHBondContact O-N 3.03Å; Q12-R15 PolarHBondContact O-N 3.47Å; Q12-K16 VanDerWaalsContact O-CG 3.29Å; Q12-K16 WeakPolarHBondContact O-CG 3.31Å; Q12-K16 PolarHBondContact O-N 3.35Å |
| 13 | E | 90.4 | Very high | 84.9 | Confident | 99 Ų | 99 | 107.1 Ų | 107.1 | 46% | 0.463 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65 | -42.2 | 174.7 | -76.5 | 178.1 | -154 | 0 | 0 | 111.4 | N9 A10 R15 K16 L17 | N9-E13 PolarHBondContact ND2-OE1 3Å; N9-E13 WeakPolarHBondContact O-CG 3.49Å; N9-E13 PolarHBondContact O-N 3.46Å; A10-E13 PolarHBondContact O-N 2.83Å; E13-R15 PolarHBondContact O-N 3.39Å; E13-K16 PolarHBondContact O-N 3.05Å; E13-L17 WeakPolarHBondContact O-CB 3.38Å; E13-L17 VanDerWaalsContact O-CG 3.31Å; E13-L17 WeakPolarHBondContact O-CG 3.28Å; E13-L17 PolarHBondContact O-N 3.21Å |
| 14 | V | 94.4 | Very high | 86.6 | Confident | 72 Ų | 72 | 105.3 Ų | 105.3 | 44% | 0.436 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 174.6 | 173 | 0 | 0 | 0 | 0 | 111.1 | A10 K16 L17 Q18 | A10-V14 WeakPolarHBondContact O-CG2 3.47Å; A10-V14 PolarHBondContact O-N 3.27Å; V14-K16 PolarHBondContact O-N 3.2Å; V14-L17 PolarHBondContact O-N 2.84Å; V14-Q18 HydrophobicContact CG1-CG 4.47Å; V14-Q18 WeakPolarHBondContact O-CG 3.35Å; V14-Q18 PolarHBondContact O-N 3.28Å |
| 15 | R | 94.2 | Very high | 88.1 | Confident | 164 Ų | 164 | 105.9 Ų | 105.9 | 62% | 0.619 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.2 | -42.6 | 174.8 | -73.1 | 179.6 | -162.7 | 162.6 | 6.9 | 112.4 | D11 Q12 E13 L17 Q18 E19 | D11-R15 WeakPolarHBondContact O-CG 3.31Å; D11-R15 PolarHBondContact O-N 3.2Å; Q12-R15 PolarHBondContact O-N 3.47Å; E13-R15 PolarHBondContact O-N 3.39Å; R15-L17 VanDerWaalsContact C-N 3.32Å; R15-L17 PolarHBondContact O-N 3.46Å; R15-Q18 PolarHBondContact O-N 2.85Å; R15-E19 PolarHBondContact O-N 2.88Å |
| 16 | K | 94.7 | Very high | 89.7 | Confident | 126 Ų | 126 | 106.4 Ų | 106.4 | 55% | 0.548 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 175.2 | -74.6 | 171 | -176.1 | 169 | 0 | 111.6 | Q12 E13 V14 E19 L20 | Q12-K16 VanDerWaalsContact O-CG 3.29Å; Q12-K16 WeakPolarHBondContact O-CG 3.31Å; Q12-K16 PolarHBondContact O-N 3.35Å; E13-K16 PolarHBondContact O-N 3.05Å; V14-K16 PolarHBondContact O-N 3.2Å; K16-E19 PolarHBondContact O-N 2.87Å; K16-L20 WeakPolarHBondContact O-CB 3.29Å; K16-L20 PolarHBondContact O-N 2.89Å |
| 17 | L | 97.1 | Very high | 91.2 | Very high | 105 Ų | 105 | 107.1 Ų | 107.1 | 55% | 0.55 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 176.2 | -72.2 | 171.4 | 0 | 0 | 0 | 111.6 | E13 V14 R15 L20 V21 | E13-L17 WeakPolarHBondContact O-CB 3.38Å; E13-L17 VanDerWaalsContact O-CG 3.31Å; E13-L17 WeakPolarHBondContact O-CG 3.28Å; E13-L17 PolarHBondContact O-N 3.21Å; V14-L17 PolarHBondContact O-N 2.84Å; R15-L17 VanDerWaalsContact C-N 3.32Å; R15-L17 PolarHBondContact O-N 3.46Å; L17-L20 PolarHBondContact O-N 3.43Å; L17-V21 VanDerWaalsContact O-CG2 3.31Å; L17-V21 WeakPolarHBondContact O-CG2 3.38Å; L17-V21 PolarHBondContact O-N 2.87Å |
| 18 | Q | 96.7 | Very high | 92.8 | Very high | 124 Ų | 124 | 106.1 Ų | 106.1 | 58% | 0.579 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.1 | -43.7 | 175 | -73.9 | 173.9 | -8.2 | 0 | 0 | 112.1 | V14 R15 L20 V21 K22 | V14-Q18 HydrophobicContact CG1-CG 4.47Å; V14-Q18 WeakPolarHBondContact O-CG 3.35Å; V14-Q18 PolarHBondContact O-N 3.28Å; R15-Q18 PolarHBondContact O-N 2.85Å; Q18-L20 VanDerWaalsContact C-N 3.34Å; Q18-V21 PolarHBondContact O-N 2.85Å; Q18-K22 WeakPolarHBondContact O-CB 3.43Å; Q18-K22 PolarHBondContact O-N 2.96Å |
| 19 | E | 96.6 | Very high | 93.9 | Very high | 146 Ų | 146 | 107.5 Ų | 107.5 | 68% | 0.682 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.9 | -40.5 | 174.2 | -76.7 | -172.4 | 169.8 | 0 | 0 | 112.1 | R15 K16 K22 K23 | R15-E19 PolarHBondContact O-N 2.88Å; K16-E19 PolarHBondContact O-N 2.87Å; E19-K22 PolarHBondContact O-N 3.3Å; E19-K23 WeakPolarHBondContact O-CB 3.33Å; E19-K23 PolarHBondContact O-N 3.26Å |
| 20 | L | 97.3 | Very high | 94.4 | Very high | 94 Ų | 94 | 109.6 Ų | 109.6 | 49% | 0.492 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65 | -46.7 | 177.8 | -176.6 | 63.9 | 0 | 0 | 0 | 111.7 | K16 L17 Q18 K23 L24 | K16-L20 WeakPolarHBondContact O-CB 3.29Å; K16-L20 PolarHBondContact O-N 2.89Å; L17-L20 PolarHBondContact O-N 3.43Å; Q18-L20 VanDerWaalsContact C-N 3.34Å; L20-K23 PolarHBondContact O-N 3.49Å; L20-L24 HydrophobicContact CG-CD1 4.24Å; L20-L24 WeakPolarHBondContact O-CG 3.35Å; L20-L24 PolarHBondContact O-N 3.46Å |
| 21 | V | 97 | Very high | 94.6 | Very high | 75 Ų | 75 | 111.9 Ų | 111.9 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.5 | -47.9 | 176.2 | 170.2 | 0 | 0 | 0 | 0 | 110.2 | L17 Q18 K23 L24 E25 | L17-V21 VanDerWaalsContact O-CG2 3.31Å; L17-V21 WeakPolarHBondContact O-CG2 3.38Å; L17-V21 PolarHBondContact O-N 2.87Å; Q18-V21 PolarHBondContact O-N 2.85Å; V21-K23 VanDerWaalsContact C-N 3.27Å; V21-K23 PolarHBondContact O-N 2.95Å; V21-L24 PolarHBondContact O-N 3.48Å; V21-L24 VanDerWaalsContact O-N 3.13Å; V21-E25 HydrophobicContact CG1-CG 4.33Å; V21-E25 WeakPolarHBondContact O-CG 3.31Å; V21-E25 PolarHBondContact O-N 3.23Å |
| 22 | K | 97.3 | Very high | 94.4 | Very high | 156 Ų | 156 | 115.9 Ų | 115.9 | 68% | 0.678 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.6 | -37.3 | 177.1 | -172.2 | 174.2 | -176 | 173.1 | 0 | 112.5 | Q18 E19 K26 | Q18-K22 WeakPolarHBondContact O-CB 3.43Å; Q18-K22 PolarHBondContact O-N 2.96Å; E19-K22 PolarHBondContact O-N 3.3Å; K22-K26 WeakPolarHBondContact O-CB 3.48Å; K22-K26 PolarHBondContact O-N 2.95Å; K22-K26 VanDerWaalsContact O-N 3.11Å |
| 23 | K | 97.1 | Very high | 94.3 | Very high | 138 Ų | 138 | 115 Ų | 115 | 60% | 0.6 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -69.1 | -42.1 | 176 | -169 | 175.3 | -179.7 | -177.7 | 0 | 111.6 | E19 L20 V21 K26 Q27 | E19-K23 WeakPolarHBondContact O-CB 3.33Å; E19-K23 PolarHBondContact O-N 3.26Å; L20-K23 PolarHBondContact O-N 3.49Å; V21-K23 VanDerWaalsContact C-N 3.27Å; V21-K23 PolarHBondContact O-N 2.95Å; K23-K26 PolarHBondContact O-N 2.86Å; K23-Q27 WeakPolarHBondContact O-CG 3.3Å; K23-Q27 PolarHBondContact O-N 2.86Å |
| 24 | L | 96.9 | Very high | 94 | Very high | 86 Ų | 86 | 118.3 Ų | 118.3 | 45% | 0.45 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.8 | -40.7 | 176.3 | -74.9 | 171.9 | 0 | 0 | 0 | 112.1 | L20 V21 Q27 N28 | L20-L24 HydrophobicContact CG-CD1 4.24Å; L20-L24 WeakPolarHBondContact O-CG 3.35Å; L20-L24 PolarHBondContact O-N 3.46Å; V21-L24 PolarHBondContact O-N 3.48Å; V21-L24 VanDerWaalsContact O-N 3.13Å; L24-Q27 PolarHBondContact O-N 3.4Å; L24-N28 WeakPolarHBondContact O-CB 3.29Å; L24-N28 PolarHBondContact O-N 2.85Å |
| 25 | E | 95.4 | Very high | 92.9 | Very high | 124 Ų | 124 | 118.3 Ų | 118.3 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60 | -46 | 173.5 | -74.5 | 176.5 | 159.2 | 0 | 0 | 110.9 | V21 Q27 N28 E29 | V21-E25 HydrophobicContact CG1-CG 4.33Å; V21-E25 WeakPolarHBondContact O-CG 3.31Å; V21-E25 PolarHBondContact O-N 3.23Å; E25-Q27 PolarHBondContact O-N 3.4Å; E25-N28 PolarHBondContact O-N 2.87Å; E25-E29 WeakPolarHBondContact O-CB 3.13Å; E25-E29 PolarHBondContact O-N 3.39Å |
| 26 | K | 95.9 | Very high | 91.5 | Very high | 162 Ų | 162 | 112.8 Ų | 112.8 | 70% | 0.704 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -62.8 | -41.5 | 176.4 | -171.7 | 177 | -179.6 | 179.3 | 0 | 112.5 | K22 K23 E29 Q30 | K22-K26 WeakPolarHBondContact O-CB 3.48Å; K22-K26 PolarHBondContact O-N 2.95Å; K22-K26 VanDerWaalsContact O-N 3.11Å; K23-K26 PolarHBondContact O-N 2.86Å; K26-E29 PolarHBondContact O-N 3.32Å; K26-Q30 PolarHBondContact O-N 3.47Å |
| 27 | Q | 94.8 | Very high | 89.7 | Confident | 102 Ų | 102 | 110.4 Ų | 110.4 | 48% | 0.477 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.1 | -43.1 | 175 | -75.1 | -176.1 | -65.1 | 0 | 0 | 111.5 | K23 L24 E25 E29 Q30 L31 | K23-Q27 WeakPolarHBondContact O-CG 3.3Å; K23-Q27 PolarHBondContact O-N 2.86Å; L24-Q27 PolarHBondContact O-N 3.4Å; E25-Q27 PolarHBondContact O-N 3.4Å; Q27-E29 PolarHBondContact O-N 3.45Å; Q27-Q30 WeakPolarHBondContact O-CB 3.4Å; Q27-Q30 PolarHBondContact O-N 3.37Å; Q27-L31 WeakPolarHBondContact O-CG 3.34Å; Q27-L31 PolarHBondContact O-N 2.9Å |
| 28 | N | 93.8 | Very high | 87.8 | Confident | 81 Ų | 81 | 111 Ų | 111 | 43% | 0.433 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.1 | -38 | 176.5 | -95.9 | -37.6 | 0 | 0 | 0 | 112.7 | L24 E25 Q30 L31 R32 | L24-N28 WeakPolarHBondContact O-CB 3.29Å; L24-N28 PolarHBondContact O-N 2.85Å; E25-N28 PolarHBondContact O-N 2.87Å; N28-Q30 VanDerWaalsContact C-N 3.34Å; N28-L31 PolarHBondContact O-N 3.25Å; N28-R32 WeakPolarHBondContact O-CG 3.39Å; N28-R32 PolarHBondContact O-N 3.3Å |
| 29 | E | 93.8 | Very high | 85.9 | Confident | 111 Ų | 111 | 113.2 Ų | 113.2 | 52% | 0.519 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.8 | -39.2 | 174.9 | -167.8 | 56.9 | -142.5 | 0 | 0 | 111.4 | E25 K26 Q27 R32 S33 | E25-E29 WeakPolarHBondContact O-CB 3.13Å; E25-E29 PolarHBondContact O-N 3.39Å; K26-E29 PolarHBondContact O-N 3.32Å; Q27-E29 PolarHBondContact O-N 3.45Å; E29-R32 PolarHBondContact O-N 2.94Å; E29-S33 WeakPolarHBondContact O-CB 3.44Å; E29-S33 PolarHBondContact O-N 3.45Å; E29-S33 PolarHBondContact O-OG 2.99Å |
| 30 | Q | 91.9 | Very high | 83.6 | Confident | 125 Ų | 125 | 109.7 Ų | 109.7 | 58% | 0.584 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.1 | -40.4 | 173.3 | -171.7 | 175.2 | 7.2 | 0 | 0 | 111.7 | K26 Q27 N28 S33 R34 | K26-Q30 PolarHBondContact O-N 3.47Å; Q27-Q30 WeakPolarHBondContact O-CB 3.4Å; Q27-Q30 PolarHBondContact O-N 3.37Å; N28-Q30 VanDerWaalsContact C-N 3.34Å; Q30-S33 PolarHBondContact O-N 2.96Å; Q30-R34 VanDerWaalsContact O-CG 3.3Å; Q30-R34 WeakPolarHBondContact O-CG 3.31Å; Q30-R34 PolarHBondContact O-N 3.01Å |
| 31 | L | 90.5 | Very high | 81.3 | Confident | 92 Ų | 92 | 109.6 Ų | 109.6 | 48% | 0.482 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65 | -43.7 | 174.4 | -69.5 | 173.6 | 0 | 0 | 0 | 111.5 | Q27 N28 S33 R34 S35 | Q27-L31 WeakPolarHBondContact O-CG 3.34Å; Q27-L31 PolarHBondContact O-N 2.9Å; N28-L31 PolarHBondContact O-N 3.25Å; L31-S33 VanDerWaalsContact C-N 3.34Å; L31-S33 PolarHBondContact O-N 3.41Å; L31-R34 PolarHBondContact O-N 2.91Å; L31-S35 WeakPolarHBondContact O-CB 3.38Å; L31-S35 PolarHBondContact O-N 2.86Å; L31-S35 PolarHBondContact O-OG 3.28Å; L31-S35 VanDerWaalsContact O-OG 3.13Å |
| 32 | R | 87 | Confident | 78.6 | Confident | 160 Ų | 160 | 109.7 Ų | 109.7 | 60% | 0.604 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -58.2 | -45 | 173.7 | -77.4 | -179.4 | 167.7 | 88.2 | 2.1 | 112.1 | N28 E29 R34 S35 G36 | N28-R32 WeakPolarHBondContact O-CG 3.39Å; N28-R32 PolarHBondContact O-N 3.3Å; E29-R32 PolarHBondContact O-N 2.94Å; R32-R34 PolarHBondContact O-N 2.82Å; R32-S35 PolarHBondContact O-N 3.47Å; R32-G36 PolarHBondContact O-N 3.41Å |
| 33 | S | 87.1 | Confident | 76 | Confident | 72 Ų | 72 | 107.5 Ų | 107.5 | 50% | 0.503 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.2 | -39.5 | 177.1 | -61.9 | 0 | 0 | 0 | 0 | 112.3 | E29 Q30 L31 A37 | E29-S33 WeakPolarHBondContact O-CB 3.44Å; E29-S33 PolarHBondContact O-N 3.45Å; E29-S33 PolarHBondContact O-OG 2.99Å; Q30-S33 PolarHBondContact O-N 2.96Å; L31-S33 VanDerWaalsContact C-N 3.34Å; L31-S33 PolarHBondContact O-N 3.41Å; S33-A37 PolarHBondContact O-N 3.44Å |
| 34 | R | 84.5 | Confident | 73.7 | Confident | 169 Ų | 169 | 109.4 Ų | 109.4 | 64% | 0.638 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.6 | -41.9 | 176.3 | -70.7 | 179.3 | 81.3 | -163.4 | 4 | 112.1 | Q30 L31 R32 G36 A37 V38 | Q30-R34 VanDerWaalsContact O-CG 3.3Å; Q30-R34 WeakPolarHBondContact O-CG 3.31Å; Q30-R34 PolarHBondContact O-N 3.01Å; L31-R34 PolarHBondContact O-N 2.91Å; R32-R34 PolarHBondContact O-N 2.82Å; R34-G36 VanDerWaalsContact C-N 3.33Å; R34-A37 PolarHBondContact O-N 2.88Å; R34-V38 PolarHBondContact O-N 3.29Å |
| 35 | S | 72.1 | Confident | 71 | Confident | 73 Ų | 73 | 108.7 Ų | 108.7 | 51% | 0.51 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -68 | -32.4 | 177.2 | -63.6 | 0 | 0 | 0 | 0 | 112.4 | L31 R32 V38 | L31-S35 WeakPolarHBondContact O-CB 3.38Å; L31-S35 PolarHBondContact O-N 2.86Å; L31-S35 PolarHBondContact O-OG 3.28Å; L31-S35 VanDerWaalsContact O-OG 3.13Å; R32-S35 PolarHBondContact O-N 3.47Å; S35-V38 PolarHBondContact O-N 2.79Å |
| 36 | G | 64.3 | Low | 68.7 | Low | 47 Ų | 47 | 109.6 Ų | 109.6 | 49% | 0.485 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -67.4 | -34.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R32 R34 V38 Q39 | R32-G36 PolarHBondContact O-N 3.41Å; R34-G36 VanDerWaalsContact C-N 3.33Å; G36-V38 VanDerWaalsContact C-N 3.32Å; G36-V38 PolarHBondContact O-N 3.3Å; G36-Q39 PolarHBondContact O-N 2.97Å |
| 37 | A | 57.2 | Low | 66.2 | Low | 76 Ų | 76 | 105.5 Ų | 105.5 | 63% | 0.628 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -69.7 | -27 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S33 R34 | S33-A37 PolarHBondContact O-N 3.44Å; R34-A37 PolarHBondContact O-N 2.88Å |
| 38 | V | 57.6 | Low | 63.5 | Low | 118 Ų | 118 | 106 Ų | 106 | 72% | 0.715 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -82.4 | -21.3 | -179.8 | 178.4 | 0 | 0 | 0 | 0 | 112.4 | R34 S35 G36 | R34-V38 PolarHBondContact O-N 3.29Å; S35-V38 PolarHBondContact O-N 2.79Å; G36-V38 VanDerWaalsContact C-N 3.32Å; G36-V38 PolarHBondContact O-N 3.3Å |
| 39 | Q | 56 | Low | 61.3 | Low | 170 Ų | 170 | 107.6 Ų | 107.6 | 79% | 0.794 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -8 | 177.7 | -66.5 | -171.9 | 14.5 | 0 | 0 | 114 | G36 | G36-Q39 PolarHBondContact O-N 2.97Š|
| 40 | G | 49.2 | Very low | 58.8 | Low | 73 Ų | 73 | 108.3 Ų | 108.3 | 75% | 0.753 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -5.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 41 | A | 48.2 | Very low | 56.3 | Low | 92 Ų | 92 | 113.8 Ų | 113.8 | 76% | 0.76 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -127.1 | 19.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 42 | G | 40 | Very low | 54 | Low | 77 Ų | 77 | 114.3 Ų | 114.3 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | | | trans | -115.6 | 58.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 43 | S | 42.4 | Very low | 51.7 | Low | 110 Ų | 110 | 110.1 Ų | 110.1 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | | | trans | -132.2 | 108.4 | 162.7 | -175.5 | 0 | 0 | 0 | 0 | 106.8 | | |
| 44 | L | 49.7 | Very low | 49.6 | Very low | 177 Ų | 177 | 111.5 Ų | 111.5 | 93% | 0.927 | 76% | 0.755 | S | S | * | * | | | trans | 157.3 | 99.8 | 159.1 | -82.5 | 160.6 | 0 | 0 | 0 | 108.4 | | |
| 45 | G | 41 | Very low | 47.6 | Very low | 72 Ų | 72 | 109 Ų | 109 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | | | trans | -76.9 | 157.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 46 | P | 47.1 | Very low | 46.2 | Very low | 142 Ų | 142 | 113 Ų | 113 | 92% | 0.922 | 78% | 0.778 | S | S | * | * | | | trans | -90.7 | 113.9 | -175.5 | 33.4 | -28.7 | 0 | 0 | 0 | 111.6 | | |
| 47 | G | 42 | Very low | 45.4 | Very low | 76 Ų | 76 | 116.6 Ų | 116.6 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | | | trans | -106.5 | 135.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 48 | S | 37.9 | Very low | 44.6 | Very low | 113 Ų | 113 | 117.7 Ų | 117.7 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | trans | -70 | 153.1 | -177.1 | -175.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 49 | P | 47.7 | Very low | 44 | Very low | 115 Ų | 115 | 117.8 Ų | 117.8 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | | | trans | -139.6 | 121.8 | 130.2 | 33.5 | -18.1 | 0 | 0 | 0 | 112.1 | | |
| 50 | V | 42.1 | Very low | 43.3 | Very low | 126 Ų | 126 | 113.1 Ų | 113.1 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | | | | 57.5 | 99.4 | 89 | -177.5 | 0 | 0 | 0 | 0 | 116.4 | | |
| 51 | R | 39.6 | Very low | 43.1 | Very low | 240 Ų | 240 | 114.8 Ų | 114.8 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | | | | 53.7 | 118.4 | 126.6 | -162.5 | -177.2 | -165.5 | -161.3 | 3.4 | 121.8 | | |
| 52 | A | 41.2 | Very low | 42.7 | Very low | 103 Ų | 103 | 115.1 Ų | 115.1 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | | | | 161.2 | 140.4 | 125.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 53 | G | 39.9 | Very low | 42.7 | Very low | 71 Ų | 71 | 116.9 Ų | 116.9 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | | | cis | 159 | 141.3 | 4.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 54 | A | 42.7 | Very low | 43.1 | Very low | 102 Ų | 102 | 116.6 Ų | 116.6 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | | | trans | 69.6 | 140.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 55 | S | 41.5 | Very low | 42.7 | Very low | 117 Ų | 117 | 120.2 Ų | 120.2 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | cis | -172.7 | 146.9 | 0.9 | 35.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 56 | I | 43.6 | Very low | 42.7 | Very low | 157 Ų | 157 | 120.4 Ų | 120.4 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | | | trans | -79.7 | 171.5 | 173.6 | -24.1 | 179.1 | 0 | 0 | 0 | 110.3 | | |
| 57 | P | 47.8 | Very low | 42.6 | Very low | 121 Ų | 121 | 123.6 Ų | 123.6 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | | | | -150.3 | 144.3 | 66.4 | 34.2 | -10.5 | 0 | 0 | 0 | 119 | | |
| 58 | S | 40.6 | Very low | 42.7 | Very low | 100 Ų | 100 | 125.2 Ų | 125.2 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | | | trans | 20.1 | 132.1 | 131.2 | -175.5 | 0 | 0 | 0 | 0 | 123.1 | | |
| 59 | S | 44.6 | Very low | 42.8 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | | | | 164.6 | 142.8 | 120.4 | -71.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 60 | G | 41.2 | Very low | 42.4 | Very low | 71 Ų | 71 | 126.6 Ų | 126.6 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | | | cis | 164.5 | 149.9 | 2.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 61 | A | 43.6 | Very low | 42.5 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | | | trans | 62.6 | 145.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 62 | A | 41.3 | Very low | 42.6 | Very low | 98 Ų | 98 | 124.1 Ų | 124.1 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | | | cis | -162.5 | 155.6 | -2 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 63 | S | 40 | Very low | 42.6 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | -70.2 | -169.8 | 172.5 | -119.5 | 0 | 0 | 0 | 0 | 113 | | |
| 64 | P | 49.9 | Very low | 42.9 | Very low | 104 Ų | 104 | 128.9 Ų | 128.9 | 68% | 0.675 | 82% | 0.82 | S | S | * | * | | | cis | -142.6 | -170.9 | -19.1 | 32.3 | -9.3 | 0 | 0 | 0 | 114.8 | | |
| 65 | R | 42.1 | Very low | 42.9 | Very low | 252 Ų | 252 | 129.5 Ų | 129.5 | 95% | 0.951 | 82% | 0.819 | S | S | * | * | | | trans | 88.2 | 124.8 | 149.1 | -81.7 | 173.7 | 145.1 | 173.3 | -7 | 121.2 | | |
| 66 | G | 41 | Very low | 42.8 | Very low | 77 Ų | 77 | 127.7 Ų | 127.7 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | | | trans | 138.6 | 98.5 | 136.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 67 | F | 43.5 | Very low | 42.5 | Very low | 208 Ų | 208 | 124.1 Ų | 124.1 | 91% | 0.912 | 82% | 0.821 | S | S | * | * | | | trans | -63.7 | 168.1 | 152.1 | -68.9 | -81 | 0 | 0 | 0 | 110 | | |
| 68 | P | 46 | Very low | 42.1 | Very low | 111 Ų | 111 | 122 Ų | 122 | 72% | 0.721 | 82% | 0.82 | S | S | * | * | | | cis | -150.5 | 175 | 31.1 | 39.7 | -16.1 | 0 | 0 | 0 | 119 | | |
| 69 | L | 40 | Very low | 42.4 | Very low | 177 Ų | 177 | 123.7 Ų | 123.7 | 93% | 0.927 | 83% | 0.829 | S | S | * | * | | | trans | 17.6 | 134 | 145.4 | -57.2 | 170.1 | 0 | 0 | 0 | 121 | | |
| 70 | G | 39.4 | Very low | 42.3 | Very low | 80 Ų | 80 | 121.6 Ų | 121.6 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | | | trans | -179 | 100.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 71 | L | 43.5 | Very low | 42.4 | Very low | 186 Ų | 186 | 124.1 Ų | 124.1 | 97% | 0.974 | 83% | 0.833 | S | S | * | * | | | trans | -67.3 | 136.8 | 169.5 | -70.5 | 149.7 | 0 | 0 | 0 | 110.6 | | |
| 72 | S | 41.1 | Very low | 42.2 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | | | trans | -151.6 | 143.5 | 153.2 | -160.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 73 | A | 41.5 | Very low | 42.5 | Very low | 85 Ų | 85 | 124 Ų | 124 | 70% | 0.702 | 83% | 0.825 | S | S | * | * | | | trans | -77.1 | 162 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 74 | K | 47.1 | Very low | 42.2 | Very low | 189 Ų | 189 | 127.4 Ų | 127.4 | 82% | 0.822 | 82% | 0.821 | S | S | * | * | | | | 155.4 | 137.9 | 98.2 | -163.3 | 144.4 | 78.6 | 172.9 | 0 | 112.7 | | |
| 75 | S | 41.5 | Very low | 41.7 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | | | trans | 59.4 | 137.3 | 153 | 61.5 | 0 | 0 | 0 | 0 | 119.3 | | |
| 76 | G | 39.5 | Very low | 41.6 | Very low | 79 Ų | 79 | 124.9 Ų | 124.9 | 81% | 0.814 | 81% | 0.811 | S | S | * | * | | | cis | 163.7 | 162.4 | 5.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 77 | G | 37.6 | Very low | 41.3 | Very low | 82 Ų | 82 | 126.5 Ų | 126.5 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | | | trans | 99.9 | 82.3 | 150 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 78 | G | 39.6 | Very low | 41 | Very low | 75 Ų | 75 | 121.5 Ų | 121.5 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | | 71.5 | 156.4 | 113.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 79 | P | 47.5 | Very low | 40.7 | Very low | 136 Ų | 136 | 124.9 Ų | 124.9 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | | | trans | -124.6 | 172.7 | -136.6 | 38.2 | -22.3 | 0 | 0 | 0 | 115 | | |
| 80 | G | 41.4 | Very low | 40.6 | Very low | 76 Ų | 76 | 125.1 Ų | 125.1 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | | | trans | 152.8 | 127.1 | 151.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 81 | S | 43.4 | Very low | 40.7 | Very low | 124 Ų | 124 | 127 Ų | 127 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | | | trans | 85.9 | 110.1 | 144.8 | -150.8 | 0 | 0 | 0 | 0 | 120.3 | | |
| 82 | G | 39.9 | Very low | 40.5 | Very low | 61 Ų | 61 | 128.1 Ų | 128.1 | 63% | 0.629 | 79% | 0.786 | S | S | * | * | | | trans | -81.9 | 176.6 | 151.3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 83 | P | 46.4 | Very low | 40.2 | Very low | 143 Ų | 143 | 129.4 Ų | 129.4 | 93% | 0.929 | 78% | 0.782 | S | S | * | * | | | | -144.6 | -172.3 | 117.2 | 34.4 | -15.6 | 0 | 0 | 0 | 113.7 | | |
| 84 | R | 35.3 | Very low | 40.3 | Very low | 187 Ų | 187 | 129.7 Ų | 129.7 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | -134.4 | 154.6 | -148.1 | -165.2 | -160 | 168.9 | -166.6 | -0.8 | 111.8 | | |
| 85 | R | 38.3 | Very low | 39.8 | Very low | 182 Ų | 182 | 127.8 Ų | 127.8 | 69% | 0.687 | 79% | 0.789 | S | S | * | * | | | trans | 75 | 144.3 | 161.4 | -43.8 | -167.6 | -173.7 | -132 | 20.6 | 116.1 | | |
| 86 | T | 39.8 | Very low | 39.9 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | | | | -170.9 | 133.2 | 53.1 | 49.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 87 | S | 36.2 | Very low | 40.2 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | | 77.1 | 143.4 | 98.6 | 76.5 | 0 | 0 | 0 | 0 | 120.3 | | |
| 88 | S | 37.2 | Very low | 40.2 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | | | trans | 79.7 | 114.6 | 165.4 | -87.8 | 0 | 0 | 0 | 0 | 118.7 | | |
| 89 | E | 38.7 | Very low | 40.3 | Very low | 182 Ų | 182 | 135.4 Ų | 135.4 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | | | | 80.4 | 103.4 | 66.6 | -74.3 | -162.2 | 135.7 | 0 | 0 | 114.6 | | |
| 90 | E | 38.9 | Very low | 40.1 | Very low | 182 Ų | 182 | 134.1 Ų | 134.1 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | | | trans | 167.2 | 115.5 | 136.5 | -102.5 | -169.9 | 92.6 | 0 | 0 | 108.8 | | |
| 91 | L | 39.6 | Very low | 39.9 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 63% | 0.628 | 79% | 0.785 | S | S | * | * | | | | 78.5 | 112.2 | 74.4 | -137.5 | 89.2 | 0 | 0 | 0 | 114.8 | | |
| 92 | R | 40.5 | Very low | 39.7 | Very low | 210 Ų | 210 | 137.7 Ų | 137.7 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | | | trans | 92.3 | 127.3 | 145.3 | -42.2 | -160.4 | 175.8 | 168.9 | 6.3 | 121.5 | | |
| 93 | D | 34.6 | Very low | 39.4 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | 54.2 | 116.9 | 139.2 | -83.9 | -16.5 | 0 | 0 | 0 | 120.1 | | |
| 94 | A | 43.1 | Very low | 38.7 | Very low | 91 Ų | 91 | 135.7 Ų | 135.7 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | | | | -172.6 | 104.2 | 108.1 | 0 | 0 | 0 | 0 | 0 | 110 | S96 | A94-S96 PolarHBondContact O-N 2.86Å; A94-S96 VanDerWaalsContact O-N 3.08Å |
| 95 | T | 37.7 | Very low | 39.1 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 92% | 0.92 | 80% | 0.795 | S | S | * | * | | | trans | -54.2 | 106.9 | 153 | -55 | 0 | 0 | 0 | 0 | 108.1 | | |
| 96 | S | 43 | Very low | 39.5 | Very low | 89 Ų | 89 | 133.9 Ų | 133.9 | 62% | 0.622 | 81% | 0.809 | S | S | * | * | | | trans | -148.7 | 128.3 | 170.6 | -148 | 0 | 0 | 0 | 0 | 110.5 | A94 | A94-S96 PolarHBondContact O-N 2.86Å; A94-S96 VanDerWaalsContact O-N 3.08Å |
| 97 | L | 46.3 | Very low | 39.9 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | | | trans | 83.2 | 76.2 | 155 | -62.4 | 154.9 | 0 | 0 | 0 | 117 | A99 | L97-A99 PolarHBondContact O-N 3.26Š|
| 98 | L | 37.9 | Very low | 40.4 | Very low | 171 Ų | 171 | 138 Ų | 138 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | | | | -33.1 | 123.3 | 126.9 | -57.2 | 167.4 | 0 | 0 | 0 | 110.9 | | |
| 99 | A | 40.4 | Very low | 41.2 | Very low | 94 Ų | 94 | 139.8 Ų | 139.8 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | | | trans | 166 | 137 | 132.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L97 | L97-A99 PolarHBondContact O-N 3.26Š|
| 100 | A | 43.1 | Very low | 42.1 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | | | trans | 79.2 | 129.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 101 | G | 37.6 | Very low | 43 | Very low | 78 Ų | 78 | 134.8 Ų | 134.8 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | 129.1 | 98.2 | 144.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 102 | E | 39.8 | Very low | 43.5 | Very low | 198 Ų | 198 | 135.6 Ų | 135.6 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | | | trans | -57.3 | 149.7 | 172 | -62.2 | 163.5 | 122 | 0 | 0 | 113.3 | | |
| 103 | G | 32.3 | Very low | 44.2 | Very low | 83 Ų | 83 | 133.2 Ų | 133.2 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | | | trans | 90.5 | 108.7 | 136.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 104 | G | 33 | Very low | 45.4 | Very low | 78 Ų | 78 | 130.5 Ų | 130.5 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | 119.5 | 142.8 | 151.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 105 | L | 42.9 | Very low | 46.3 | Very low | 145 Ų | 145 | 131 Ų | 131 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | | | trans | 92.8 | 59.2 | 164.6 | -148 | 75 | 0 | 0 | 0 | 117.7 | D107 | L105-D107 VanDerWaalsContact C-N 3.29Å; L105-D107 HydrophobicContact CD1-CB 4.4Å |
| 106 | L | 46 | Very low | 47.3 | Very low | 186 Ų | 186 | 127.3 Ų | 127.3 | 97% | 0.974 | 75% | 0.753 | S | S | * | * | | | trans | -96.9 | 65.1 | 144.4 | -67.9 | -177.2 | 0 | 0 | 0 | 108.4 | | |
| 107 | D | 48.7 | Very low | 48 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | trans | -138.6 | 72 | 171.6 | -173.6 | 49.8 | 0 | 0 | 0 | 106.7 | L105 | L105-D107 VanDerWaalsContact C-N 3.29Å; L105-D107 HydrophobicContact CD1-CB 4.4Å |
| 108 | E | 47 | Very low | 48.6 | Very low | 186 Ų | 186 | 128.5 Ų | 128.5 | 87% | 0.869 | 75% | 0.748 | S | S | * | * | | | trans | 174.5 | 85 | 159.2 | -102.1 | -164.2 | 168.2 | 0 | 0 | 108.4 | | |
| 109 | V | 54.2 | Low | 49.4 | Very low | 141 Ų | 141 | 127 Ų | 127 | 86% | 0.855 | 73% | 0.73 | S | S | * | * | | | trans | -125.1 | 98.1 | 154 | -176.9 | 0 | 0 | 0 | 0 | 106.5 | | |
| 110 | E | 58.2 | Low | 49.9 | Very low | 147 Ų | 147 | 128.4 Ų | 128.4 | 69% | 0.687 | 72% | 0.724 | S | S | * | * | | | trans | -46.7 | 130.4 | 176.6 | -172.7 | 174.1 | 176.2 | 0 | 0 | 111.5 | L112 | E110-L112 PolarHBondContact O-N 2.87Š|
| 111 | P | 56.8 | Low | 50.4 | Low | 112 Ų | 112 | 126.8 Ų | 126.8 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | | | trans | -61.4 | 108.9 | 174.7 | -18.4 | 29.4 | 0 | 0 | 0 | 110 | R113 | P111-R113 PolarHBondContact O-N 3.48Š|
| 112 | L | 49.9 | Very low | 50.8 | Low | 137 Ų | 137 | 125.9 Ų | 125.9 | 72% | 0.717 | 70% | 0.696 | S | S | * | * | | | trans | -51.8 | 125.9 | 173.6 | -76.9 | 151.6 | 0 | 0 | 0 | 109.5 | E110 E116 | E110-L112 PolarHBondContact O-N 2.87Å; L112-E116 WeakPolarHBondContact CD2-OE2 3.34Å |
| 113 | R | 55.5 | Low | 51.1 | Low | 160 Ų | 160 | 125.3 Ų | 125.3 | 60% | 0.604 | 69% | 0.686 | S | S | * | * | | | trans | -58.6 | 145.7 | -172 | -69.5 | -75.9 | 162.7 | 118.5 | -0.8 | 110.9 | P111 D115 E116 | P111-R113 PolarHBondContact O-N 3.48Å; R113-D115 PolarHBondContact O-N 2.98Å; R113-E116 HydrophobicContact CB-CG 4.49Å; R113-E116 PolarHBondContact O-N 3.49Å |
| 114 | P | 60 | Low | 52 | Low | 96 Ų | 96 | 129.3 Ų | 129.3 | 62% | 0.623 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -49.3 | -30.7 | 175.2 | -27 | 34.4 | 0 | 0 | 0 | 113.4 | E116 L117 E118 | P114-E116 VanDerWaalsContact C-N 3.29Å; P114-E116 PolarHBondContact O-N 2.89Å; P114-L117 PolarHBondContact O-N 3.2Å; P114-E118 PolarHBondContact O-N 2.94Å |
| 115 | D | 61.3 | Low | 53.1 | Low | 101 Ų | 101 | 133.3 Ų | 133.3 | 54% | 0.54 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -69.5 | -20.8 | 179.6 | -46.1 | -40 | 0 | 0 | 0 | 113.8 | R113 R119 | R113-D115 PolarHBondContact O-N 2.98Å; D115-R119 VanDerWaalsContact O-CG 3.31Å; D115-R119 WeakPolarHBondContact O-CG 3.48Å; D115-R119 PolarHBondContact O-NH1 3.08Å |
| 116 | E | 60.2 | Low | 53.8 | Low | 74 Ų | 74 | 131.3 Ų | 131.3 | 35% | 0.346 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -85.8 | -33.6 | 173.6 | -51.3 | -142.1 | 122.1 | 0 | 0 | 111.5 | L112 R113 P114 R119 L120 | L112-E116 WeakPolarHBondContact CD2-OE2 3.34Å; R113-E116 HydrophobicContact CB-CG 4.49Å; R113-E116 PolarHBondContact O-N 3.49Å; P114-E116 VanDerWaalsContact C-N 3.29Å; P114-E116 PolarHBondContact O-N 2.89Å; E116-R119 VanDerWaalsContact CD-NH2 3.27Å; E116-R119 VanDerWaalsContact CG-NH2 3.29Å; E116-R119 PolarHBondContact O-N 2.72Å; E116-R119 IonicContact OE1-CZ 3.79Å; E116-R119 IonicContact OE1-NH2 2.72Å; E116-R119 PolarHBondContact OE1-NH2 3.26Å; E116-L120 VanDerWaalsContact O-CG 3.3Å; E116-L120 WeakPolarHBondContact O-CG 3.41Å; E116-L120 PolarHBondContact O-N 3.26Å |
| 117 | L | 56.6 | Low | 54.3 | Low | 126 Ų | 126 | 130.1 Ų | 130.1 | 66% | 0.66 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -69.9 | -35.3 | 175.3 | -165.8 | 63.4 | 0 | 0 | 0 | 111.4 | P114 R119 L120 S121 | P114-L117 PolarHBondContact O-N 3.2Å; L117-R119 VanDerWaalsContact C-N 3.33Å; L117-R119 PolarHBondContact O-N 2.86Å; L117-L120 PolarHBondContact O-N 3.26Å; L117-S121 WeakPolarHBondContact O-CB 3.13Å; L117-S121 PolarHBondContact O-N 3.04Å; L117-S121 PolarHBondContact O-OG 3.37Å |
| 118 | E | 59.5 | Low | 54.7 | Low | 146 Ų | 146 | 130.2 Ų | 130.2 | 68% | 0.682 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -70.6 | -26.4 | 175.1 | -165.2 | 171 | -158.4 | 0 | 0 | 113.1 | P114 S121 | P114-E118 PolarHBondContact O-N 2.94Å; E118-S121 WeakPolarHBondContact CA-OG 3.3Å; E118-S121 PolarHBondContact O-OG 3.11Å |
| 119 | R | 55 | Low | 55.4 | Low | 140 Ų | 140 | 123.5 Ų | 123.5 | 53% | 0.528 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -79 | -21.7 | 172.1 | -68.3 | -176.3 | -37.3 | -105 | 10.7 | 113.1 | D115 E116 L117 W123 | D115-R119 VanDerWaalsContact O-CG 3.31Å; D115-R119 WeakPolarHBondContact O-CG 3.48Å; D115-R119 PolarHBondContact O-NH1 3.08Å; E116-R119 VanDerWaalsContact CD-NH2 3.27Å; E116-R119 VanDerWaalsContact CG-NH2 3.29Å; E116-R119 PolarHBondContact O-N 2.72Å; E116-R119 IonicContact OE1-CZ 3.79Å; E116-R119 IonicContact OE1-NH2 2.72Å; E116-R119 PolarHBondContact OE1-NH2 3.26Å; L117-R119 VanDerWaalsContact C-N 3.33Å; L117-R119 PolarHBondContact O-N 2.86Å; R119-W123 PolarHBondContact O-NE1 3.44Å |
| 120 | L | 50.7 | Low | 56.1 | Low | 123 Ų | 123 | 126.6 Ų | 126.6 | 64% | 0.644 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -93.8 | -26.1 | 178.9 | -68.9 | 170.5 | 0 | 0 | 0 | 112.2 | E116 L117 G122 | E116-L120 VanDerWaalsContact O-CG 3.3Å; E116-L120 WeakPolarHBondContact O-CG 3.41Å; E116-L120 PolarHBondContact O-N 3.26Å; L117-L120 PolarHBondContact O-N 3.26Å; L120-G122 VanDerWaalsContact C-N 3.29Å; L120-G122 PolarHBondContact O-N 3.45Å |
| 121 | S | 53.4 | Low | 56.5 | Low | 73 Ų | 73 | 126.8 Ų | 126.8 | 51% | 0.51 | 63% | 0.628 | S | S | . | * | G | 310 helix | trans | -73.4 | -16.6 | 174.3 | 63 | 0 | 0 | 0 | 0 | 114 | L117 E118 W123 | L117-S121 WeakPolarHBondContact O-CB 3.13Å; L117-S121 PolarHBondContact O-N 3.04Å; L117-S121 PolarHBondContact O-OG 3.37Å; E118-S121 WeakPolarHBondContact CA-OG 3.3Å; E118-S121 PolarHBondContact O-OG 3.11Å; S121-W123 PolarHBondContact O-N 2.76Å |
| 122 | G | 45.5 | Very low | 56.7 | Low | 59 Ų | 59 | 131.3 Ų | 131.3 | 61% | 0.608 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -75.1 | -2.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | L120 | L120-G122 VanDerWaalsContact C-N 3.29Å; L120-G122 PolarHBondContact O-N 3.45Å |
| 123 | W | 45.6 | Very low | 57 | Low | 187 Ų | 187 | 128 Ų | 128 | 71% | 0.708 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -105.1 | -12.3 | -174.5 | -58.4 | 85.1 | 0 | 0 | 0 | 113.9 | R119 S121 | R119-W123 PolarHBondContact O-NE1 3.44Å; S121-W123 PolarHBondContact O-N 2.76Å |
| 124 | E | 52.6 | Low | 56.9 | Low | 166 Ų | 166 | 124.6 Ų | 124.6 | 78% | 0.776 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -94.2 | -11.4 | -173.2 | -150.2 | -179.6 | -157.9 | 0 | 0 | 113.4 | | |
| 125 | E | 55.6 | Low | 57 | Low | 163 Ų | 163 | 125.5 Ų | 125.5 | 76% | 0.762 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -97.5 | -2.5 | -177.7 | -141.5 | 178.6 | -162.6 | 0 | 0 | 113.7 | S129 | E125-S129 PolarHBondContact O-OG 3.43Š|
| 126 | E | 57.8 | Low | 56.5 | Low | 102 Ų | 102 | 128.7 Ų | 128.7 | 48% | 0.477 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -88.1 | -22.9 | -176.4 | -165.6 | 162.6 | -144.2 | 0 | 0 | 113.2 | S129 K138 | E126-S129 PolarHBondContact O-N 2.88Å; E126-K138 IonicContact OE1-NZ 2.87Å; E126-K138 PolarHBondContact OE1-NZ 3.43Å |
| 127 | E | 56.4 | Low | 56.6 | Low | 161 Ų | 161 | 133.4 Ų | 133.4 | 75% | 0.752 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -76.5 | -35.1 | -174.5 | -64.8 | -164.6 | 159.6 | 0 | 0 | 113.3 | | |
| 128 | E | 57.3 | Low | 56.6 | Low | 134 Ų | 134 | 136.1 Ų | 136.1 | 63% | 0.626 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -84 | -12.3 | 173.9 | -68 | 70.2 | -152.9 | 0 | 0 | 113.3 | W130 | E128-W130 VanDerWaalsContact C-N 3.3Å; E128-W130 PolarHBondContact O-N 2.82Å |
| 129 | S | 60.6 | Low | 56.6 | Low | 46 Ų | 46 | 133.1 Ų | 133.1 | 32% | 0.322 | 65% | 0.65 | S | S | . | * | G | 310 helix | trans | -77.5 | -11.2 | -175.5 | -81 | 0 | 0 | 0 | 0 | 113.9 | E125 E126 L131 Y132 S133 | E125-S129 PolarHBondContact O-OG 3.43Å; E126-S129 PolarHBondContact O-N 2.88Å; S129-L131 VanDerWaalsContact C-N 3.29Å; S129-L131 PolarHBondContact O-N 3.35Å; S129-Y132 PolarHBondContact O-N 2.88Å; S129-S133 WeakPolarHBondContact O-CB 3.36Å; S129-S133 PolarHBondContact O-N 2.83Å; S129-S133 PolarHBondContact O-OG 2.86Å |
| 130 | W | 70.3 | Confident | 56.9 | Low | 205 Ų | 205 | 130.1 Ų | 130.1 | 78% | 0.777 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -70.3 | -24.4 | -176.3 | -132.5 | -53.2 | 0 | 0 | 0 | 113.7 | E128 | E128-W130 VanDerWaalsContact C-N 3.3Å; E128-W130 PolarHBondContact O-N 2.82Å |
| 131 | L | 66.6 | Low | 57.4 | Low | 152 Ų | 152 | 129.4 Ų | 129.4 | 80% | 0.796 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -26.4 | -179.7 | -151.5 | 81.2 | 0 | 0 | 0 | 112.9 | S129 | S129-L131 VanDerWaalsContact C-N 3.29Å; S129-L131 PolarHBondContact O-N 3.35Å |
| 132 | Y | 60.6 | Low | 57.7 | Low | 206 Ų | 206 | 133 Ų | 133 | 81% | 0.808 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | -11 | -176.4 | -66.7 | -77.5 | 0 | 0 | 0 | 114 | S129 | S129-Y132 PolarHBondContact O-N 2.88Š|
| 133 | S | 55.1 | Low | 58.6 | Low | 67 Ų | 67 | 135.3 Ų | 135.3 | 47% | 0.469 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -109.1 | 116.5 | 174.4 | -61.9 | 0 | 0 | 0 | 0 | 110.6 | S129 | S129-S133 WeakPolarHBondContact O-CB 3.36Å; S129-S133 PolarHBondContact O-N 2.83Å; S129-S133 PolarHBondContact O-OG 2.86Å |
| 134 | S | 53.8 | Low | 59.4 | Low | 90 Ų | 90 | 133.7 Ų | 133.7 | 63% | 0.629 | 65% | 0.653 | S | S | * | * | | | trans | -54.7 | 131 | 173.4 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | K136 | S134-K136 PolarHBondContact O-N 2.99Å; S134-K136 PolarHBondContact OG-N 3.28Å |
| 135 | P | 61.8 | Low | 60 | Low | 114 Ų | 114 | 130 Ų | 130 | 74% | 0.74 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -59.9 | 1.5 | 175.6 | -26 | 34.8 | 0 | 0 | 0 | 115.1 | | |
| 136 | K | 52.5 | Low | 61 | Low | 168 Ų | 168 | 124.9 Ų | 124.9 | 73% | 0.73 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -117.8 | 109 | -176.7 | -69.8 | -176.4 | 167.3 | 167.7 | 0 | 110.4 | S134 | S134-K136 PolarHBondContact O-N 2.99Å; S134-K136 PolarHBondContact OG-N 3.28Å |
| 137 | K | 60.7 | Low | 62.1 | Low | 173 Ų | 173 | 122.8 Ų | 122.8 | 75% | 0.752 | 62% | 0.622 | S | S | * | * | | | trans | 79.2 | 102.8 | 173.2 | -52.2 | 172 | -178 | 172.8 | 0 | 113.2 | L139 | K137-L139 PolarHBondContact O-N 2.92Š|
| 138 | K | 57.4 | Low | 63.6 | Low | 184 Ų | 184 | 119.9 Ų | 119.9 | 80% | 0.8 | 62% | 0.617 | S | S | * | * | | | trans | -57.2 | 102.1 | 162 | -66.2 | -96.5 | -179.2 | 178.7 | 0 | 106.2 | E126 T140 | E126-K138 IonicContact OE1-NZ 2.87Å; E126-K138 PolarHBondContact OE1-NZ 3.43Å; K138-T140 PolarHBondContact O-N 2.92Å |
| 139 | L | 59.7 | Low | 65.1 | Low | 82 Ų | 82 | 120 Ų | 120 | 43% | 0.429 | 62% | 0.621 | S | S | . | * | | | trans | -55.3 | 129.4 | 177.1 | -97.5 | 70.6 | 0 | 0 | 0 | 108 | K137 Q143 K144 | K137-L139 PolarHBondContact O-N 2.92Å; L139-Q143 HydrophobicContact CB-CB 3.98Å; L139-Q143 HydrophobicContact CD2-CB 3.74Å; L139-Q143 HydrophobicContact CG-CB 3.74Å; L139-K144 HydrophobicContact CB-CG 3.88Å; L139-K144 WeakPolarHBondContact O-CE 3.31Å |
| 140 | T | 61.7 | Low | 66.5 | Low | 78 Ų | 78 | 121.9 Ų | 121.9 | 48% | 0.479 | 63% | 0.631 | S | S | . | * | | | trans | -57.8 | 150.5 | 171 | 50.8 | 0 | 0 | 0 | 0 | 109.1 | K138 M142 Q143 K144 | K138-T140 PolarHBondContact O-N 2.92Å; T140-M142 PolarHBondContact O-N 3.43Å; T140-Q143 PolarHBondContact O-N 2.91Å; T140-K144 PolarHBondContact O-N 3.37Å |
| 141 | P | 61.4 | Low | 67.3 | Low | 108 Ų | 108 | 119.2 Ų | 119.2 | 70% | 0.701 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -51.5 | -29.9 | 179.1 | -26.4 | 33.5 | 0 | 0 | 0 | 113.2 | K144 S145 | P141-K144 PolarHBondContact O-N 2.78Å; P141-S145 PolarHBondContact O-N 3.03Å |
| 142 | M | 59.1 | Low | 68.3 | Low | 147 Ų | 147 | 114.7 Ų | 114.7 | 72% | 0.724 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.9 | -28.8 | 174.8 | -64.9 | -100.3 | 67.7 | 0 | 0 | 114.3 | T140 S145 | T140-M142 PolarHBondContact O-N 3.43Å; M142-S145 PolarHBondContact O-OG 2.98Å |
| 143 | Q | 63.2 | Low | 69.8 | Low | 108 Ų | 108 | 113 Ų | 113 | 51% | 0.505 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -80.1 | -29.1 | 173.5 | -75.1 | -171.7 | -64.8 | 0 | 0 | 112.3 | L139 T140 S145 V146 | L139-Q143 HydrophobicContact CB-CB 3.98Å; L139-Q143 HydrophobicContact CD2-CB 3.74Å; L139-Q143 HydrophobicContact CG-CB 3.74Å; T140-Q143 PolarHBondContact O-N 2.91Å; Q143-S145 VanDerWaalsContact C-N 3.3Å; Q143-S145 PolarHBondContact O-N 3.42Å; Q143-V146 PolarHBondContact O-N 3.43Å |
| 144 | K | 62.8 | Low | 71.3 | Confident | 154 Ų | 154 | 115 Ų | 115 | 67% | 0.67 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.9 | -26 | 179.4 | -60 | -179.2 | 180 | -172 | 0 | 112.9 | L139 T140 P141 | L139-K144 HydrophobicContact CB-CG 3.88Å; L139-K144 WeakPolarHBondContact O-CE 3.31Å; T140-K144 PolarHBondContact O-N 3.37Å; P141-K144 PolarHBondContact O-N 2.78Å |
| 145 | S | 66.1 | Low | 72.9 | Confident | 87 Ų | 87 | 112.7 Ų | 112.7 | 61% | 0.608 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | 1.4 | 179.5 | 59.4 | 0 | 0 | 0 | 0 | 114.4 | P141 M142 Q143 S147 | P141-S145 PolarHBondContact O-N 3.03Å; M142-S145 PolarHBondContact O-OG 2.98Å; Q143-S145 VanDerWaalsContact C-N 3.3Å; Q143-S145 PolarHBondContact O-N 3.42Å; S145-S147 PolarHBondContact O-N 3.38Å |
| 146 | V | 75.8 | Confident | 74 | Confident | 57 Ų | 57 | 113.9 Ų | 113.9 | 35% | 0.345 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -74.2 | 118.7 | 176.7 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | Q143 V150 W151 | Q143-V146 PolarHBondContact O-N 3.43Å; V146-V150 HydrophobicContact CG1-CB 3.93Å; V146-V150 HydrophobicContact CG1-CG1 3.9Å; V146-W151 HydrophobicContact CG1-CB 3.85Å |
| 147 | S | 82 | Confident | 75.8 | Confident | 58 Ų | 58 | 110.5 Ų | 110.5 | 41% | 0.406 | 57% | 0.567 | S | S | . | * | | | trans | -52.4 | 134.3 | 171.8 | 174 | 0 | 0 | 0 | 0 | 110.1 | S145 L149 V150 W151 | S145-S147 PolarHBondContact O-N 3.38Å; S147-L149 PolarHBondContact O-N 3.42Å; S147-V150 WeakPolarHBondContact O-CA 3.2Å; S147-V150 WeakPolarHBondContact O-CB 3.41Å; S147-V150 PolarHBondContact O-N 3.18Å; S147-W151 PolarHBondContact O-N 2.85Å |
| 148 | P | 86.6 | Confident | 77.1 | Confident | 100 Ų | 100 | 110.2 Ų | 110.2 | 65% | 0.649 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -51.9 | -35.7 | -179.4 | -29.5 | 34.9 | 0 | 0 | 0 | 113.6 | W151 C152 | P148-W151 PolarHBondContact O-N 2.85Å; P148-C152 WeakPolarHBondContact O-CB 3.37Å; P148-C152 PolarHBondContact O-N 2.93Å; P148-C152 PolarHBondContact O-SG 3.48Å |
| 149 | L | 90 | Very high | 78.5 | Confident | 136 Ų | 136 | 103.5 Ų | 103.5 | 71% | 0.712 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.6 | -41.1 | 175.2 | -77.8 | 157.5 | 0 | 0 | 0 | 112.6 | S147 R153 | S147-L149 PolarHBondContact O-N 3.42Å; L149-R153 WeakPolarHBondContact O-CG 3.34Å; L149-R153 PolarHBondContact O-N 3.38Å |
| 150 | V | 88.5 | Confident | 79.8 | Confident | 86 Ų | 86 | 102.7 Ų | 102.7 | 52% | 0.521 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.7 | -40.1 | 176.5 | 177 | 0 | 0 | 0 | 0 | 110.1 | V146 S147 R153 Q154 | V146-V150 HydrophobicContact CG1-CB 3.93Å; V146-V150 HydrophobicContact CG1-CG1 3.9Å; S147-V150 WeakPolarHBondContact O-CA 3.2Å; S147-V150 WeakPolarHBondContact O-CB 3.41Å; S147-V150 PolarHBondContact O-N 3.18Å; V150-R153 PolarHBondContact O-N 3.44Å; V150-Q154 WeakPolarHBondContact O-CB 3.49Å; V150-Q154 PolarHBondContact O-N 3.46Å |
| 151 | W | 88.9 | Confident | 81.2 | Confident | 148 Ų | 148 | 103.4 Ų | 103.4 | 56% | 0.561 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62 | -46.4 | 174.2 | -179.7 | 85.4 | 0 | 0 | 0 | 111.7 | V146 S147 P148 R153 Q154 V155 | V146-W151 HydrophobicContact CG1-CB 3.85Å; S147-W151 PolarHBondContact O-N 2.85Å; P148-W151 PolarHBondContact O-N 2.85Å; W151-R153 VanDerWaalsContact C-N 3.35Å; W151-R153 PolarHBondContact O-N 3.47Å; W151-Q154 PolarHBondContact O-N 3.37Å; W151-V155 HydrophobicContact CD2-CG2 4.07Å; W151-V155 HydrophobicContact CG-CG2 4.5Å; W151-V155 HydrophobicContact CH2-CG2 4.43Å; W151-V155 HydrophobicContact CZ2-CG2 3.9Å; W151-V155 WeakPolarHBondContact O-CG2 3.31Å; W151-V155 PolarHBondContact O-N 2.82Å |
| 152 | C | 87.7 | Confident | 82.7 | Confident | 57 Ų | 57 | 103.9 Ų | 103.9 | 39% | 0.385 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 175.9 | -72.4 | 0 | 0 | 0 | 0 | 111.5 | P148 V155 L156 | P148-C152 WeakPolarHBondContact O-CB 3.37Å; P148-C152 PolarHBondContact O-N 2.93Å; P148-C152 PolarHBondContact O-SG 3.48Å; C152-V155 PolarHBondContact O-N 3.13Å; C152-L156 WeakPolarHBondContact O-CB 3.47Å; C152-L156 VanDerWaalsContact O-CG 3.24Å; C152-L156 WeakPolarHBondContact O-CG 3.38Å; C152-L156 PolarHBondContact O-N 3.37Å |
| 153 | R | 90.8 | Very high | 84.2 | Confident | 172 Ų | 172 | 100 Ų | 100 | 65% | 0.649 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.4 | -43.9 | 175.4 | -73.7 | -178.7 | 66.7 | 172.8 | 0.5 | 111.8 | L149 V150 W151 V155 L156 D157 | L149-R153 WeakPolarHBondContact O-CG 3.34Å; L149-R153 PolarHBondContact O-N 3.38Å; V150-R153 PolarHBondContact O-N 3.44Å; W151-R153 VanDerWaalsContact C-N 3.35Å; W151-R153 PolarHBondContact O-N 3.47Å; R153-V155 PolarHBondContact O-N 3.29Å; R153-L156 PolarHBondContact O-N 2.85Å; R153-D157 IonicContact NE-OD2 2.66Å; R153-D157 WeakPolarHBondContact O-CB 3.37Å; R153-D157 PolarHBondContact O-N 3.27Å |
| 154 | Q | 87.3 | Confident | 85.5 | Confident | 107 Ų | 107 | 99 Ų | 99 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 178.2 | -177.4 | 62.2 | 50.1 | 0 | 0 | 112.1 | V150 W151 Y158 | V150-Q154 WeakPolarHBondContact O-CB 3.49Å; V150-Q154 PolarHBondContact O-N 3.46Å; W151-Q154 PolarHBondContact O-N 3.37Å; Q154-Y158 CarbonylContact O-C 3.34Å; Q154-Y158 WeakPolarHBondContact O-CA 3.45Å; Q154-Y158 WeakPolarHBondContact O-CB 3.5Å; Q154-Y158 PolarHBondContact O-N 3.47Å; Q154-Y158 VanDerWaalsContact O-O 3.07Å |
| 155 | V | 86.4 | Confident | 87 | Confident | 43 Ų | 43 | 95.4 Ų | 95.4 | 26% | 0.261 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.6 | -34.6 | -179.1 | 174.5 | 0 | 0 | 0 | 0 | 112.1 | W151 C152 R153 P159 | W151-V155 HydrophobicContact CD2-CG2 4.07Å; W151-V155 HydrophobicContact CG-CG2 4.5Å; W151-V155 HydrophobicContact CH2-CG2 4.43Å; W151-V155 HydrophobicContact CZ2-CG2 3.9Å; W151-V155 WeakPolarHBondContact O-CG2 3.31Å; W151-V155 PolarHBondContact O-N 2.82Å; C152-V155 PolarHBondContact O-N 3.13Å; R153-V155 PolarHBondContact O-N 3.29Å; V155-P159 VanDerWaalsContact O-CA 3.3Å; V155-P159 WeakPolarHBondContact O-CA 3.3Å |
| 156 | L | 85.6 | Confident | 88.3 | Confident | 139 Ų | 139 | 94.1 Ų | 94.1 | 73% | 0.728 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -81.6 | -42 | 179.7 | -68.8 | 174 | 0 | 0 | 0 | 113 | C152 R153 | C152-L156 WeakPolarHBondContact O-CB 3.47Å; C152-L156 VanDerWaalsContact O-CG 3.24Å; C152-L156 WeakPolarHBondContact O-CG 3.38Å; C152-L156 PolarHBondContact O-N 3.37Å; R153-L156 PolarHBondContact O-N 2.85Å |
| 157 | D | 90.4 | Very high | 89.2 | Confident | 97 Ų | 97 | 97 Ų | 97 | 52% | 0.519 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -76.9 | -31.3 | -179.5 | -63.5 | -23.2 | 0 | 0 | 0 | 111 | R153 | R153-D157 IonicContact NE-OD2 2.66Å; R153-D157 WeakPolarHBondContact O-CB 3.37Å; R153-D157 PolarHBondContact O-N 3.27Å |
| 158 | Y | 87.8 | Confident | 89.8 | Confident | 166 Ų | 166 | 101.2 Ų | 101.2 | 65% | 0.651 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -138.2 | 74.4 | -179.1 | -55.9 | -82.1 | 0 | 0 | 0 | 111.3 | Q154 S160 | Q154-Y158 CarbonylContact O-C 3.34Å; Q154-Y158 WeakPolarHBondContact O-CA 3.45Å; Q154-Y158 WeakPolarHBondContact O-CB 3.5Å; Q154-Y158 PolarHBondContact O-N 3.47Å; Q154-Y158 VanDerWaalsContact O-O 3.07Å; Y158-S160 PolarHBondContact O-N 2.83Å |
| 159 | P | 87.2 | Confident | 90.2 | Very high | 43 Ų | 43 | 100.1 Ų | 100.1 | 28% | 0.279 | 52% | 0.522 | S | S | . | . | | | trans | -62.4 | 135 | 179.7 | 27.2 | -35 | 0 | 0 | 0 | 111.2 | V155 V163 E164 | V155-P159 VanDerWaalsContact O-CA 3.3Å; V155-P159 WeakPolarHBondContact O-CA 3.3Å; P159-V163 HydrophobicContact CB-CB 4.37Å; P159-V163 HydrophobicContact CB-CG1 4.2Å; P159-E164 HydrophobicContact CB-CG 3.84Å; P159-E164 HydrophobicContact CG-CG 3.82Å |
| 160 | S | 87.4 | Confident | 90.6 | Very high | 65 Ų | 65 | 98.5 Ų | 98.5 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | | | trans | -63 | 149 | 171.1 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | Y158 D162 V163 E164 | Y158-S160 PolarHBondContact O-N 2.83Å; S160-D162 PolarHBondContact O-N 2.95Å; S160-V163 WeakPolarHBondContact O-CA 3.27Å; S160-V163 WeakPolarHBondContact O-CB 3.43Å; S160-V163 PolarHBondContact O-N 3.33Å; S160-E164 PolarHBondContact O-N 3.3Å |
| 161 | P | 91.1 | Very high | 90.9 | Very high | 94 Ų | 94 | 99.3 Ų | 99.3 | 61% | 0.61 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -51.5 | -33.3 | 175.9 | -28.4 | 35.1 | 0 | 0 | 0 | 113.8 | E164 C165 | P161-E164 PolarHBondContact O-N 3.06Å; P161-C165 VanDerWaalsContact O-CB 3.29Å; P161-C165 WeakPolarHBondContact O-CB 3.34Å; P161-C165 PolarHBondContact O-N 3.45Å; P161-C165 PolarHBondContact O-SG 3.16Å |
| 162 | D | 91.4 | Very high | 91.2 | Very high | 117 Ų | 117 | 97.8 Ų | 97.8 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.9 | -42.5 | 175.2 | -173.8 | 46 | 0 | 0 | 0 | 112.2 | S160 C165 A166 | S160-D162 PolarHBondContact O-N 2.95Å; D162-C165 PolarHBondContact O-N 3.24Å; D162-A166 WeakPolarHBondContact O-CB 3.39Å; D162-A166 PolarHBondContact O-N 3.26Å |
| 163 | V | 90.9 | Very high | 91.6 | Very high | 65 Ų | 65 | 101.6 Ų | 101.6 | 39% | 0.394 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 175.7 | 177.4 | 0 | 0 | 0 | 0 | 110.5 | P159 S160 A166 K167 | P159-V163 HydrophobicContact CB-CB 4.37Å; P159-V163 HydrophobicContact CB-CG1 4.2Å; S160-V163 WeakPolarHBondContact O-CA 3.27Å; S160-V163 WeakPolarHBondContact O-CB 3.43Å; S160-V163 PolarHBondContact O-N 3.33Å; V163-A166 PolarHBondContact O-N 2.99Å; V163-K167 WeakPolarHBondContact O-CB 3.33Å; V163-K167 PolarHBondContact O-N 3.36Å |
| 164 | E | 91.4 | Very high | 91.9 | Very high | 88 Ų | 88 | 98.1 Ų | 98.1 | 41% | 0.411 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 175 | -64 | -162.4 | 142.2 | 0 | 0 | 112.3 | P159 S160 P161 K167 K168 | P159-E164 HydrophobicContact CB-CG 3.84Å; P159-E164 HydrophobicContact CG-CG 3.82Å; S160-E164 PolarHBondContact O-N 3.3Å; P161-E164 PolarHBondContact O-N 3.06Å; E164-K167 PolarHBondContact O-N 3.49Å; E164-K168 WeakPolarHBondContact O-CB 3.43Å; E164-K168 VanDerWaalsContact O-CG 3.28Å; E164-K168 WeakPolarHBondContact O-CG 3.38Å; E164-K168 PolarHBondContact O-N 2.83Å |
| 165 | C | 93.1 | Very high | 92.2 | Very high | 78 Ų | 78 | 97.7 Ų | 97.7 | 53% | 0.527 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 175.1 | -76.4 | 0 | 0 | 0 | 0 | 111.7 | P161 D162 K167 K168 S169 | P161-C165 VanDerWaalsContact O-CB 3.29Å; P161-C165 WeakPolarHBondContact O-CB 3.34Å; P161-C165 PolarHBondContact O-N 3.45Å; P161-C165 PolarHBondContact O-SG 3.16Å; D162-C165 PolarHBondContact O-N 3.24Å; C165-K167 VanDerWaalsContact C-N 3.34Å; C165-K167 PolarHBondContact O-N 3.22Å; C165-K168 PolarHBondContact O-N 3.5Å; C165-S169 VanDerWaalsContact O-CB 3.31Å; C165-S169 WeakPolarHBondContact O-CB 3.38Å; C165-S169 PolarHBondContact O-N 3.38Å |
| 166 | A | 93.8 | Very high | 92.5 | Very high | 60 Ų | 60 | 101.4 Ų | 101.4 | 50% | 0.496 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D162 V163 S169 L170 | D162-A166 WeakPolarHBondContact O-CB 3.39Å; D162-A166 PolarHBondContact O-N 3.26Å; V163-A166 PolarHBondContact O-N 2.99Å; A166-S169 PolarHBondContact O-N 2.97Å; A166-L170 WeakPolarHBondContact O-CB 3.24Å; A166-L170 PolarHBondContact O-N 3.25Å |
| 167 | K | 94 | Very high | 92.8 | Very high | 119 Ų | 119 | 98.1 Ų | 98.1 | 52% | 0.517 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.9 | -48.1 | 174.4 | -173.7 | -175.6 | 74.4 | -178.3 | 0 | 111.6 | V163 E164 C165 L170 I171 | V163-K167 WeakPolarHBondContact O-CB 3.33Å; V163-K167 PolarHBondContact O-N 3.36Å; E164-K167 PolarHBondContact O-N 3.49Å; C165-K167 VanDerWaalsContact C-N 3.34Å; C165-K167 PolarHBondContact O-N 3.22Å; K167-L170 PolarHBondContact O-N 2.88Å; K167-I171 HydrophobicContact CG-CD1 4.06Å; K167-I171 VanDerWaalsContact O-CG1 3.31Å; K167-I171 WeakPolarHBondContact O-CG1 3.43Å; K167-I171 PolarHBondContact O-N 3.45Å |
| 168 | K | 95.2 | Very high | 92.7 | Very high | 146 Ų | 146 | 98.4 Ų | 98.4 | 64% | 0.635 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.6 | -41.7 | 178.9 | -71.9 | 172.4 | 75.5 | 175.1 | 0 | 111.8 | E164 C165 I171 H172 | E164-K168 WeakPolarHBondContact O-CB 3.43Å; E164-K168 VanDerWaalsContact O-CG 3.28Å; E164-K168 WeakPolarHBondContact O-CG 3.38Å; E164-K168 PolarHBondContact O-N 2.83Å; C165-K168 PolarHBondContact O-N 3.5Å; K168-I171 PolarHBondContact O-N 2.7Å; K168-H172 WeakPolarHBondContact O-CB 3.43Å; K168-H172 PolarHBondContact O-N 3.45Å |
| 169 | S | 96.1 | Very high | 92.7 | Very high | 76 Ų | 76 | 93 Ų | 93 | 53% | 0.531 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 176 | -177.1 | 0 | 0 | 0 | 0 | 111.8 | C165 A166 H172 K173 | C165-S169 VanDerWaalsContact O-CB 3.31Å; C165-S169 WeakPolarHBondContact O-CB 3.38Å; C165-S169 PolarHBondContact O-N 3.38Å; A166-S169 PolarHBondContact O-N 2.97Å; S169-H172 PolarHBondContact O-N 2.96Å; S169-K173 WeakPolarHBondContact O-CB 3.15Å; S169-K173 PolarHBondContact O-N 3.06Å |
| 170 | L | 96.5 | Very high | 92.3 | Very high | 103 Ų | 103 | 93.1 Ų | 93.1 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 176.1 | 179.6 | 61.6 | 0 | 0 | 0 | 111.9 | A166 K167 H172 K173 L174 | A166-L170 WeakPolarHBondContact O-CB 3.24Å; A166-L170 PolarHBondContact O-N 3.25Å; K167-L170 PolarHBondContact O-N 2.88Å; L170-H172 VanDerWaalsContact C-N 3.32Å; L170-H172 PolarHBondContact O-N 3.19Å; L170-K173 PolarHBondContact O-N 3.31Å; L170-L174 HydrophobicContact CD1-CD1 4.36Å; L170-L174 HydrophobicContact CD1-CG 4.34Å; L170-L174 HydrophobicContact CG-CD1 4.24Å; L170-L174 WeakPolarHBondContact O-CG 3.44Å; L170-L174 PolarHBondContact O-N 2.88Å |
| 171 | I | 95.1 | Very high | 92.1 | Very high | 102 Ų | 102 | 94 Ų | 94 | 52% | 0.523 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.6 | -44.8 | 175.9 | -68.1 | 165.7 | 0 | 0 | 0 | 110.3 | K167 K168 K173 L174 D175 | K167-I171 HydrophobicContact CG-CD1 4.06Å; K167-I171 VanDerWaalsContact O-CG1 3.31Å; K167-I171 WeakPolarHBondContact O-CG1 3.43Å; K167-I171 PolarHBondContact O-N 3.45Å; K168-I171 PolarHBondContact O-N 2.7Å; I171-K173 PolarHBondContact O-N 3.05Å; I171-L174 PolarHBondContact O-N 3.13Å; I171-D175 WeakPolarHBondContact O-CB 3.34Å; I171-D175 PolarHBondContact O-N 2.82Å |
| 172 | H | 95.9 | Very high | 91.3 | Very high | 117 Ų | 117 | 96.3 Ų | 96.3 | 54% | 0.542 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 177.2 | -178.6 | 68.7 | 0 | 0 | 0 | 112.3 | K168 S169 L170 D175 Q176 | K168-H172 WeakPolarHBondContact O-CB 3.43Å; K168-H172 PolarHBondContact O-N 3.45Å; S169-H172 PolarHBondContact O-N 2.96Å; L170-H172 VanDerWaalsContact C-N 3.32Å; L170-H172 PolarHBondContact O-N 3.19Å; H172-D175 PolarHBondContact O-N 2.85Å; H172-Q176 VanDerWaalsContact O-CB 3.3Å; H172-Q176 WeakPolarHBondContact O-CB 3.46Å; H172-Q176 PolarHBondContact O-N 3.45Å |
| 173 | K | 96.5 | Very high | 90.3 | Very high | 137 Ų | 137 | 99.3 Ų | 99.3 | 60% | 0.596 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64 | -42.6 | 176.7 | -171.4 | 176.4 | 179.2 | -179 | 0 | 111.6 | S169 L170 I171 Q176 T177 | S169-K173 WeakPolarHBondContact O-CB 3.15Å; S169-K173 PolarHBondContact O-N 3.06Å; L170-K173 PolarHBondContact O-N 3.31Å; I171-K173 PolarHBondContact O-N 3.05Å; K173-Q176 PolarHBondContact O-N 3.36Å; K173-T177 WeakPolarHBondContact O-CG2 3.47Å; K173-T177 PolarHBondContact O-N 3.39Å; K173-T177 PolarHBondContact O-OG1 2.93Å |
| 174 | L | 96.6 | Very high | 88.9 | Confident | 99 Ų | 99 | 101.3 Ų | 101.3 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.1 | -38.9 | 176.4 | -71.3 | 174.6 | 0 | 0 | 0 | 112.4 | L170 I171 Q176 T177 M178 | L170-L174 HydrophobicContact CD1-CD1 4.36Å; L170-L174 HydrophobicContact CD1-CG 4.34Å; L170-L174 HydrophobicContact CG-CD1 4.24Å; L170-L174 WeakPolarHBondContact O-CG 3.44Å; L170-L174 PolarHBondContact O-N 2.88Å; I171-L174 PolarHBondContact O-N 3.13Å; L174-Q176 VanDerWaalsContact C-N 3.34Å; L174-T177 WeakPolarHBondContact CA-OG1 3.43Å; L174-T177 PolarHBondContact O-N 3.33Å; L174-T177 PolarHBondContact O-OG1 3.46Å; L174-M178 VanDerWaalsContact O-CB 3.3Å; L174-M178 WeakPolarHBondContact O-CB 3.3Å; L174-M178 WeakPolarHBondContact O-CG 3.39Å; L174-M178 PolarHBondContact O-N 2.95Å |
| 175 | D | 94.6 | Very high | 87.3 | Confident | 98 Ų | 98 | 102.4 Ų | 102.4 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.8 | -38.4 | 175.1 | -173.3 | 58.2 | 0 | 0 | 0 | 111.4 | I171 H172 S179 | I171-D175 WeakPolarHBondContact O-CB 3.34Å; I171-D175 PolarHBondContact O-N 2.82Å; H172-D175 PolarHBondContact O-N 2.85Å; D175-S179 WeakPolarHBondContact O-CB 2.97Å; D175-S179 PolarHBondContact O-N 2.88Å; D175-S179 PolarHBondContact O-OG 3.35Å |
| 176 | Q | 92.5 | Very high | 85.5 | Confident | 120 Ų | 120 | 105.2 Ų | 105.2 | 56% | 0.561 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.1 | -44.6 | 173.6 | -174.8 | 174.2 | 77.6 | 0 | 0 | 111.8 | H172 K173 L174 A180 | H172-Q176 VanDerWaalsContact O-CB 3.3Å; H172-Q176 WeakPolarHBondContact O-CB 3.46Å; H172-Q176 PolarHBondContact O-N 3.45Å; K173-Q176 PolarHBondContact O-N 3.36Å; L174-Q176 VanDerWaalsContact C-N 3.34Å; Q176-A180 VanDerWaalsContact O-CB 3.27Å; Q176-A180 WeakPolarHBondContact O-CB 3.28Å; Q176-A180 PolarHBondContact O-N 3.48Å |
| 177 | T | 91.7 | Very high | 83.8 | Confident | 71 Ų | 71 | 112 Ų | 112 | 44% | 0.436 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69 | -40.9 | 177.4 | 56.5 | 0 | 0 | 0 | 0 | 112 | K173 L174 A180 L181 | K173-T177 WeakPolarHBondContact O-CG2 3.47Å; K173-T177 PolarHBondContact O-N 3.39Å; K173-T177 PolarHBondContact O-OG1 2.93Å; L174-T177 WeakPolarHBondContact CA-OG1 3.43Å; L174-T177 PolarHBondContact O-N 3.33Å; L174-T177 PolarHBondContact O-OG1 3.46Å; T177-A180 PolarHBondContact O-N 2.87Å; T177-L181 VanDerWaalsContact O-CB 3.31Å; T177-L181 WeakPolarHBondContact O-CB 3.44Å; T177-L181 PolarHBondContact O-N 3.31Å |
| 178 | M | 88.5 | Confident | 81.8 | Confident | 103 Ų | 103 | 111.6 Ų | 111.6 | 51% | 0.507 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.1 | -37 | 175.6 | -76.6 | -63.2 | -70.3 | 0 | 0 | 112.3 | L174 L181 K182 | L174-M178 VanDerWaalsContact O-CB 3.3Å; L174-M178 WeakPolarHBondContact O-CB 3.3Å; L174-M178 WeakPolarHBondContact O-CG 3.39Å; L174-M178 PolarHBondContact O-N 2.95Å; M178-L181 PolarHBondContact O-N 2.92Å; M178-K182 WeakPolarHBondContact O-CB 3.31Å; M178-K182 WeakPolarHBondContact O-CG 3.44Å; M178-K182 PolarHBondContact O-N 3.3Å |
| 179 | S | 86.3 | Confident | 79.3 | Confident | 52 Ų | 52 | 109.5 Ų | 109.5 | 36% | 0.364 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.4 | -37.9 | 174 | -67.2 | 0 | 0 | 0 | 0 | 112 | D175 R183 | D175-S179 WeakPolarHBondContact O-CB 2.97Å; D175-S179 PolarHBondContact O-N 2.88Å; D175-S179 PolarHBondContact O-OG 3.35Å; S179-R183 PolarHBondContact O-N 2.96Å |
| 180 | A | 80.7 | Confident | 77 | Confident | 46 Ų | 46 | 110.8 Ų | 110.8 | 38% | 0.38 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.5 | -40.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q176 T177 R183 Q184 | Q176-A180 VanDerWaalsContact O-CB 3.27Å; Q176-A180 WeakPolarHBondContact O-CB 3.28Å; Q176-A180 PolarHBondContact O-N 3.48Å; T177-A180 PolarHBondContact O-N 2.87Å; A180-R183 CarbonylContact O-C 3.59Å; A180-R183 PolarHBondContact O-N 3.48Å; A180-Q184 WeakPolarHBondContact O-CB 3.44Å; A180-Q184 PolarHBondContact O-N 3.13Å |
| 181 | L | 81.9 | Confident | 74.6 | Confident | 84 Ų | 84 | 114.9 Ų | 114.9 | 44% | 0.44 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.4 | -34.2 | 177.3 | -173 | 61.5 | 0 | 0 | 0 | 112.3 | T177 M178 Q184 N185 | T177-L181 VanDerWaalsContact O-CB 3.31Å; T177-L181 WeakPolarHBondContact O-CB 3.44Å; T177-L181 PolarHBondContact O-N 3.31Å; M178-L181 PolarHBondContact O-N 2.92Å; L181-Q184 PolarHBondContact O-N 2.83Å; L181-N185 WeakPolarHBondContact O-CB 3.42Å; L181-N185 PolarHBondContact O-N 3.22Å; L181-N185 PolarHBondContact O-ND2 3.25Å |
| 182 | K | 75.2 | Confident | 72.1 | Confident | 142 Ų | 142 | 116.5 Ų | 116.5 | 62% | 0.617 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.3 | -40.8 | 170.6 | -80 | 178.5 | 176.9 | 174.9 | 0 | 111.8 | M178 N185 L186 | M178-K182 WeakPolarHBondContact O-CB 3.31Å; M178-K182 WeakPolarHBondContact O-CG 3.44Å; M178-K182 PolarHBondContact O-N 3.3Å; K182-N185 PolarHBondContact O-N 2.9Å; K182-L186 WeakPolarHBondContact O-CD1 3.4Å; K182-L186 PolarHBondContact O-N 3.43Å |
| 183 | R | 69.8 | Low | 69.4 | Low | 180 Ų | 180 | 116 Ų | 116 | 68% | 0.679 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.5 | -37.7 | 173.6 | -72.1 | -162.6 | -71.3 | 165.1 | -3.2 | 111.9 | S179 A180 L186 Y187 | S179-R183 PolarHBondContact O-N 2.96Å; A180-R183 CarbonylContact O-C 3.59Å; A180-R183 PolarHBondContact O-N 3.48Å; R183-L186 PolarHBondContact O-N 2.98Å; R183-Y187 WeakPolarHBondContact O-CD2 3.38Å; R183-Y187 PolarHBondContact O-N 3.31Å |
| 184 | Q | 62 | Low | 66.9 | Low | 107 Ų | 107 | 117.2 Ų | 117.2 | 50% | 0.5 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.4 | -40.9 | 172.3 | -101.6 | -167.2 | -22.2 | 0 | 0 | 111.4 | A180 L181 L186 Y187 N188 | A180-Q184 WeakPolarHBondContact O-CB 3.44Å; A180-Q184 PolarHBondContact O-N 3.13Å; L181-Q184 PolarHBondContact O-N 2.83Å; Q184-L186 PolarHBondContact O-N 3.44Å; Q184-L186 VanDerWaalsContact O-N 3.13Å; Q184-Y187 PolarHBondContact O-N 2.89Å; Q184-N188 PolarHBondContact NE2-ND2 3.47Å; Q184-N188 WeakPolarHBondContact O-CA 3.45Å; Q184-N188 VanDerWaalsContact O-CB 3.28Å; Q184-N188 WeakPolarHBondContact O-CB 3.3Å; Q184-N188 PolarHBondContact O-N 3.4Å |
| 185 | N | 57.1 | Low | 64 | Low | 110 Ų | 110 | 118 Ų | 118 | 59% | 0.588 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -61.1 | -25.2 | 176.6 | -91.4 | -75.7 | 0 | 0 | 0 | 113.7 | L181 K182 | L181-N185 WeakPolarHBondContact O-CB 3.42Å; L181-N185 PolarHBondContact O-N 3.22Å; L181-N185 PolarHBondContact O-ND2 3.25Å; K182-N185 PolarHBondContact O-N 2.9Å |
| 186 | L | 56.6 | Low | 61.7 | Low | 137 Ų | 137 | 122.5 Ų | 122.5 | 72% | 0.717 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -84.9 | -21 | 176.3 | -72 | 156.4 | 0 | 0 | 0 | 113.4 | K182 R183 Q184 | K182-L186 WeakPolarHBondContact O-CD1 3.4Å; K182-L186 PolarHBondContact O-N 3.43Å; R183-L186 PolarHBondContact O-N 2.98Å; Q184-L186 PolarHBondContact O-N 3.44Å; Q184-L186 VanDerWaalsContact O-N 3.13Å |
| 187 | Y | 56.2 | Low | 59.4 | Low | 203 Ų | 203 | 122.7 Ų | 122.7 | 80% | 0.796 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -117.2 | -16.1 | -175.8 | -76.3 | -82.9 | 0 | 0 | 0 | 114.7 | R183 Q184 | R183-Y187 WeakPolarHBondContact O-CD2 3.38Å; R183-Y187 PolarHBondContact O-N 3.31Å; Q184-Y187 PolarHBondContact O-N 2.89Å |
| 188 | N | 52.6 | Low | 56.6 | Low | 110 Ų | 110 | 124.9 Ų | 124.9 | 59% | 0.588 | 65% | 0.65 | S | S | * | * | | | trans | -103.9 | 37.3 | 176 | -95.3 | -3.5 | 0 | 0 | 0 | 111.8 | Q184 P190 | Q184-N188 PolarHBondContact NE2-ND2 3.47Å; Q184-N188 WeakPolarHBondContact O-CA 3.45Å; Q184-N188 VanDerWaalsContact O-CB 3.28Å; Q184-N188 WeakPolarHBondContact O-CB 3.3Å; Q184-N188 PolarHBondContact O-N 3.4Å; N188-P190 WeakPolarHBondContact O-CD 2.99Å |
| 189 | N | 42.7 | Very low | 54.6 | Low | 103 Ų | 103 | 124.8 Ų | 124.8 | 55% | 0.551 | 66% | 0.657 | S | S | * | * | | | trans | -102.9 | 81.1 | 166.2 | -148.5 | -19.4 | 0 | 0 | 0 | 109.2 | F191 | N189-F191 PolarHBondContact O-N 3.32Š|
| 190 | P | 48.8 | Very low | 52.5 | Low | 103 Ų | 103 | 133 Ų | 133 | 67% | 0.669 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 4.2 | 177.1 | 31 | -32.5 | 0 | 0 | 0 | 113.3 | N188 | N188-P190 WeakPolarHBondContact O-CD 2.99Š|
| 191 | F | 45.4 | Very low | 50.5 | Low | 188 Ų | 188 | 136.1 Ų | 136.1 | 83% | 0.825 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.4 | 52.5 | -177.3 | -68.3 | -77.2 | 0 | 0 | 0 | 112.9 | N189 | N189-F191 PolarHBondContact O-N 3.32Š|
| 192 | N | 43.2 | Very low | 48.7 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | | | trans | -150.3 | 67.9 | 162.2 | -148.8 | -0.6 | 0 | 0 | 0 | 111.9 | | |
| 193 | S | 38.6 | Very low | 46.9 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | | | trans | -156.4 | 73.3 | 169.2 | 174.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 194 | M | 43.3 | Very low | 45.5 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 80% | 0.803 | 73% | 0.728 | S | S | * | * | | | trans | -149.4 | 52.8 | 165.8 | -130.4 | 70.5 | 141.9 | 0 | 0 | 109.2 | Y196 | M194-Y196 VanDerWaalsContact C-N 3.3Å; M194-Y196 HydrophobicContact CG-CD2 4.11Å; M194-Y196 HydrophobicContact CG-CE2 4.38Å; M194-Y196 PolarHBondContact O-N 3.27Å; M194-Y196 HydrophobicContact SD-CD2 4.47Å; M194-Y196 HydrophobicContact SD-CE2 4.14Å |
| 195 | S | 36.7 | Very low | 44.6 | Very low | 116 Ų | 116 | 133.4 Ų | 133.4 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | | | trans | -84 | 77.5 | 163.8 | -59.4 | 0 | 0 | 0 | 0 | 108.9 | T197 | S195-T197 PolarHBondContact O-N 3.47Š|
| 196 | Y | 46.4 | Very low | 43.5 | Very low | 193 Ų | 193 | 133.8 Ų | 133.8 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | | | trans | -86 | 99.7 | 163.3 | -83.8 | -85.4 | 0 | 0 | 0 | 108.8 | M194 S198 | M194-Y196 VanDerWaalsContact C-N 3.3Å; M194-Y196 HydrophobicContact CG-CD2 4.11Å; M194-Y196 HydrophobicContact CG-CE2 4.38Å; M194-Y196 PolarHBondContact O-N 3.27Å; M194-Y196 HydrophobicContact SD-CD2 4.47Å; M194-Y196 HydrophobicContact SD-CE2 4.14Å; Y196-S198 PolarHBondContact O-N 3.44Å |
| 197 | T | 44.3 | Very low | 43 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 76% | 0.761 | 74% | 0.744 | S | S | * | * | | | trans | 23.9 | 93.1 | 137.8 | 64.7 | 0 | 0 | 0 | 0 | 116.1 | S195 | S195-T197 PolarHBondContact O-N 3.47Š|
| 198 | S | 32.9 | Very low | 42.4 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | | | trans | -109.5 | 114.1 | 154.3 | -174.9 | 0 | 0 | 0 | 0 | 108 | Y196 | Y196-S198 PolarHBondContact O-N 3.44Š|
| 199 | P | 46.7 | Very low | 42 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 66% | 0.656 | 76% | 0.76 | S | S | * | * | | | trans | -102.9 | 71 | -169.2 | 38.7 | -32.1 | 0 | 0 | 0 | 111.6 | | |
| 200 | Y | 40.8 | Very low | 42.1 | Very low | 224 Ų | 224 | 133.8 Ų | 133.8 | 88% | 0.878 | 77% | 0.772 | S | S | * | * | | | trans | -146.1 | 98.2 | 158.5 | -78.2 | -73.2 | 0 | 0 | 0 | 110.3 | | |
| 201 | S | 39.1 | Very low | 41.6 | Very low | 112 Ų | 112 | 132 Ų | 132 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | | | trans | -61.2 | 179.2 | 165.8 | -39.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 202 | P | 44.9 | Very low | 41.4 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | | | cis | -144 | 151.6 | 12.2 | 37.2 | -15.1 | 0 | 0 | 0 | 117.5 | | |
| 203 | N | 36 | Very low | 41.5 | Very low | 149 Ų | 149 | 132 Ų | 132 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | | 31.9 | 114.4 | 127.9 | -167.1 | 24.9 | 0 | 0 | 0 | 119.8 | S205 | N203-S205 PolarHBondContact OD1-N 3.23Š|
| 204 | A | 40.8 | Very low | 41.3 | Very low | 94 Ų | 94 | 131.3 Ų | 131.3 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | | | trans | -138.8 | 83.4 | 146.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 205 | S | 42.7 | Very low | 41.4 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | | | trans | 31.1 | 115.3 | 134.3 | 57.3 | 0 | 0 | 0 | 0 | 119.2 | N203 | N203-S205 PolarHBondContact OD1-N 3.23Š|
| 206 | S | 35.6 | Very low | 41.3 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | | -162.4 | 125 | 122 | -165.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 207 | P | 45.7 | Very low | 41.1 | Very low | 97 Ų | 97 | 125.5 Ų | 125.5 | 63% | 0.63 | 77% | 0.767 | S | S | * | * | | | trans | -91.2 | 169.3 | 176.9 | 36.3 | -30.3 | 0 | 0 | 0 | 112.3 | | |
| 208 | Y | 43.3 | Very low | 40.8 | Very low | 217 Ų | 217 | 125 Ų | 125 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | | | trans | 96.9 | 88.9 | 176.7 | -61.9 | -80.7 | 0 | 0 | 0 | 117.6 | | |
| 209 | S | 44 | Very low | 41.5 | Very low | 126 Ų | 126 | 124.5 Ų | 124.5 | 88% | 0.881 | 76% | 0.759 | S | S | * | * | | | trans | -158.6 | 81.7 | 130.9 | -152.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 210 | S | 44.3 | Very low | 41.4 | Very low | 113 Ų | 113 | 125.9 Ų | 125.9 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | | | trans | -61.8 | 148.5 | 155.5 | 50.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 211 | G | 39.2 | Very low | 41.8 | Very low | 66 Ų | 66 | 126 Ų | 126 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | | | cis | 132.6 | 114.6 | 28.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 212 | F | 41.2 | Very low | 42.7 | Very low | 194 Ų | 194 | 125.9 Ų | 125.9 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | | | trans | -156.7 | 93.3 | 151.7 | -133 | -87.9 | 0 | 0 | 0 | 105.6 | | |
| 213 | N | 44.1 | Very low | 42.8 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | | | | 63.7 | 127.2 | 89.4 | -75.8 | -14.4 | 0 | 0 | 0 | 112.8 | | |
| 214 | S | 35.5 | Very low | 43.1 | Very low | 92 Ų | 92 | 126.5 Ų | 126.5 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | | | cis | -170.5 | 143 | -4.3 | -74.4 | 0 | 0 | 0 | 0 | 107 | | |
| 215 | P | 45.9 | Very low | 43.4 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | | | trans | -86.1 | 109.3 | 157.7 | 31.5 | -24.3 | 0 | 0 | 0 | 108.6 | | |
| 216 | S | 34.2 | Very low | 43.3 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | trans | -94.1 | 94.8 | 172 | 177.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 217 | S | 42.7 | Very low | 43.6 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | -96.7 | 111.3 | 160.7 | -67.3 | 0 | 0 | 0 | 0 | 108.6 | P219 | S217-P219 WeakPolarHBondContact O-CD 3.42Š|
| 218 | T | 38.3 | Very low | 43.4 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | -88.1 | 120.1 | 164 | 41.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 219 | P | 46.6 | Very low | 43.3 | Very low | 106 Ų | 106 | 133.5 Ų | 133.5 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | | | trans | -103.4 | 101.7 | 145.3 | 29.9 | -22.8 | 0 | 0 | 0 | 106.7 | S217 R221 | S217-P219 WeakPolarHBondContact O-CD 3.42Å; P219-R221 PolarHBondContact O-N 3.43Å |
| 220 | V | 44.6 | Very low | 43.4 | Very low | 129 Ų | 129 | 134.8 Ų | 134.8 | 78% | 0.782 | 76% | 0.763 | S | S | * | * | | | trans | -65.9 | 101.1 | 169.6 | -172.8 | 0 | 0 | 0 | 0 | 106.7 | | |
| 221 | R | 48.9 | Very low | 43.8 | Very low | 226 Ų | 226 | 135 Ų | 135 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 126.6 | 164.3 | -64.5 | -172.3 | -168.1 | 175.2 | 3.9 | 107.6 | P219 | P219-R221 PolarHBondContact O-N 3.43Š|
| 222 | P | 57.5 | Low | 43.7 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 150.8 | 169.3 | 30.9 | -31.1 | 0 | 0 | 0 | 109.9 | | |
| 223 | P | 48.5 | Very low | 43.6 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 145.3 | 176.7 | 31.6 | -32 | 0 | 0 | 0 | 110.9 | V225 | P223-V225 PolarHBondContact O-N 3.36Š|
| 224 | I | 41.6 | Very low | 43.5 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 127.8 | 169.6 | -83.7 | 161.8 | 0 | 0 | 0 | 111.3 | | |
| 225 | V | 46.9 | Very low | 43.7 | Very low | 137 Ų | 137 | 132 Ų | 132 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | | | trans | -135.2 | 129 | 156.3 | -147.5 | 0 | 0 | 0 | 0 | 108.1 | P223 | P223-V225 PolarHBondContact O-N 3.36Š|
| 226 | K | 40.8 | Very low | 43.5 | Very low | 193 Ų | 193 | 132.8 Ų | 132.8 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | | | trans | -71.7 | 131.2 | -173.2 | -56.3 | 163.3 | 178.1 | 175.9 | 0 | 110.7 | | |
| 227 | Q | 42.3 | Very low | 43.8 | Very low | 170 Ų | 170 | 134.6 Ų | 134.6 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | | | trans | -169.9 | 130.2 | 143.4 | -130.1 | 165.5 | -10.1 | 0 | 0 | 112.1 | | |
| 228 | L | 40.9 | Very low | 43.7 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 71% | 0.712 | 78% | 0.775 | S | S | * | * | | | trans | 44.8 | 141.9 | 142.4 | -94.2 | 54.6 | 0 | 0 | 0 | 119.1 | | |
| 229 | I | 42.3 | Very low | 43.6 | Very low | 133 Ų | 133 | 138 Ų | 138 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | | | cis | 164.7 | 145 | -5.7 | -128.9 | 142 | 0 | 0 | 0 | 103.7 | | |
| 230 | L | 45.2 | Very low | 43.5 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | | | trans | 84.7 | 149.8 | 157.8 | -90.1 | 72.4 | 0 | 0 | 0 | 121.6 | | |
| 231 | P | 52.3 | Low | 43.2 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | | -139.6 | -178.6 | -127.5 | 32.9 | -6.5 | 0 | 0 | 0 | 115.2 | | |
| 232 | G | 38.5 | Very low | 43.1 | Very low | 78 Ų | 78 | 138.2 Ų | 138.2 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | 67 | 119.5 | 136.1 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 233 | N | 39 | Very low | 42.2 | Very low | 162 Ų | 162 | 140 Ų | 140 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | | | trans | -152.4 | 152.9 | 138.3 | -160 | 34.8 | 0 | 0 | 0 | 111.5 | | |
| 234 | S | 41.2 | Very low | 41.9 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -118 | 167.7 | -147.4 | 40.5 | 0 | 0 | 0 | 0 | 116.4 | | |
| 235 | G | 40 | Very low | 42.3 | Very low | 67 Ų | 67 | 138.1 Ų | 138.1 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | | | trans | 125.9 | 134.7 | 158.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 236 | N | 41.1 | Very low | 42.2 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | cis | -158.4 | 129.3 | 17.1 | -82.9 | -2.3 | 0 | 0 | 0 | 108.1 | | |
| 237 | L | 41.5 | Very low | 42.2 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | | | | 75.4 | 118.4 | 93.9 | -62.8 | 176.4 | 0 | 0 | 0 | 119.3 | | |
| 238 | K | 40.5 | Very low | 42.5 | Very low | 193 Ų | 193 | 133 Ų | 133 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | | | trans | 75.7 | 140.9 | 146.2 | -66.6 | 177 | 173.6 | -176.3 | 0 | 117.8 | | |
| 239 | S | 36 | Very low | 42.5 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | cis | 177.4 | 151 | -1.5 | 38.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 240 | S | 43.1 | Very low | 42.8 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | | | trans | 64.9 | 121.1 | 162 | -82.2 | 0 | 0 | 0 | 0 | 119.6 | | |
| 241 | D | 39.4 | Very low | 42.9 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | | | | 101.1 | 127 | 55.8 | -81.8 | -53.2 | 0 | 0 | 0 | 111.7 | | |
| 242 | R | 46.2 | Very low | 42.9 | Very low | 221 Ų | 221 | 133.4 Ų | 133.4 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | | | trans | 102.7 | 114.5 | 158.3 | -59.1 | -158.1 | 169.2 | -151.2 | -2.9 | 120.4 | | |
| 243 | N | 39 | Very low | 43.4 | Very low | 147 Ų | 147 | 136 Ų | 136 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | | | trans | 95.1 | 117.8 | 145.6 | -60.5 | -36.8 | 0 | 0 | 0 | 120.1 | | |
| 244 | P | 42.4 | Very low | 44.3 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | | | | -132.1 | -177.9 | 129.8 | 39.1 | -26.8 | 0 | 0 | 0 | 111.1 | | |
| 245 | P | 49.5 | Very low | 44.8 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | | | | -120 | 153.2 | -55 | 36.1 | -21.8 | 0 | 0 | 0 | 112.3 | | |
| 246 | L | 44.4 | Very low | 45.4 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | | | trans | -144.2 | 107.6 | 168 | -66.4 | 173.4 | 0 | 0 | 0 | 107.3 | | |
| 247 | S | 42.3 | Very low | 45.8 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | | 86.7 | 151.6 | 85.5 | -91.1 | 0 | 0 | 0 | 0 | 114 | | |
| 248 | P | 47.1 | Very low | 45.8 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | | -127.3 | -165.2 | -120.4 | 38.6 | -20.7 | 0 | 0 | 0 | 114.4 | | |
| 249 | Q | 41.8 | Very low | 46.4 | Very low | 187 Ų | 187 | 131.7 Ų | 131.7 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | | | trans | 96.5 | 106.2 | 162 | -54 | -150.1 | -64.7 | 0 | 0 | 118.5 | | |
| 250 | S | 47.5 | Very low | 47.1 | Very low | 112 Ų | 112 | 135.7 Ų | 135.7 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | | | | -173.4 | 142.7 | 124 | 61.1 | 0 | 0 | 0 | 0 | 107.7 | | |
| 251 | S | 47.5 | Very low | 48.3 | Very low | 99 Ų | 99 | 136.9 Ų | 136.9 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | | | cis | 176.2 | 127.7 | -8.1 | -82.5 | 0 | 0 | 0 | 0 | 103 | | |
| 252 | I | 53.5 | Low | 49 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | trans | 45.1 | 117.1 | 144.9 | 151.3 | 152.2 | 0 | 0 | 0 | 118.4 | | |
| 253 | D | 48.1 | Very low | 49.6 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | | -179.3 | 144.2 | 93 | -157.7 | 33.7 | 0 | 0 | 0 | 115 | | |
| 254 | S | 57.5 | Low | 50.3 | Low | 86 Ų | 86 | 132.7 Ų | 132.7 | 60% | 0.601 | 76% | 0.763 | S | S | * | * | | | trans | 73.9 | 84.4 | 152.5 | -72.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 255 | E | 52.6 | Low | 50.8 | Low | 190 Ų | 190 | 131.3 Ų | 131.3 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | | | trans | -65.7 | 111.2 | 144.2 | -57.7 | -170.4 | 98.9 | 0 | 0 | 110.5 | | |
| 256 | L | 53.6 | Low | 51 | Low | 158 Ų | 158 | 132.5 Ų | 132.5 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | | | trans | -147.6 | 110.6 | 156.6 | -73.2 | -177.8 | 0 | 0 | 0 | 110.7 | | |
| 257 | S | 48.1 | Very low | 51.7 | Low | 109 Ų | 109 | 127.2 Ų | 127.2 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | | | trans | 36.7 | 87.9 | 150.3 | -67 | 0 | 0 | 0 | 0 | 118.1 | S259 | S257-S259 PolarHBondContact O-N 3.23Š|
| 258 | A | 41.4 | Very low | 52.7 | Low | 112 Ų | 112 | 127.5 Ų | 127.5 | 93% | 0.926 | 74% | 0.743 | S | S | * | * | | | trans | -67.3 | 79.6 | 140.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 259 | S | 53.1 | Low | 53.7 | Low | 79 Ų | 79 | 129.2 Ų | 129.2 | 55% | 0.552 | 75% | 0.746 | S | S | * | * | | | trans | -86.8 | 111.9 | 166.6 | 77 | 0 | 0 | 0 | 0 | 109.2 | S257 | S257-S259 PolarHBondContact O-N 3.23Š|
| 260 | E | 51.6 | Low | 55.3 | Low | 188 Ų | 188 | 126.3 Ų | 126.3 | 88% | 0.879 | 73% | 0.728 | S | S | * | * | | | trans | -9.8 | 120.2 | 149.9 | -62.5 | 174.9 | 100.1 | 0 | 0 | 114.5 | | |
| 261 | L | 66.7 | Low | 57.1 | Low | 127 Ų | 127 | 129.5 Ų | 129.5 | 67% | 0.665 | 73% | 0.728 | S | S | * | * | | | trans | -138.7 | 95.9 | 151.7 | -94.5 | 167.4 | 0 | 0 | 0 | 106.2 | | |
| 262 | D | 55 | Low | 59.1 | Low | 118 Ų | 118 | 128.8 Ų | 128.8 | 63% | 0.631 | 72% | 0.716 | S | S | * | * | | | trans | 58.2 | 71.2 | 149.8 | -56.7 | -62.2 | 0 | 0 | 0 | 118.5 | D264 | D262-D264 PolarHBondContact O-N 3.48Å; D262-D264 VanDerWaalsContact O-N 3.14Å |
| 263 | E | 58.8 | Low | 60.8 | Low | 182 Ų | 182 | 128.2 Ų | 128.2 | 85% | 0.85 | 71% | 0.714 | S | S | * | * | | | trans | -78.1 | 60.4 | 148.4 | -74.1 | -84 | 123.4 | 0 | 0 | 109.5 | S265 | E263-S265 PolarHBondContact O-N 3.29Š|
| 264 | D | 53 | Low | 62.9 | Low | 125 Ų | 125 | 125.7 Ų | 125.7 | 67% | 0.668 | 70% | 0.7 | S | S | * | * | | | trans | -71 | 46.8 | 163.2 | -96.3 | -25.9 | 0 | 0 | 0 | 110.1 | D262 I266 | D262-D264 PolarHBondContact O-N 3.48Å; D262-D264 VanDerWaalsContact O-N 3.14Å; D264-I266 WeakPolarHBondContact O-CG1 3.4Å; D264-I266 PolarHBondContact O-N 2.76Å |
| 265 | S | 53.7 | Low | 64.7 | Low | 94 Ų | 94 | 126.2 Ų | 126.2 | 66% | 0.657 | 70% | 0.7 | S | S | * | * | | | trans | -69.4 | 86.6 | 167.6 | -141 | 0 | 0 | 0 | 0 | 106.6 | E263 G267 | E263-S265 PolarHBondContact O-N 3.29Å; S265-G267 PolarHBondContact O-N 2.8Å |
| 266 | I | 53.3 | Low | 66.7 | Low | 140 Ų | 140 | 120.4 Ų | 120.4 | 72% | 0.718 | 68% | 0.677 | S | S | * | * | | | trans | -62.8 | 21.6 | 169.2 | -61.6 | 142.1 | 0 | 0 | 0 | 110.6 | D264 | D264-I266 WeakPolarHBondContact O-CG1 3.4Å; D264-I266 PolarHBondContact O-N 2.76Å |
| 267 | G | 60.3 | Low | 68.8 | Low | 56 Ų | 56 | 113.9 Ų | 113.9 | 58% | 0.577 | 64% | 0.644 | S | S | * | * | | | trans | -103.3 | 25.3 | -152.2 | 0 | 0 | 0 | 0 | 0 | 117 | S265 | S265-G267 PolarHBondContact O-N 2.8Š|
| 268 | S | 61.9 | Low | 71 | Confident | 119 Ų | 119 | 112.2 Ų | 112.2 | 83% | 0.832 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -151.7 | -2.7 | 172.3 | -102.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 269 | N | 68.4 | Low | 73.6 | Confident | 149 Ų | 149 | 112 Ų | 112 | 80% | 0.797 | 61% | 0.608 | S | S | * | * | | | trans | -131.7 | 9.3 | -175.6 | 44.2 | -73.2 | 0 | 0 | 0 | 114.9 | K271 | N269-K271 PolarHBondContact O-N 2.8Š|
| 270 | Y | 74.5 | Confident | 75.6 | Confident | 125 Ų | 125 | 112.4 Ų | 112.4 | 49% | 0.49 | 60% | 0.603 | S | S | . | * | | | trans | -81.2 | 104.6 | 168.4 | -167.2 | -105.3 | 0 | 0 | 0 | 110.3 | L272 D277 L281 | Y270-L272 HydrophobicContact CD1-CD2 4.21Å; Y270-L272 HydrophobicContact CE1-CD2 4.02Å; Y270-D277 HydrophobicContact CE1-CB 3.99Å; Y270-D277 PolarHBondContact OH-OD1 2.95Å; Y270-L281 HydrophobicContact CD1-CD1 4.4Å |
| 271 | K | 85.4 | Confident | 77.7 | Confident | 180 Ų | 180 | 106.4 Ų | 106.4 | 78% | 0.783 | 58% | 0.577 | S | S | * | * | | | trans | -88.3 | 109.6 | 178.3 | -170.5 | 177.2 | 174.5 | -170.3 | 0 | 108.6 | N269 N273 | N269-K271 PolarHBondContact O-N 2.8Å; K271-N273 PolarHBondContact O-N 2.78Å |
| 272 | L | 90.3 | Very high | 79.1 | Confident | 84 Ų | 84 | 102.9 Ų | 102.9 | 44% | 0.44 | 57% | 0.566 | S | S | . | * | | | trans | -54.6 | 102.8 | 173 | -67 | 174.6 | 0 | 0 | 0 | 109.8 | Y270 D277 V278 L281 | Y270-L272 HydrophobicContact CD1-CD2 4.21Å; Y270-L272 HydrophobicContact CE1-CD2 4.02Å; L272-D277 HydrophobicContact CB-CB 4.48Å; L272-D277 HydrophobicContact CD2-CB 3.49Å; L272-D277 VanDerWaalsContact CD2-CB 3.49Å; L272-V278 HydrophobicContact CB-CG2 4.41Å; L272-V278 HydrophobicContact CD1-CG2 4.13Å; L272-V278 HydrophobicContact CD2-CG2 4.37Å; L272-L281 HydrophobicContact CD1-CD1 4.23Å; L272-L281 HydrophobicContact CD2-CD1 3.48Å; L272-L281 VanDerWaalsContact CD2-CD1 3.48Å; L272-L281 HydrophobicContact CD2-CG 4.07Å; L272-L281 HydrophobicContact CG-CD1 4.14Å |
| 273 | N | 88.5 | Confident | 81.1 | Confident | 139 Ų | 139 | 105 Ų | 105 | 74% | 0.743 | 57% | 0.565 | S | S | * | * | | | trans | -92 | -31.1 | -171.1 | -170.8 | 62.5 | 0 | 0 | 0 | 111.7 | K271 D277 | K271-N273 PolarHBondContact O-N 2.78Å; N273-D277 WeakPolarHBondContact CB-OD2 3.46Å; N273-D277 PolarHBondContact N-OD2 3.32Å |
| 274 | D | 93.1 | Very high | 82.8 | Confident | 79 Ų | 79 | 101.4 Ų | 101.4 | 42% | 0.422 | 55% | 0.55 | S | S | . | . | S | Bend | trans | -142.2 | -179.6 | 177.1 | 64.8 | 28.8 | 0 | 0 | 0 | 112.7 | T276 D277 V278 | D274-T276 PolarHBondContact O-N 3.47Å; D274-T276 VanDerWaalsContact OD1-CA 3.3Å; D274-T276 WeakPolarHBondContact OD1-CA 3.19Å; D274-T276 WeakPolarHBondContact OD1-CB 3.3Å; D274-T276 PolarHBondContact OD1-N 2.85Å; D274-D277 PolarHBondContact O-N 3.42Å; D274-D277 PolarHBondContact OD1-N 2.91Å; D274-V278 PolarHBondContact O-N 3.35Å |
| 275 | V | 94.9 | Very high | 84.8 | Confident | 97 Ų | 97 | 102.5 Ų | 102.5 | 59% | 0.588 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.2 | -21.7 | 178 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | V278 Q279 | V275-V278 PolarHBondContact O-N 2.99Å; V275-Q279 VanDerWaalsContact O-CG 3.23Å; V275-Q279 WeakPolarHBondContact O-CG 3.19Å; V275-Q279 PolarHBondContact O-N 3.49Å |
| 276 | T | 96.1 | Very high | 86.7 | Confident | 68 Ų | 68 | 103.2 Ų | 103.2 | 42% | 0.417 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.5 | -42.3 | 178.1 | -62.1 | 0 | 0 | 0 | 0 | 110.1 | D274 V278 Q279 I280 | D274-T276 PolarHBondContact O-N 3.47Å; D274-T276 VanDerWaalsContact OD1-CA 3.3Å; D274-T276 WeakPolarHBondContact OD1-CA 3.19Å; D274-T276 WeakPolarHBondContact OD1-CB 3.3Å; D274-T276 PolarHBondContact OD1-N 2.85Å; T276-V278 VanDerWaalsContact C-N 3.28Å; T276-V278 PolarHBondContact O-N 3.11Å; T276-Q279 WeakPolarHBondContact O-CB 3.23Å; T276-Q279 PolarHBondContact O-N 3.37Å; T276-Q279 VanDerWaalsContact O-N 3.11Å; T276-I280 HydrophobicContact CG2-CD1 3.91Å; T276-I280 HydrophobicContact CG2-CG1 4.41Å; T276-I280 VanDerWaalsContact O-CG1 3.31Å; T276-I280 WeakPolarHBondContact O-CG1 3.49Å; T276-I280 PolarHBondContact O-N 3.46Å |
| 277 | D | 95.9 | Very high | 88.7 | Confident | 22 Ų | 22 | 102.4 Ų | 102.4 | 12% | 0.118 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -59.2 | -42 | 174.2 | -63.7 | -16.9 | 0 | 0 | 0 | 111.4 | Y270 L272 N273 D274 I280 L281 | Y270-D277 HydrophobicContact CE1-CB 3.99Å; Y270-D277 PolarHBondContact OH-OD1 2.95Å; L272-D277 HydrophobicContact CB-CB 4.48Å; L272-D277 HydrophobicContact CD2-CB 3.49Å; L272-D277 VanDerWaalsContact CD2-CB 3.49Å; N273-D277 WeakPolarHBondContact CB-OD2 3.46Å; N273-D277 PolarHBondContact N-OD2 3.32Å; D274-D277 PolarHBondContact O-N 3.42Å; D274-D277 PolarHBondContact OD1-N 2.91Å; D277-I280 PolarHBondContact O-N 2.97Å; D277-L281 PolarHBondContact O-N 2.89Å |
| 278 | V | 95.6 | Very high | 90.2 | Very high | 73 Ų | 73 | 102.4 Ų | 102.4 | 44% | 0.442 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.1 | -44.3 | 175.3 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | L272 D274 V275 T276 I280 A282 | L272-V278 HydrophobicContact CB-CG2 4.41Å; L272-V278 HydrophobicContact CD1-CG2 4.13Å; L272-V278 HydrophobicContact CD2-CG2 4.37Å; D274-V278 PolarHBondContact O-N 3.35Å; V275-V278 PolarHBondContact O-N 2.99Å; T276-V278 VanDerWaalsContact C-N 3.28Å; T276-V278 PolarHBondContact O-N 3.11Å; V278-I280 VanDerWaalsContact C-N 3.35Å; V278-A282 WeakPolarHBondContact O-CB 3.34Å; V278-A282 PolarHBondContact O-N 2.87Å |
| 279 | Q | 96.2 | Very high | 91.7 | Very high | 108 Ų | 108 | 100.8 Ų | 100.8 | 51% | 0.505 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.7 | -36.5 | 178 | -74.3 | 171 | 9.9 | 0 | 0 | 112.4 | V275 T276 R283 | V275-Q279 VanDerWaalsContact O-CG 3.23Å; V275-Q279 WeakPolarHBondContact O-CG 3.19Å; V275-Q279 PolarHBondContact O-N 3.49Å; T276-Q279 WeakPolarHBondContact O-CB 3.23Å; T276-Q279 PolarHBondContact O-N 3.37Å; T276-Q279 VanDerWaalsContact O-N 3.11Å; Q279-R283 VanDerWaalsContact O-CB 3.24Å; Q279-R283 WeakPolarHBondContact O-CB 3.13Å; Q279-R283 PolarHBondContact O-N 3.33Å |
| 280 | I | 94.8 | Very high | 92.9 | Very high | 87 Ų | 87 | 101.3 Ų | 101.3 | 45% | 0.446 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.3 | -48.8 | 177.1 | -69.1 | 166.7 | 0 | 0 | 0 | 109.9 | T276 D277 V278 A282 R283 M284 | T276-I280 HydrophobicContact CG2-CD1 3.91Å; T276-I280 HydrophobicContact CG2-CG1 4.41Å; T276-I280 VanDerWaalsContact O-CG1 3.31Å; T276-I280 WeakPolarHBondContact O-CG1 3.49Å; T276-I280 PolarHBondContact O-N 3.46Å; D277-I280 PolarHBondContact O-N 2.97Å; V278-I280 VanDerWaalsContact C-N 3.35Å; I280-A282 PolarHBondContact O-N 3.45Å; I280-R283 PolarHBondContact O-N 3.46Å; I280-M284 WeakPolarHBondContact O-CB 3.36Å; I280-M284 PolarHBondContact O-N 2.87Å |
| 281 | L | 95.6 | Very high | 93.6 | Very high | 63 Ų | 63 | 101.8 Ų | 101.8 | 33% | 0.33 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 176.6 | -72.9 | -170.4 | 0 | 0 | 0 | 112.1 | Y270 L272 D277 R283 M284 Q285 | Y270-L281 HydrophobicContact CD1-CD1 4.4Å; L272-L281 HydrophobicContact CD1-CD1 4.23Å; L272-L281 HydrophobicContact CD2-CD1 3.48Å; L272-L281 VanDerWaalsContact CD2-CD1 3.48Å; L272-L281 HydrophobicContact CD2-CG 4.07Å; L272-L281 HydrophobicContact CG-CD1 4.14Å; D277-L281 PolarHBondContact O-N 2.89Å; L281-R283 VanDerWaalsContact C-N 3.34Å; L281-R283 PolarHBondContact O-N 3.3Å; L281-M284 HydrophobicContact CD2-CE 3.56Å; L281-M284 PolarHBondContact O-N 3.47Å; L281-Q285 WeakPolarHBondContact O-CB 3.3Å; L281-Q285 PolarHBondContact O-N 3.09Å |
| 282 | A | 95.4 | Very high | 93.6 | Very high | 52 Ų | 52 | 98.7 Ų | 98.7 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V278 I280 Q285 E286 | V278-A282 WeakPolarHBondContact O-CB 3.34Å; V278-A282 PolarHBondContact O-N 2.87Å; I280-A282 PolarHBondContact O-N 3.45Å; A282-Q285 PolarHBondContact O-N 3Å; A282-E286 WeakPolarHBondContact O-CB 3.28Å; A282-E286 PolarHBondContact O-N 3.06Å |
| 283 | R | 96.6 | Very high | 93.2 | Very high | 162 Ų | 162 | 102.1 Ų | 102.1 | 61% | 0.611 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.5 | -44.8 | 174.9 | -177 | -174.8 | -60.5 | 169 | 3.8 | 111.5 | Q279 I280 L281 Q285 E286 E287 | Q279-R283 VanDerWaalsContact O-CB 3.24Å; Q279-R283 WeakPolarHBondContact O-CB 3.13Å; Q279-R283 PolarHBondContact O-N 3.33Å; I280-R283 PolarHBondContact O-N 3.46Å; L281-R283 VanDerWaalsContact C-N 3.34Å; L281-R283 PolarHBondContact O-N 3.3Å; R283-Q285 VanDerWaalsContact C-N 3.3Å; R283-Q285 PolarHBondContact O-N 3.14Å; R283-E286 PolarHBondContact O-N 3.48Å; R283-E287 VanDerWaalsContact O-CB 3.27Å; R283-E287 WeakPolarHBondContact O-CB 3.31Å; R283-E287 PolarHBondContact O-N 3.18Å |
| 284 | M | 95.6 | Very high | 92.7 | Very high | 107 Ų | 107 | 98.1 Ų | 98.1 | 53% | 0.527 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 178.6 | -175 | -179.4 | 73.6 | 0 | 0 | 111.4 | I280 L281 S288 | I280-M284 WeakPolarHBondContact O-CB 3.36Å; I280-M284 PolarHBondContact O-N 2.87Å; L281-M284 HydrophobicContact CD2-CE 3.56Å; L281-M284 PolarHBondContact O-N 3.47Å; M284-S288 PolarHBondContact O-N 3.37Å; M284-S288 PolarHBondContact O-OG 3.31Å |
| 285 | Q | 95.1 | Very high | 91.8 | Very high | 148 Ų | 148 | 96.5 Ų | 96.5 | 69% | 0.692 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.4 | -41.2 | 175.4 | -171.7 | 175.5 | -6.1 | 0 | 0 | 111.9 | L281 A282 R283 L289 | L281-Q285 WeakPolarHBondContact O-CB 3.3Å; L281-Q285 PolarHBondContact O-N 3.09Å; A282-Q285 PolarHBondContact O-N 3Å; R283-Q285 VanDerWaalsContact C-N 3.3Å; R283-Q285 PolarHBondContact O-N 3.14Å; Q285-L289 PolarHBondContact O-N 2.93Å |
| 286 | E | 94.5 | Very high | 90.4 | Very high | 109 Ų | 109 | 96 Ų | 96 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66 | -38.3 | 174.6 | -176.1 | 177 | -157.4 | 0 | 0 | 112.2 | A282 R283 L289 R290 | A282-E286 WeakPolarHBondContact O-CB 3.28Å; A282-E286 PolarHBondContact O-N 3.06Å; R283-E286 PolarHBondContact O-N 3.48Å; E286-L289 PolarHBondContact O-N 3.5Å; E286-R290 VanDerWaalsContact CD-NH1 3.29Å; E286-R290 VanDerWaalsContact CG-NH1 3.33Å; E286-R290 WeakPolarHBondContact O-CB 2.98Å; E286-R290 WeakPolarHBondContact O-CG 3.35Å; E286-R290 PolarHBondContact O-N 2.85Å; E286-R290 IonicContact OE1-CZ 3.98Å; E286-R290 IonicContact OE1-NH1 3.79Å; E286-R290 PolarHBondContact OE1-NH1 2.94Å |
| 287 | E | 93.6 | Very high | 88.6 | Confident | 124 Ų | 124 | 97.7 Ų | 97.7 | 58% | 0.579 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.3 | -43.4 | 176 | -179.2 | 168.3 | -164.7 | 0 | 0 | 111.3 | R283 R290 Q291 | R283-E287 VanDerWaalsContact O-CB 3.27Å; R283-E287 WeakPolarHBondContact O-CB 3.31Å; R283-E287 PolarHBondContact O-N 3.18Å; E287-R290 PolarHBondContact O-N 3.19Å; E287-Q291 WeakPolarHBondContact O-CB 3.27Å; E287-Q291 PolarHBondContact O-N 2.78Å |
| 288 | S | 92.6 | Very high | 86.7 | Confident | 55 Ų | 55 | 99.9 Ų | 99.9 | 39% | 0.385 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57 | -52 | 172.2 | -72.4 | 0 | 0 | 0 | 0 | 110.9 | M284 R290 Q291 E292 | M284-S288 PolarHBondContact O-N 3.37Å; M284-S288 PolarHBondContact O-OG 3.31Å; S288-R290 VanDerWaalsContact C-N 3.32Å; S288-R290 PolarHBondContact O-N 2.87Å; S288-Q291 WeakPolarHBondContact O-CA 3.48Å; S288-Q291 WeakPolarHBondContact O-CB 3.24Å; S288-Q291 PolarHBondContact O-N 3.27Å; S288-E292 VanDerWaalsContact O-CG 3.28Å; S288-E292 WeakPolarHBondContact O-CG 3.4Å; S288-E292 PolarHBondContact O-N 2.91Å |
| 289 | L | 93.8 | Very high | 84.6 | Confident | 85 Ų | 85 | 105.8 Ų | 105.8 | 45% | 0.445 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 179.9 | -174.1 | 64.7 | 0 | 0 | 0 | 112 | Q285 E286 Q291 E292 Y293 | Q285-L289 PolarHBondContact O-N 2.93Å; E286-L289 PolarHBondContact O-N 3.5Å; L289-Q291 VanDerWaalsContact C-N 3.34Å; L289-Q291 PolarHBondContact O-N 2.91Å; L289-E292 WeakPolarHBondContact CA-OE1 3.33Å; L289-E292 WeakPolarHBondContact O-CB 3.47Å; L289-E292 PolarHBondContact O-N 3.32Å; L289-Y293 HydrophobicContact CD1-CD2 4.41Å; L289-Y293 HydrophobicContact CD1-CE2 3.89Å; L289-Y293 HydrophobicContact CD2-CE2 4.26Å; L289-Y293 HydrophobicContact CG-CD2 4.11Å; L289-Y293 HydrophobicContact CG-CE2 3.75Å; L289-Y293 WeakPolarHBondContact O-CD2 3.41Å; L289-Y293 PolarHBondContact O-N 3.49Å |
| 290 | R | 93.3 | Very high | 82.6 | Confident | 160 Ų | 160 | 111.9 Ų | 111.9 | 60% | 0.604 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.6 | -38.6 | 174.7 | -82.3 | -171.6 | 149.4 | 77.9 | -1.8 | 112.7 | E286 E287 S288 E292 Y293 A294 | E286-R290 VanDerWaalsContact CD-NH1 3.29Å; E286-R290 VanDerWaalsContact CG-NH1 3.33Å; E286-R290 WeakPolarHBondContact O-CB 2.98Å; E286-R290 WeakPolarHBondContact O-CG 3.35Å; E286-R290 PolarHBondContact O-N 2.85Å; E286-R290 IonicContact OE1-CZ 3.98Å; E286-R290 IonicContact OE1-NH1 3.79Å; E286-R290 PolarHBondContact OE1-NH1 2.94Å; E287-R290 PolarHBondContact O-N 3.19Å; S288-R290 VanDerWaalsContact C-N 3.32Å; S288-R290 PolarHBondContact O-N 2.87Å; R290-E292 VanDerWaalsContact C-N 3.33Å; R290-Y293 PolarHBondContact O-N 2.84Å; R290-A294 PolarHBondContact O-N 3.31Å |
| 291 | Q | 89.6 | Confident | 80.5 | Confident | 135 Ų | 135 | 112.4 Ų | 112.4 | 63% | 0.631 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.6 | -37.9 | 177.1 | -163 | 171.8 | 34.5 | 0 | 0 | 111 | E287 S288 L289 A294 A295 | E287-Q291 WeakPolarHBondContact O-CB 3.27Å; E287-Q291 PolarHBondContact O-N 2.78Å; S288-Q291 WeakPolarHBondContact O-CA 3.48Å; S288-Q291 WeakPolarHBondContact O-CB 3.24Å; S288-Q291 PolarHBondContact O-N 3.27Å; L289-Q291 VanDerWaalsContact C-N 3.34Å; L289-Q291 PolarHBondContact O-N 2.91Å; Q291-A294 PolarHBondContact O-N 3.31Å; Q291-A295 VanDerWaalsContact O-CB 3.25Å; Q291-A295 WeakPolarHBondContact O-CB 3.21Å; Q291-A295 PolarHBondContact O-N 3.06Å |
| 292 | E | 85.1 | Confident | 78 | Confident | 115 Ų | 115 | 113.3 Ų | 113.3 | 54% | 0.537 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.6 | -43.1 | 173.2 | -63.1 | 170.2 | -114.7 | 0 | 0 | 111.8 | S288 L289 R290 A295 T296 | S288-E292 VanDerWaalsContact O-CG 3.28Å; S288-E292 WeakPolarHBondContact O-CG 3.4Å; S288-E292 PolarHBondContact O-N 2.91Å; L289-E292 WeakPolarHBondContact CA-OE1 3.33Å; L289-E292 WeakPolarHBondContact O-CB 3.47Å; L289-E292 PolarHBondContact O-N 3.32Å; R290-E292 VanDerWaalsContact C-N 3.33Å; E292-A295 PolarHBondContact O-N 3.04Å; E292-T296 WeakPolarHBondContact O-CB 3.37Å; E292-T296 VanDerWaalsContact O-CG2 3.26Å; E292-T296 WeakPolarHBondContact O-CG2 3.26Å; E292-T296 PolarHBondContact O-N 3.14Å; E292-T296 PolarHBondContact O-OG1 3.34Å |
| 293 | Y | 81.7 | Confident | 75.2 | Confident | 156 Ų | 156 | 114.8 Ų | 114.8 | 61% | 0.612 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.1 | -41.8 | 173.1 | -79.8 | -69 | 0 | 0 | 0 | 112.6 | L289 R290 T296 T297 | L289-Y293 HydrophobicContact CD1-CD2 4.41Å; L289-Y293 HydrophobicContact CD1-CE2 3.89Å; L289-Y293 HydrophobicContact CD2-CE2 4.26Å; L289-Y293 HydrophobicContact CG-CD2 4.11Å; L289-Y293 HydrophobicContact CG-CE2 3.75Å; L289-Y293 WeakPolarHBondContact O-CD2 3.41Å; L289-Y293 PolarHBondContact O-N 3.49Å; R290-Y293 PolarHBondContact O-N 2.84Å; Y293-T296 WeakPolarHBondContact CA-OG1 3.41Å; Y293-T296 PolarHBondContact O-N 3.11Å; Y293-T296 PolarHBondContact O-OG1 2.8Å; Y293-T297 WeakPolarHBondContact O-CB 3.49Å; Y293-T297 WeakPolarHBondContact O-CG2 3.41Å; Y293-T297 PolarHBondContact O-N 3.47Å |
| 294 | A | 78.9 | Confident | 73 | Confident | 56 Ų | 56 | 111.6 Ų | 111.6 | 46% | 0.463 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.4 | -40.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | R290 Q291 T296 T297 S298 | R290-A294 PolarHBondContact O-N 3.31Å; Q291-A294 PolarHBondContact O-N 3.31Å; A294-T296 VanDerWaalsContact C-N 3.34Å; A294-T297 WeakPolarHBondContact O-CG2 3.33Å; A294-S298 WeakPolarHBondContact O-CB 3.25Å; A294-S298 PolarHBondContact O-N 2.91Å |
| 295 | A | 73.4 | Confident | 70.7 | Confident | 44 Ų | 44 | 111.8 Ų | 111.8 | 36% | 0.364 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -70 | -30 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q291 E292 R299 | Q291-A295 VanDerWaalsContact O-CB 3.25Å; Q291-A295 WeakPolarHBondContact O-CB 3.21Å; Q291-A295 PolarHBondContact O-N 3.06Å; E292-A295 PolarHBondContact O-N 3.04Å; A295-R299 WeakPolarHBondContact O-CD 3.5Å; A295-R299 WeakPolarHBondContact O-CG 3.32Å; A295-R299 PolarHBondContact O-NE 2.95Å |
| 296 | T | 64.6 | Low | 68.1 | Low | 87 Ų | 87 | 110.9 Ų | 110.9 | 53% | 0.534 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -83 | -34.9 | 178 | 50.1 | 0 | 0 | 0 | 0 | 112.7 | E292 Y293 A294 | E292-T296 WeakPolarHBondContact O-CB 3.37Å; E292-T296 VanDerWaalsContact O-CG2 3.26Å; E292-T296 WeakPolarHBondContact O-CG2 3.26Å; E292-T296 PolarHBondContact O-N 3.14Å; E292-T296 PolarHBondContact O-OG1 3.34Å; Y293-T296 WeakPolarHBondContact CA-OG1 3.41Å; Y293-T296 PolarHBondContact O-N 3.11Å; Y293-T296 PolarHBondContact O-OG1 2.8Å; A294-T296 VanDerWaalsContact C-N 3.34Å |
| 297 | T | 59.3 | Low | 65.8 | Low | 104 Ų | 104 | 113.3 Ų | 113.3 | 64% | 0.638 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -73.4 | -32.6 | 173.7 | -166.1 | 0 | 0 | 0 | 0 | 112.6 | Y293 A294 R299 | Y293-T297 WeakPolarHBondContact O-CB 3.49Å; Y293-T297 WeakPolarHBondContact O-CG2 3.41Å; Y293-T297 PolarHBondContact O-N 3.47Å; A294-T297 WeakPolarHBondContact O-CG2 3.33Å; T297-R299 PolarHBondContact O-N 3.03Å |
| 298 | S | 54.6 | Low | 63.5 | Low | 67 Ų | 67 | 112.6 Ų | 112.6 | 47% | 0.469 | 64% | 0.636 | S | S | . | * | G | 310 helix | trans | -70.6 | -16.5 | 177.3 | -169 | 0 | 0 | 0 | 0 | 113.8 | A294 R300 S301 | A294-S298 WeakPolarHBondContact O-CB 3.25Å; A294-S298 PolarHBondContact O-N 2.91Å; S298-R300 VanDerWaalsContact C-N 3.28Å; S298-R300 PolarHBondContact O-N 3.43Å; S298-S301 PolarHBondContact O-N 3.4Å |
| 299 | R | 53.3 | Low | 61.3 | Low | 198 Ų | 198 | 115.1 Ų | 115.1 | 75% | 0.747 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -79.8 | -1.4 | -178.1 | -78.9 | 171.8 | -167.3 | -112.9 | 4.7 | 114.6 | A295 T297 | A295-R299 WeakPolarHBondContact O-CD 3.5Å; A295-R299 WeakPolarHBondContact O-CG 3.32Å; A295-R299 PolarHBondContact O-NE 2.95Å; T297-R299 PolarHBondContact O-N 3.03Å |
| 300 | R | 54 | Low | 59.2 | Low | 236 Ų | 236 | 120.2 Ų | 120.2 | 89% | 0.891 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -91.5 | -0.4 | 170.8 | -66.8 | -176.4 | 72.4 | -134.2 | 3.1 | 114 | S298 | S298-R300 VanDerWaalsContact C-N 3.28Å; S298-R300 PolarHBondContact O-N 3.43Å |
| 301 | S | 50.5 | Low | 57.1 | Low | 98 Ų | 98 | 124.2 Ų | 124.2 | 69% | 0.685 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.7 | 4.6 | -177.8 | 41.4 | 0 | 0 | 0 | 0 | 116.3 | S298 | S298-S301 PolarHBondContact O-N 3.4Š|
| 302 | S | 43 | Very low | 55.1 | Low | 81 Ų | 81 | 121 Ų | 121 | 57% | 0.566 | 68% | 0.681 | S | S | * | * | | | trans | -154.1 | 93.1 | 169.1 | -67.7 | 0 | 0 | 0 | 0 | 111.5 | S304 | S302-S304 PolarHBondContact O-N 3.31Š|
| 303 | G | 37.3 | Very low | 53.2 | Low | 83 Ų | 83 | 121.2 Ų | 121.2 | 86% | 0.856 | 69% | 0.69 | S | S | * | * | | | trans | -72.1 | 104.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 304 | S | 50.1 | Low | 51.8 | Low | 95 Ų | 95 | 123.3 Ų | 123.3 | 66% | 0.664 | 70% | 0.703 | S | S | * | * | | | trans | 170.6 | 102.4 | 159 | 43.6 | 0 | 0 | 0 | 0 | 107.7 | S302 | S302-S304 PolarHBondContact O-N 3.31Š|
| 305 | S | 46.8 | Very low | 50.4 | Low | 111 Ų | 111 | 126.5 Ų | 126.5 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | | | | 87.5 | 90.2 | 101.4 | 73.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 306 | C | 40.5 | Very low | 49.2 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 88% | 0.878 | 74% | 0.744 | S | S | * | * | | | trans | -168.3 | 68.6 | 148.2 | 50.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 307 | N | 46.5 | Very low | 48.4 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | | | trans | -126.2 | 81.3 | 147.1 | 58.7 | -18.4 | 0 | 0 | 0 | 107.2 | | |
| 308 | S | 44.7 | Very low | 48.2 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | | | trans | -65.6 | 138.1 | 173.2 | -172.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 309 | T | 46.5 | Very low | 48.1 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 66% | 0.656 | 78% | 0.784 | S | S | * | * | | | trans | 88.3 | 83.5 | 163.4 | -32.5 | 0 | 0 | 0 | 0 | 116.1 | | |
| 310 | R | 50.5 | Low | 48.1 | Very low | 192 Ų | 192 | 140.3 Ų | 140.3 | 73% | 0.725 | 78% | 0.78 | S | S | * | * | | | | -179.1 | 129.8 | 106.8 | -91.9 | 169.6 | -164.5 | -95.9 | 4 | 111.3 | | |
| 311 | R | 48.6 | Very low | 47.6 | Very low | 244 Ų | 244 | 133.5 Ų | 133.5 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | | | trans | -46.2 | 134.5 | 169.4 | -87.8 | 167.9 | 167.4 | -124.3 | -2.3 | 112.1 | | |
| 312 | G | 47.3 | Very low | 47.3 | Very low | 67 Ų | 67 | 136.5 Ų | 136.5 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | | | trans | -152.3 | 99.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108 | F314 | G312-F314 PolarHBondContact O-N 2.97Š|
| 313 | T | 45.7 | Very low | 47.6 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | trans | -74.5 | 112.8 | -177.4 | 47.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 314 | F | 52.3 | Low | 48.5 | Very low | 200 Ų | 200 | 140.4 Ų | 140.4 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | | | trans | -134.1 | 112.2 | 156.3 | -65.8 | -79 | 0 | 0 | 0 | 107.9 | G312 | G312-F314 PolarHBondContact O-N 2.97Š|
| 315 | S | 49.2 | Very low | 48.5 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | 26.9 | 101.1 | 164.3 | -65 | 0 | 0 | 0 | 0 | 119.3 | | |
| 316 | D | 48.6 | Very low | 49 | Very low | 156 Ų | 156 | 144 Ų | 144 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | | | trans | -58.9 | 154 | 137.3 | -179.8 | 22.6 | 0 | 0 | 0 | 110.2 | | |
| 317 | Q | 46.3 | Very low | 49.7 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | | | trans | 96 | 67.4 | 166.2 | -157.2 | 170.3 | 75.3 | 0 | 0 | 119.7 | | |
| 318 | E | 56 | Low | 49.9 | Very low | 178 Ų | 178 | 144.6 Ų | 144.6 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | trans | 163.6 | 114.2 | 149.1 | 54.6 | -162.8 | 129.8 | 0 | 0 | 106.8 | | |
| 319 | L | 53.4 | Low | 50.1 | Low | 163 Ų | 163 | 146.6 Ų | 146.6 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | | | cis | -150.7 | 114 | 47.1 | -71 | 164.5 | 0 | 0 | 0 | 108.1 | A321 | L319-A321 PolarHBondContact O-N 2.99Š|
| 320 | D | 52 | Low | 49.8 | Very low | 125 Ų | 125 | 148.4 Ų | 148.4 | 67% | 0.668 | 78% | 0.78 | S | S | * | * | | | trans | -37 | 114.6 | 157.4 | -170.5 | 43.7 | 0 | 0 | 0 | 111.7 | Q322 | D320-Q322 VanDerWaalsContact C-N 3.29Å; D320-Q322 PolarHBondContact O-N 3.07Å; D320-Q322 PolarHBondContact OD2-NE2 3.37Å |
| 321 | A | 44.2 | Very low | 49.5 | Very low | 93 Ų | 93 | 146.4 Ų | 146.4 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 8.4 | 61.6 | 133.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | L319 | L319-A321 PolarHBondContact O-N 2.99Š|
| 322 | Q | 44.5 | Very low | 49.1 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | | | trans | -144.7 | 143.8 | 166.1 | -61.4 | -160.7 | 31.7 | 0 | 0 | 111.8 | D320 | D320-Q322 VanDerWaalsContact C-N 3.29Å; D320-Q322 PolarHBondContact O-N 3.07Å; D320-Q322 PolarHBondContact OD2-NE2 3.37Å |
| 323 | S | 48.9 | Very low | 49 | Very low | 109 Ų | 109 | 146.4 Ų | 146.4 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | trans | 86.4 | 72.8 | 168.3 | -145.2 | 0 | 0 | 0 | 0 | 117.5 | D325 | S323-D325 PolarHBondContact O-N 2.82Š|
| 324 | L | 55.3 | Low | 48.6 | Very low | 137 Ų | 137 | 145 Ų | 145 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | | | | 16 | 104.2 | 117.6 | -162.5 | 88.2 | 0 | 0 | 0 | 114.8 | D326 | L324-D326 VanDerWaalsContact C-N 3.33Å; L324-D326 HydrophobicContact CD2-CB 4.1Å; L324-D326 WeakPolarHBondContact CD2-OD2 3.14Å; L324-D326 HydrophobicContact CG-CB 4.48Å; L324-D326 PolarHBondContact O-N 2.66Å |
| 325 | D | 51.1 | Low | 48.2 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 93% | 0.93 | 76% | 0.763 | S | S | * | * | | | trans | -66.9 | 92.4 | 160.8 | -71 | -70.3 | 0 | 0 | 0 | 108.4 | S323 | S323-D325 PolarHBondContact O-N 2.82Š|
| 326 | D | 56.1 | Low | 47.8 | Very low | 106 Ų | 106 | 145.2 Ų | 145.2 | 57% | 0.567 | 76% | 0.763 | S | S | * | * | | | trans | -104.9 | 111.5 | 168.4 | -121.3 | -119.3 | 0 | 0 | 0 | 108.1 | L324 | L324-D326 VanDerWaalsContact C-N 3.33Å; L324-D326 HydrophobicContact CD2-CB 4.1Å; L324-D326 WeakPolarHBondContact CD2-OD2 3.14Å; L324-D326 HydrophobicContact CG-CB 4.48Å; L324-D326 PolarHBondContact O-N 2.66Å |
| 327 | E | 55.2 | Low | 47.5 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | | | trans | 83.5 | 138.3 | 135.6 | -27.9 | -127.2 | 101.8 | 0 | 0 | 120.6 | | |
| 328 | D | 51.7 | Low | 47.1 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | | | trans | -57.7 | 172.7 | -179.2 | -52.8 | -94.7 | 0 | 0 | 0 | 115.4 | | |
| 329 | D | 49.1 | Very low | 46.5 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | trans | 72.4 | 99.5 | 167.9 | -59 | -58.5 | 0 | 0 | 0 | 116.6 | | |
| 330 | N | 40.7 | Very low | 45.9 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | | | | -177.2 | 123 | 95.1 | -136 | 83.8 | 0 | 0 | 0 | 111.8 | | |
| 331 | M | 43.1 | Very low | 45.3 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 74% | 0.739 | 76% | 0.757 | S | S | * | * | | | trans | -42.3 | 147.6 | 156.2 | -145.5 | 89.9 | 78.7 | 0 | 0 | 112 | | |
| 332 | H | 41.2 | Very low | 45.1 | Very low | 138 Ų | 138 | 145 Ų | 145 | 64% | 0.639 | 76% | 0.76 | S | S | * | * | | | trans | 125.1 | 103.2 | 146.7 | -61.1 | -59.8 | 0 | 0 | 0 | 118.2 | | |
| 333 | H | 45.3 | Very low | 44.9 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | | | | 70 | 117.1 | 126.6 | -59.5 | -56 | 0 | 0 | 0 | 120.9 | | |
| 334 | A | 37.1 | Very low | 44.8 | Very low | 89 Ų | 89 | 142.9 Ų | 142.9 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | | | trans | -56.5 | 155.2 | 156.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 335 | V | 43.1 | Very low | 44.2 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | | | trans | 82.2 | 114.4 | 161.3 | -156.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 336 | Y | 40 | Very low | 43.8 | Very low | 217 Ų | 217 | 139.1 Ų | 139.1 | 85% | 0.851 | 76% | 0.757 | S | S | * | * | | | trans | 147.2 | 122.5 | 132.2 | -79.8 | -67.7 | 0 | 0 | 0 | 111.4 | | |
| 337 | P | 43.2 | Very low | 43.4 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | | | trans | -93.3 | 149.4 | 168.2 | 35.1 | -27.5 | 0 | 0 | 0 | 111.6 | | |
| 338 | A | 36.8 | Very low | 42.7 | Very low | 88 Ų | 88 | 145.7 Ų | 145.7 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | 103.6 | 126.3 | 146.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 339 | V | 45 | Very low | 42.1 | Very low | 136 Ų | 136 | 143.9 Ų | 143.9 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | trans | 87 | 131.5 | 148.6 | -48.6 | 0 | 0 | 0 | 0 | 121.7 | | |
| 340 | N | 39.6 | Very low | 41.9 | Very low | 139 Ų | 139 | 141.8 Ų | 141.8 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | trans | 97.2 | 89.1 | 155.8 | -81.9 | 22.7 | 0 | 0 | 0 | 120.8 | | |
| 341 | R | 40 | Very low | 41.8 | Very low | 202 Ų | 202 | 146.1 Ų | 146.1 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | | 37 | 113.9 | 118.1 | -61.9 | -178 | -165.9 | -160.9 | 2.2 | 117 | | |
| 342 | F | 40.6 | Very low | 41.9 | Very low | 192 Ų | 192 | 143.5 Ų | 143.5 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | | | | 158.7 | 112.2 | 111.6 | -82.1 | -69.5 | 0 | 0 | 0 | 109.5 | | |
| 343 | S | 40.8 | Very low | 42.1 | Very low | 112 Ų | 112 | 142.7 Ų | 142.7 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | trans | -70.6 | 152.3 | 166.2 | 48.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 344 | P | 45.8 | Very low | 41.9 | Very low | 113 Ų | 113 | 139.5 Ų | 139.5 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | | -153.3 | 132.4 | 95.7 | 35.4 | -15.3 | 0 | 0 | 0 | 115.1 | | |
| 345 | S | 43.1 | Very low | 42.5 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | | 94.8 | 129.2 | 103 | -70.7 | 0 | 0 | 0 | 0 | 116.7 | | |
| 346 | P | 42.5 | Very low | 42.5 | Very low | 116 Ų | 116 | 148 Ų | 148 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | | | trans | -100.9 | 156.3 | 178.5 | 38.3 | -31.2 | 0 | 0 | 0 | 112.8 | | |
| 347 | R | 47.4 | Very low | 42.6 | Very low | 241 Ų | 241 | 142.9 Ų | 142.9 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | | | trans | 146.7 | 117.6 | 147.9 | -81.9 | 165.2 | 96.7 | -153.4 | 4.6 | 111.5 | | |
| 348 | N | 39.8 | Very low | 42.6 | Very low | 167 Ų | 167 | 143 Ų | 143 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | | | | -157.9 | 144 | 128.1 | -132.4 | 27.4 | 0 | 0 | 0 | 111.3 | | |
| 349 | S | 40.6 | Very low | 42.8 | Very low | 100 Ų | 100 | 149.7 Ų | 149.7 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | | | trans | -107 | -153.8 | -160.3 | 51 | 0 | 0 | 0 | 0 | 111.6 | | |
| 350 | P | 43.5 | Very low | 42.6 | Very low | 109 Ų | 109 | 150.8 Ų | 150.8 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | | | | -135.8 | 151.5 | -75.5 | 37.5 | -19.5 | 0 | 0 | 0 | 116 | | |
| 351 | R | 39.3 | Very low | 42.5 | Very low | 236 Ų | 236 | 149.1 Ų | 149.1 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | | | trans | 51.1 | 177.6 | 146.5 | -103.7 | -173.5 | 169.3 | -119.7 | -0.4 | 120.6 | | |
| 352 | P | 45 | Very low | 43.1 | Very low | 94 Ų | 94 | 145.7 Ų | 145.7 | 61% | 0.61 | 80% | 0.798 | S | S | * | * | | | cis | -132.8 | 167.2 | -33.1 | 34.3 | -17.3 | 0 | 0 | 0 | 113.5 | | |
| 353 | S | 45.1 | Very low | 42.9 | Very low | 122 Ų | 122 | 147.2 Ų | 147.2 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | -175.9 | 153.4 | 135.4 | -84.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 354 | P | 41.2 | Very low | 42.8 | Very low | 106 Ų | 106 | 146.6 Ų | 146.6 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | | | trans | -117.6 | 178.5 | -159.2 | 39.1 | -23.2 | 0 | 0 | 0 | 114.9 | | |
| 355 | K | 49.7 | Very low | 43 | Very low | 192 Ų | 192 | 152.6 Ų | 152.6 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | | | trans | 108.2 | 127.2 | 173.6 | -60.9 | 166.2 | -175.7 | -174.1 | 0 | 110.7 | | |
| 356 | Q | 43.7 | Very low | 42.7 | Very low | 187 Ų | 187 | 153 Ų | 153 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | | | cis | -163 | 131 | 30 | -130.8 | 151.4 | -30.5 | 0 | 0 | 108.4 | | |
| 357 | S | 41.1 | Very low | 42.9 | Very low | 109 Ų | 109 | 152.8 Ų | 152.8 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | | | trans | -91 | 158.7 | 163.6 | -57.2 | 0 | 0 | 0 | 0 | 110 | | |
| 358 | P | 44.9 | Very low | 42.5 | Very low | 125 Ų | 125 | 146.1 Ų | 146.1 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | | | | -143 | 122.5 | 97.3 | 16.5 | 6.1 | 0 | 0 | 0 | 112.8 | | |
| 359 | R | 40.9 | Very low | 42.7 | Very low | 228 Ų | 228 | 150.4 Ų | 150.4 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | | | | 52.3 | 96.5 | 72.7 | -161.5 | 172.1 | 164.4 | 140.6 | -2.2 | 113.2 | | |
| 360 | N | 40.8 | Very low | 42.9 | Very low | 160 Ų | 160 | 148.9 Ų | 148.9 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | | | trans | -168.3 | 101.8 | 138 | -98.8 | -23.4 | 0 | 0 | 0 | 113.2 | | |
| 361 | S | 35.9 | Very low | 43 | Very low | 104 Ų | 104 | 150.4 Ų | 150.4 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -82.2 | 142.4 | 154.8 | 168 | 0 | 0 | 0 | 0 | 108.9 | R363 | S361-R363 PolarHBondContact OG-N 3.43Š|
| 362 | P | 52.9 | Low | 43.4 | Very low | 130 Ų | 130 | 148.4 Ų | 148.4 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | | | trans | -107.2 | 86.4 | 158.7 | 31 | -18.4 | 0 | 0 | 0 | 110.3 | | |
| 363 | R | 38 | Very low | 42.9 | Very low | 223 Ų | 223 | 153.1 Ų | 153.1 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | | | trans | -69.5 | 127.3 | 150.4 | -174.1 | 167.9 | 179.6 | 131.4 | -4.1 | 107.8 | S361 | S361-R363 PolarHBondContact OG-N 3.43Š|
| 364 | S | 38.5 | Very low | 42.6 | Very low | 100 Ų | 100 | 152 Ų | 152 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | | | trans | 52.6 | 108.3 | 161.1 | 56.9 | 0 | 0 | 0 | 0 | 118.3 | | |
| 365 | R | 49.3 | Very low | 42.8 | Very low | 238 Ų | 238 | 157.8 Ų | 157.8 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | | | trans | -163.6 | 111.7 | 148.7 | -104.6 | 164.7 | -159.7 | -82.9 | 1.6 | 110.3 | | |
| 366 | S | 36.2 | Very low | 42.6 | Very low | 126 Ų | 126 | 155.2 Ų | 155.2 | 88% | 0.881 | 81% | 0.813 | S | S | * | * | | | trans | -75.3 | 136 | 156.9 | -50.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 367 | P | 46.4 | Very low | 42.5 | Very low | 111 Ų | 111 | 151.8 Ų | 151.8 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | | | trans | -142.6 | 124.9 | 140.4 | 8.4 | 15.5 | 0 | 0 | 0 | 112.4 | | |
| 368 | A | 40.4 | Very low | 42.6 | Very low | 101 Ų | 101 | 152.3 Ų | 152.3 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | | | | 83.1 | 121.4 | 88 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 369 | R | 42.6 | Very low | 42.4 | Very low | 257 Ų | 257 | 154.3 Ų | 154.3 | 97% | 0.97 | 81% | 0.808 | S | S | * | * | | | trans | -61.8 | 147.4 | 173.2 | -82.6 | 177.6 | 163.4 | 130.9 | -6 | 112.3 | | |
| 370 | G | 45.5 | Very low | 42.7 | Very low | 69 Ų | 69 | 149 Ų | 149 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | | | trans | 171 | 92.6 | 160 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 371 | I | 45.7 | Very low | 42.7 | Very low | 140 Ų | 140 | 149.2 Ų | 149.2 | 72% | 0.718 | 80% | 0.802 | S | S | * | * | | | | 66.2 | 104.1 | 92.1 | -136.4 | 147.4 | 0 | 0 | 0 | 112.6 | Y373 | I371-Y373 HydrophobicContact CD1-CE2 4.46Å; I371-Y373 HydrophobicContact CG1-CE2 3.85Å |
| 372 | E | 47.6 | Very low | 43.5 | Very low | 194 Ų | 194 | 152.4 Ų | 152.4 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | | | trans | -162.3 | 146 | 139.8 | 38.8 | -162.1 | 166.3 | 0 | 0 | 112.5 | | |
| 373 | Y | 34.7 | Very low | 43 | Very low | 194 Ų | 194 | 151.2 Ų | 151.2 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | | | trans | -95.8 | 140.2 | -157.9 | -63.3 | -108.2 | 0 | 0 | 0 | 110.6 | I371 | I371-Y373 HydrophobicContact CD1-CE2 4.46Å; I371-Y373 HydrophobicContact CG1-CE2 3.85Å |
| 374 | S | 39.2 | Very low | 43 | Very low | 99 Ų | 99 | 152.1 Ų | 152.1 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | | | trans | -178.9 | 113 | 133.5 | -98.5 | 0 | 0 | 0 | 0 | 116.7 | | |
| 375 | R | 44.1 | Very low | 43.6 | Very low | 226 Ų | 226 | 154.6 Ų | 154.6 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | | | | 86 | 119 | 122.5 | -50.3 | -105.1 | -176.1 | 169.3 | 1.5 | 119.7 | | |
| 376 | V | 46.3 | Very low | 43.5 | Very low | 139 Ų | 139 | 150.8 Ų | 150.8 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | | | trans | 85.6 | 98.9 | 152.9 | -41.3 | 0 | 0 | 0 | 0 | 118.6 | | |
| 377 | S | 40.8 | Very low | 43.6 | Very low | 114 Ų | 114 | 153.9 Ų | 153.9 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | | | | 92.9 | 145.5 | 57.8 | -173.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 378 | P | 44.4 | Very low | 43.7 | Very low | 120 Ų | 120 | 153.9 Ų | 153.9 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | | | cis | -136.2 | 168 | -35.4 | 37.7 | -19.3 | 0 | 0 | 0 | 115.8 | | |
| 379 | Q | 41.4 | Very low | 43.5 | Very low | 167 Ų | 167 | 160.5 Ų | 160.5 | 78% | 0.78 | 81% | 0.808 | S | S | * | * | | | trans | -64 | 175.3 | 178.3 | -80.7 | -88.8 | -17.7 | 0 | 0 | 116.8 | | |
| 380 | P | 46.4 | Very low | 43.5 | Very low | 118 Ų | 118 | 156 Ų | 156 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | | | | -141.9 | 129.9 | 99.7 | 35.3 | -18.8 | 0 | 0 | 0 | 117.4 | | |
| 381 | M | 40.7 | Very low | 43.3 | Very low | 164 Ų | 164 | 157.8 Ų | 157.8 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | | | trans | 22.8 | 125 | 133.3 | -60.1 | -152.1 | -69.8 | 0 | 0 | 121.6 | | |
| 382 | I | 51.6 | Low | 43 | Very low | 171 Ų | 171 | 159.5 Ų | 159.5 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | | | | -157.1 | 122.2 | 119.9 | 21.9 | 170.4 | 0 | 0 | 0 | 113.6 | | |
| 383 | S | 42.8 | Very low | 42.7 | Very low | 105 Ų | 105 | 159 Ų | 159 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | | | trans | 47.8 | 104.2 | 150.3 | -66.7 | 0 | 0 | 0 | 0 | 121.4 | | |
| 384 | R | 38.9 | Very low | 42.9 | Very low | 241 Ų | 241 | 153.1 Ų | 153.1 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | | | | 59.6 | 101.7 | 81.7 | -74 | -174.3 | 173.1 | 147.4 | -1.1 | 114.3 | | |
| 385 | L | 50.8 | Low | 42.8 | Very low | 152 Ų | 152 | 157.4 Ų | 157.4 | 80% | 0.796 | 82% | 0.818 | S | S | * | * | | | | 177.6 | 99.5 | 105.2 | -145.2 | 58.4 | 0 | 0 | 0 | 108.8 | | |
| 386 | Q | 46.7 | Very low | 42.9 | Very low | 158 Ų | 158 | 151.4 Ų | 151.4 | 74% | 0.738 | 81% | 0.809 | S | S | * | * | | | | 93.1 | 82 | 108 | -156.2 | 95.7 | 51.3 | 0 | 0 | 113.9 | | |
| 387 | Q | 39.4 | Very low | 42.7 | Very low | 192 Ų | 192 | 151 Ų | 151 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | | | trans | -100.5 | 114.9 | 157.5 | -70.2 | -166 | -23.8 | 0 | 0 | 108.8 | R389 | Q387-R389 PolarHBondContact O-N 3.29Š|
| 388 | P | 48.6 | Very low | 42.7 | Very low | 111 Ų | 111 | 151.9 Ų | 151.9 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | | | trans | -80.4 | 104.8 | 168.1 | -10.9 | 28 | 0 | 0 | 0 | 109.4 | | |
| 389 | R | 34.9 | Very low | 42.5 | Very low | 239 Ų | 239 | 154.1 Ų | 154.1 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | | | trans | -76.1 | 116.6 | 162.8 | -156.1 | -172.5 | -175 | 144.7 | 6.5 | 107 | Q387 | Q387-R389 PolarHBondContact O-N 3.29Š|
| 390 | L | 43.4 | Very low | 42.4 | Very low | 164 Ų | 164 | 154.5 Ų | 154.5 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | | | trans | -118.4 | 127.6 | 164 | -71.7 | -178.6 | 0 | 0 | 0 | 110.3 | | |
| 391 | S | 41.1 | Very low | 42.3 | Very low | 106 Ų | 106 | 154.5 Ų | 154.5 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | | | trans | -67.2 | 145.4 | -173.5 | 30.5 | 0 | 0 | 0 | 0 | 113.9 | Q393 | S391-Q393 PolarHBondContact O-N 3.46Š|
| 392 | L | 38.9 | Very low | 42.5 | Very low | 175 Ų | 175 | 151.4 Ų | 151.4 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | | | trans | -53.9 | 119.1 | 159.1 | -70.6 | 142.7 | 0 | 0 | 0 | 110 | | |
| 393 | Q | 41.6 | Very low | 42.4 | Very low | 183 Ų | 183 | 149.2 Ų | 149.2 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | | | trans | -160.9 | 117.7 | 164.6 | -173 | 68.8 | 36.3 | 0 | 0 | 109.5 | S391 | S391-Q393 PolarHBondContact O-N 3.46Š|
| 394 | G | 38.2 | Very low | 43 | Very low | 72 Ų | 72 | 149.4 Ų | 149.4 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | | | trans | 105.8 | 110 | 153.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 395 | H | 38.1 | Very low | 44 | Very low | 188 Ų | 188 | 145.8 Ų | 145.8 | 87% | 0.87 | 78% | 0.779 | S | S | * | * | | | trans | -52.8 | -174.7 | 164 | -74.6 | -78.2 | 0 | 0 | 0 | 115.7 | | |
| 396 | P | 46.6 | Very low | 44.6 | Very low | 101 Ų | 101 | 142.3 Ų | 142.3 | 66% | 0.656 | 76% | 0.761 | S | S | * | * | | | | -137 | 132.7 | -61.8 | 37.7 | -20.3 | 0 | 0 | 0 | 112 | | |
| 397 | T | 42.1 | Very low | 45.8 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | | | trans | -175.5 | 137.9 | 153.2 | 4.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 398 | D | 39.3 | Very low | 47.3 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | | | trans | 66.8 | 97.7 | 148.8 | -58.9 | -37.3 | 0 | 0 | 0 | 121.3 | Q400 | D398-Q400 PolarHBondContact O-N 3.03Š|
| 399 | L | 41.4 | Very low | 48.4 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 87% | 0.874 | 73% | 0.727 | S | S | * | * | | | | 22.1 | 82.9 | 113.1 | -70.5 | 161.2 | 0 | 0 | 0 | 117.2 | | |
| 400 | Q | 39.4 | Very low | 50.2 | Low | 175 Ų | 175 | 130.6 Ų | 130.6 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | | | trans | 168.5 | 162.1 | 146.2 | -101.6 | -178.7 | 38.8 | 0 | 0 | 106.2 | D398 | D398-Q400 PolarHBondContact O-N 3.03Š|
| 401 | T | 44.3 | Very low | 51.4 | Low | 118 Ų | 118 | 128.5 Ų | 128.5 | 72% | 0.724 | 69% | 0.688 | S | S | * | * | | | trans | 93.6 | 31.1 | 170.5 | 84.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 402 | S | 44.9 | Very low | 52.8 | Low | 100 Ų | 100 | 132.8 Ų | 132.8 | 70% | 0.699 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -82.2 | -18.4 | 166.7 | 71.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 403 | N | 48.8 | Very low | 54 | Low | 125 Ų | 125 | 128 Ų | 128 | 67% | 0.668 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -82.1 | -22.6 | -173.1 | -75.1 | -43.5 | 0 | 0 | 0 | 115.1 | N406 | N403-N406 PolarHBondContact O-OD1 2.98Š|
| 404 | V | 56.3 | Low | 55.3 | Low | 109 Ų | 109 | 123 Ų | 123 | 66% | 0.661 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -86.1 | -25.8 | -173.1 | -167.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 405 | K | 58.7 | Low | 56.5 | Low | 165 Ų | 165 | 124.2 Ų | 124.2 | 72% | 0.717 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -86.3 | -13 | -175.4 | -159.4 | 165 | 177.5 | 175.4 | 0 | 113.5 | | |
| 406 | N | 63.2 | Low | 57.2 | Low | 79 Ų | 79 | 122.6 Ų | 122.6 | 42% | 0.422 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -84.4 | -28.5 | 173.1 | 82.8 | -3.6 | 0 | 0 | 0 | 111.9 | N403 K409 L410 | N403-N406 PolarHBondContact O-OD1 2.98Å; N406-K409 WeakPolarHBondContact O-CB 3.17Å; N406-K409 PolarHBondContact O-N 3.03Å; N406-K409 VanDerWaalsContact O-N 3.16Å; N406-L410 WeakPolarHBondContact O-CD1 3.39Å; N406-L410 WeakPolarHBondContact O-CG 3.46Å; N406-L410 PolarHBondContact O-N 3.46Å |
| 407 | E | 72 | Confident | 57.7 | Low | 98 Ų | 98 | 123.7 Ų | 123.7 | 46% | 0.458 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -65.5 | -47 | -176.9 | -164.4 | -159.1 | 146.2 | 0 | 0 | 110.3 | K409 L410 R411 | E407-K409 PolarHBondContact O-N 2.91Å; E407-L410 WeakPolarHBondContact O-CB 3.44Å; E407-L410 PolarHBondContact O-N 3.25Å; E407-L410 VanDerWaalsContact O-N 3.13Å; E407-R411 WeakPolarHBondContact O-CB 3.21Å; E407-R411 WeakPolarHBondContact O-CG 3.48Å; E407-R411 PolarHBondContact O-N 3.13Å; E407-R411 IonicContact OE1-NH1 3.23Å; E407-R411 PolarHBondContact OE1-NH1 2.59Å |
| 408 | E | 71.5 | Confident | 58.1 | Low | 114 Ų | 114 | 120 Ų | 120 | 53% | 0.533 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -58.5 | -36.1 | 174.6 | -171.1 | 79 | -139.8 | 0 | 0 | 112.2 | R412 | E408-R412 VanDerWaalsContact O-CG 3.27Å; E408-R412 WeakPolarHBondContact O-CG 3.4Å; E408-R412 PolarHBondContact O-N 3.3Å |
| 409 | K | 71.1 | Confident | 58.8 | Low | 150 Ų | 150 | 125.4 Ų | 125.4 | 65% | 0.652 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -71.2 | -38.6 | 177.3 | -71.2 | 178.2 | 168.9 | -173.4 | 0 | 111.8 | N406 E407 R412 S413 | N406-K409 WeakPolarHBondContact O-CB 3.17Å; N406-K409 PolarHBondContact O-N 3.03Å; N406-K409 VanDerWaalsContact O-N 3.16Å; E407-K409 PolarHBondContact O-N 2.91Å; K409-R412 PolarHBondContact O-N 3.21Å; K409-S413 PolarHBondContact O-N 3.21Å; K409-S413 PolarHBondContact O-OG 3.37Å |
| 410 | L | 72.4 | Confident | 59 | Low | 92 Ų | 92 | 123.4 Ų | 123.4 | 48% | 0.482 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -66.7 | -37.7 | 174.2 | -76.6 | 154.6 | 0 | 0 | 0 | 111.8 | N406 E407 R412 S413 L414 | N406-L410 WeakPolarHBondContact O-CD1 3.39Å; N406-L410 WeakPolarHBondContact O-CG 3.46Å; N406-L410 PolarHBondContact O-N 3.46Å; E407-L410 WeakPolarHBondContact O-CB 3.44Å; E407-L410 PolarHBondContact O-N 3.25Å; E407-L410 VanDerWaalsContact O-N 3.13Å; L410-R412 VanDerWaalsContact C-N 3.26Å; L410-R412 PolarHBondContact O-N 3.38Å; L410-S413 WeakPolarHBondContact CA-OG 3.44Å; L410-S413 PolarHBondContact O-N 3.3Å; L410-S413 PolarHBondContact O-OG 2.78Å; L410-S413 VanDerWaalsContact O-OG 3.1Å; L410-L414 PolarHBondContact O-N 3.15Å |
| 411 | R | 68.9 | Low | 59.2 | Low | 119 Ų | 119 | 120.1 Ų | 120.1 | 45% | 0.449 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.5 | -27 | 175.2 | -68 | 169.6 | 81.7 | 85.9 | 13.5 | 112.9 | E407 | E407-R411 WeakPolarHBondContact O-CB 3.21Å; E407-R411 WeakPolarHBondContact O-CG 3.48Å; E407-R411 PolarHBondContact O-N 3.13Å; E407-R411 IonicContact OE1-NH1 3.23Å; E407-R411 PolarHBondContact OE1-NH1 2.59Å |
| 412 | R | 71.1 | Confident | 58.9 | Low | 196 Ų | 196 | 121.4 Ų | 121.4 | 74% | 0.74 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -90.2 | -28.3 | 177.4 | -67.5 | 174.5 | 91.2 | 117 | 3 | 113.7 | E408 K409 L410 L414 | E408-R412 VanDerWaalsContact O-CG 3.27Å; E408-R412 WeakPolarHBondContact O-CG 3.4Å; E408-R412 PolarHBondContact O-N 3.3Å; K409-R412 PolarHBondContact O-N 3.21Å; L410-R412 VanDerWaalsContact C-N 3.26Å; L410-R412 PolarHBondContact O-N 3.38Å; R412-L414 VanDerWaalsContact C-N 3.32Å |
| 413 | S | 63.4 | Low | 58.9 | Low | 76 Ų | 76 | 122.8 Ų | 122.8 | 53% | 0.531 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -80 | -14.8 | 176 | 58.4 | 0 | 0 | 0 | 0 | 113.3 | K409 L410 P415 | K409-S413 PolarHBondContact O-N 3.21Å; K409-S413 PolarHBondContact O-OG 3.37Å; L410-S413 WeakPolarHBondContact CA-OG 3.44Å; L410-S413 PolarHBondContact O-N 3.3Å; L410-S413 PolarHBondContact O-OG 2.78Å; L410-S413 VanDerWaalsContact O-OG 3.1Å; S413-P415 WeakPolarHBondContact O-CD 3.15Å |
| 414 | L | 69.6 | Low | 58.5 | Low | 78 Ų | 78 | 124.7 Ų | 124.7 | 41% | 0.408 | 63% | 0.633 | S | S | . | * | | | trans | -126.7 | 73.1 | -177.8 | -61 | 173.6 | 0 | 0 | 0 | 110.9 | L410 R412 N416 L417 | L410-L414 PolarHBondContact O-N 3.15Å; R412-L414 VanDerWaalsContact C-N 3.32Å; L414-N416 PolarHBondContact O-N 3.22Å; L414-L417 HydrophobicContact CB-CB 4.11Å; L414-L417 HydrophobicContact CB-CD1 4.02Å; L414-L417 HydrophobicContact CD1-CD1 3.87Å; L414-L417 HydrophobicContact CD2-CD1 4.02Å; L414-L417 HydrophobicContact CG-CD1 4.18Å; L414-L417 PolarHBondContact O-N 3.1Å |
| 415 | P | 63.2 | Low | 57.6 | Low | 96 Ų | 96 | 124.9 Ų | 124.9 | 62% | 0.623 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -10.5 | -177.6 | 24.4 | -33.6 | 0 | 0 | 0 | 114.1 | S413 | S413-P415 WeakPolarHBondContact O-CD 3.15Š|
| 416 | N | 53 | Low | 56.6 | Low | 154 Ų | 154 | 124.8 Ų | 124.8 | 82% | 0.824 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | 1.2 | -176.4 | -63.4 | -49.8 | 0 | 0 | 0 | 114.4 | L414 | L414-N416 PolarHBondContact O-N 3.22Š|
| 417 | L | 56.9 | Low | 55.5 | Low | 125 Ų | 125 | 126 Ų | 126 | 65% | 0.654 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.9 | -4.4 | -173.9 | -75.4 | 154.8 | 0 | 0 | 0 | 114.2 | L414 R419 | L414-L417 HydrophobicContact CB-CB 4.11Å; L414-L417 HydrophobicContact CB-CD1 4.02Å; L414-L417 HydrophobicContact CD1-CD1 3.87Å; L414-L417 HydrophobicContact CD2-CD1 4.02Å; L414-L417 HydrophobicContact CG-CD1 4.18Å; L414-L417 PolarHBondContact O-N 3.1Å; L417-R419 PolarHBondContact O-N 3.42Å; L417-R419 VanDerWaalsContact O-N 3.13Å |
| 418 | S | 51.8 | Low | 53.8 | Low | 54 Ų | 54 | 128.1 Ų | 128.1 | 38% | 0.378 | 68% | 0.676 | S | S | . | * | | | trans | -82.7 | 20.9 | -174.5 | 41.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 419 | R | 52.5 | Low | 52.5 | Low | 244 Ų | 244 | 132.4 Ų | 132.4 | 92% | 0.921 | 69% | 0.693 | S | S | * | * | | | trans | -107.3 | 57.4 | 175.4 | -77.9 | -178.2 | 160.9 | -114.1 | 0.3 | 111.8 | L417 | L417-R419 PolarHBondContact O-N 3.42Å; L417-R419 VanDerWaalsContact O-N 3.13Å |
| 420 | T | 47.2 | Very low | 51 | Low | 125 Ų | 125 | 130.7 Ų | 130.7 | 77% | 0.767 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -137.8 | 129.2 | 154.7 | 55.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 421 | S | 41.9 | Very low | 49.4 | Very low | 106 Ų | 106 | 131.5 Ų | 131.5 | 74% | 0.741 | 71% | 0.713 | S | S | * | * | | | trans | -84.5 | 128.8 | -159.4 | 38.4 | 0 | 0 | 0 | 0 | 112.4 | T423 | S421-T423 PolarHBondContact O-N 2.95Š|
| 422 | N | 39.5 | Very low | 48.2 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | | | trans | -58.3 | 112.7 | 157.3 | -176 | 41.6 | 0 | 0 | 0 | 109.8 | | |
| 423 | T | 44.2 | Very low | 46.8 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | | | trans | -138.3 | 88.4 | 159.4 | 47.7 | 0 | 0 | 0 | 0 | 108.6 | S421 | S421-T423 PolarHBondContact O-N 2.95Š|
| 424 | Q | 40.6 | Very low | 45.6 | Very low | 166 Ų | 166 | 136.9 Ų | 136.9 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | | | trans | -69.3 | 127.8 | 160.7 | -122.7 | -167.5 | -29.6 | 0 | 0 | 108.8 | | |
| 425 | V | 36.3 | Very low | 44.2 | Very low | 113 Ų | 113 | 138 Ų | 138 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | | | trans | 9.8 | 113.7 | 148 | -57.3 | 0 | 0 | 0 | 0 | 117.6 | | |
| 426 | D | 38 | Very low | 43.2 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | | | trans | -172.2 | 141.5 | 133.8 | -93.7 | -40 | 0 | 0 | 0 | 111.2 | | |
| 427 | S | 40.2 | Very low | 42.5 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | | | trans | 79.1 | 88.9 | 165.5 | -64.9 | 0 | 0 | 0 | 0 | 120.2 | | |
| 428 | V | 36.1 | Very low | 41.9 | Very low | 142 Ų | 142 | 145.5 Ų | 145.5 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | | | | 5.7 | 118.6 | 127.8 | -86.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 429 | K | 44.4 | Very low | 41.6 | Very low | 203 Ų | 203 | 149 Ų | 149 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | | | | 153.8 | 134.6 | 117.8 | -157.3 | 156 | 179.6 | 176.2 | 0 | 112.1 | | |
| 430 | S | 39.2 | Very low | 41.3 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | 74.9 | 98.6 | 174.1 | -77.1 | 0 | 0 | 0 | 0 | 117.4 | | |
| 431 | S | 40.2 | Very low | 41.3 | Very low | 108 Ų | 108 | 145 Ų | 145 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | | | | 89.9 | 127.6 | 52.6 | -169 | 0 | 0 | 0 | 0 | 114 | | |
| 432 | R | 43.8 | Very low | 41.3 | Very low | 227 Ų | 227 | 143.4 Ų | 143.4 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | | | trans | 89.2 | 95.5 | 171.6 | -55.9 | 179.8 | 158.3 | 178.6 | -8.5 | 114.4 | | |
| 433 | S | 40.5 | Very low | 41.3 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | | 53.5 | 98.5 | 54.4 | -48.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 434 | D | 39.1 | Very low | 41.3 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | | | trans | -154.5 | 123.2 | 136.2 | -123.4 | -48.7 | 0 | 0 | 0 | 111.1 | | |
| 435 | S | 40.8 | Very low | 41.4 | Very low | 101 Ų | 101 | 139.2 Ų | 139.2 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | | | trans | -92.3 | 127.4 | 174.6 | 50.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 436 | N | 41.9 | Very low | 41.5 | Very low | 152 Ų | 152 | 144.3 Ų | 144.3 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | | | trans | -160.1 | 136 | 150.9 | -117.6 | -43.8 | 0 | 0 | 0 | 112.3 | | |
| 437 | F | 38.3 | Very low | 41.7 | Very low | 192 Ų | 192 | 143.3 Ų | 143.3 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | | | trans | -58.8 | 134.4 | 173 | -66.6 | -102.5 | 0 | 0 | 0 | 110.5 | | |
| 438 | Q | 42.8 | Very low | 41.7 | Very low | 190 Ų | 190 | 146 Ų | 146 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | | | trans | -170.9 | 125.9 | 134.2 | -110.8 | 157.6 | 22.6 | 0 | 0 | 113.8 | | |
| 439 | V | 47.2 | Very low | 42.1 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | | | trans | -44 | 150 | 160.1 | -108.6 | 0 | 0 | 0 | 0 | 112.4 | N441 | V439-N441 PolarHBondContact O-N 3.24Å; V439-N441 VanDerWaalsContact O-N 3.15Å |
| 440 | P | 45.9 | Very low | 42 | Very low | 132 Ų | 132 | 143.5 Ų | 143.5 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | | | trans | -78.6 | 104.3 | -176.1 | 32.1 | -29.2 | 0 | 0 | 0 | 109.4 | | |
| 441 | N | 45.7 | Very low | 41.9 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | -117.5 | 107.6 | 168.2 | -159.8 | 56.3 | 0 | 0 | 0 | 109.5 | V439 | V439-N441 PolarHBondContact O-N 3.24Å; V439-N441 VanDerWaalsContact O-N 3.15Å |
| 442 | G | 41.9 | Very low | 41.9 | Very low | 73 Ų | 73 | 143.3 Ų | 143.3 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | trans | -68.5 | 140.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 443 | G | 39.9 | Very low | 41.7 | Very low | 67 Ų | 67 | 137.3 Ų | 137.3 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | | | trans | 123.7 | 88 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 444 | I | 44 | Very low | 41.7 | Very low | 168 Ų | 168 | 139.3 Ų | 139.3 | 86% | 0.862 | 80% | 0.797 | S | S | * | * | | | trans | -19.2 | 155.1 | 146.1 | 41.4 | 167.6 | 0 | 0 | 0 | 116.6 | | |
| 445 | P | 43.4 | Very low | 42.2 | Very low | 116 Ų | 116 | 137 Ų | 137 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | | | cis | -157.3 | 159.7 | 46 | 40.2 | -16.6 | 0 | 0 | 0 | 121.3 | | |
| 446 | R | 38.8 | Very low | 42.2 | Very low | 219 Ų | 219 | 137.5 Ų | 137.5 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | | | | 54.3 | 125.8 | 128.5 | -164.7 | -170.8 | 178.8 | 88.6 | -0.7 | 123.6 | | |
| 447 | M | 42.3 | Very low | 42.1 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | | | | -168.5 | 108.1 | 130 | -79.2 | -63.1 | 78.5 | 0 | 0 | 108.9 | | |
| 448 | Q | 40.2 | Very low | 42.2 | Very low | 164 Ų | 164 | 130.6 Ų | 130.6 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | | | | 92.8 | 146.8 | 90.9 | -173.3 | 177.8 | 8.5 | 0 | 0 | 114 | | |
| 449 | P | 43.3 | Very low | 42.6 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | | | cis | -127.6 | 156.7 | -14.7 | 28.6 | -8.8 | 0 | 0 | 0 | 115.8 | | |
| 450 | Q | 42.9 | Very low | 42.4 | Very low | 189 Ų | 189 | 134.7 Ų | 134.7 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | | 169.3 | 127.2 | 117.7 | -89 | -161.2 | -13.3 | 0 | 0 | 112.8 | | |
| 451 | A | 38 | Very low | 42.1 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | | | trans | 47 | 134.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 452 | S | 38.9 | Very low | 41.8 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | cis | -166.8 | 135.7 | 0.7 | -78.2 | 0 | 0 | 0 | 0 | 102.6 | | |
| 453 | A | 39.2 | Very low | 41.8 | Very low | 101 Ų | 101 | 139 Ų | 139 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | | | | -162.8 | 149.7 | 53.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 454 | I | 41.4 | Very low | 42 | Very low | 159 Ų | 159 | 140 Ų | 140 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | | | trans | -88.6 | 172.8 | -172.9 | -65.7 | 153.9 | 0 | 0 | 0 | 109.1 | | |
| 455 | P | 48.9 | Very low | 41.6 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | cis | -129.3 | 179.3 | 3.2 | 12.8 | 15.4 | 0 | 0 | 0 | 113.5 | | |
| 456 | S | 42.5 | Very low | 41.9 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | cis | -173 | 134.7 | 1 | -100.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 457 | P | 38.8 | Very low | 41.8 | Very low | 136 Ų | 136 | 131 Ų | 131 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | | | trans | -110.7 | 157.2 | 164.5 | 36.2 | -25.4 | 0 | 0 | 0 | 111.4 | | |
| 458 | G | 40.3 | Very low | 41.7 | Very low | 63 Ų | 63 | 130 Ų | 130 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | | | trans | 155.6 | 113.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 459 | K | 51.1 | Low | 41.8 | Very low | 195 Ų | 195 | 130.2 Ų | 130.2 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | | 177.2 | 106.6 | 129.2 | -87.5 | 149.2 | -168.9 | -170.4 | 0 | 110.1 | | |
| 460 | F | 44.1 | Very low | 41.6 | Very low | 209 Ų | 209 | 129 Ų | 129 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | | | trans | 33.8 | 119.6 | 133.5 | -62.2 | -84.2 | 0 | 0 | 0 | 119 | | |
| 461 | R | 39.6 | Very low | 41.5 | Very low | 230 Ų | 230 | 127.4 Ų | 127.4 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | | | | 174.6 | 107.6 | 116.4 | -169.6 | 164.1 | -164.2 | 148.9 | 1.1 | 111.7 | | |
| 462 | S | 39.3 | Very low | 41.8 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | -81 | 153 | 145.4 | -51.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 463 | P | 42 | Very low | 41.9 | Very low | 104 Ų | 104 | 135.4 Ų | 135.4 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | | | | -147.3 | 143.5 | 98.4 | 34.2 | -14.4 | 0 | 0 | 0 | 112.5 | | |
| 464 | A | 42.2 | Very low | 42.4 | Very low | 87 Ų | 87 | 136.7 Ų | 136.7 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | | | | 69.2 | 120.5 | 96.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 465 | A | 37.6 | Very low | 42.4 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -56.3 | 144.7 | 153.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 466 | P | 48.3 | Very low | 42 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | | | | -148.8 | 147.6 | 127.4 | 30.8 | -11.1 | 0 | 0 | 0 | 114.6 | | |
| 467 | S | 36.3 | Very low | 41.7 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | | | trans | 73.2 | 120.5 | 134.6 | -58.6 | 0 | 0 | 0 | 0 | 121 | | |
| 468 | P | 40.3 | Very low | 41.9 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | | | trans | -79.7 | 127.7 | 154.5 | 33.3 | -25.5 | 0 | 0 | 0 | 108 | | |
| 469 | L | 42.6 | Very low | 41.7 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | | | trans | -178.9 | 121.1 | 156.2 | -101.8 | 160.2 | 0 | 0 | 0 | 110.7 | | |
| 470 | A | 38.5 | Very low | 40.9 | Very low | 78 Ų | 78 | 138.2 Ų | 138.2 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | | | trans | 63.4 | 147.8 | 142.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 471 | L | 41.1 | Very low | 40.9 | Very low | 154 Ų | 154 | 136.6 Ų | 136.6 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | | | trans | 85.5 | 115.7 | 168.9 | -49.4 | 166.5 | 0 | 0 | 0 | 113.6 | | |
| 472 | R | 45.1 | Very low | 40.8 | Very low | 222 Ų | 222 | 129.3 Ų | 129.3 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | | | cis | -169 | 137.5 | 15.6 | -108.1 | 158.5 | 144.1 | -126.4 | -9.6 | 107.3 | | |
| 473 | Q | 41.5 | Very low | 41.1 | Very low | 166 Ų | 166 | 130 Ų | 130 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | -50.2 | 156 | 159.8 | -64.2 | 179.6 | -37.6 | 0 | 0 | 110.3 | V475 | Q473-V475 HydrophobicContact CB-CG2 4.18Å; Q473-V475 HydrophobicContact CG-CG2 4.5Å |
| 474 | P | 49.7 | Very low | 41.2 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | | | | -116.9 | 115.4 | 115.9 | 30.6 | -29.2 | 0 | 0 | 0 | 110.3 | K476 | P474-K476 PolarHBondContact O-N 3.03Š|
| 475 | V | 41.3 | Very low | 41.3 | Very low | 96 Ų | 96 | 130.4 Ų | 130.4 | 58% | 0.582 | 78% | 0.776 | S | S | * | * | | | trans | -55.4 | 124.4 | 158.1 | -177.4 | 0 | 0 | 0 | 0 | 107.3 | Q473 A477 | Q473-V475 HydrophobicContact CB-CG2 4.18Å; Q473-V475 HydrophobicContact CG-CG2 4.5Å; V475-A477 HydrophobicContact CG1-CB 3.78Å |
| 476 | K | 39.4 | Very low | 41.4 | Very low | 217 Ų | 217 | 131.7 Ų | 131.7 | 94% | 0.943 | 78% | 0.775 | S | S | * | * | | | trans | -117.4 | 84.7 | 158.3 | -130.4 | 170 | -175.5 | -179.5 | 0 | 107.2 | P474 | P474-K476 PolarHBondContact O-N 3.03Š|
| 477 | A | 36.8 | Very low | 41 | Very low | 53 Ų | 53 | 129.8 Ų | 129.8 | 44% | 0.438 | 78% | 0.776 | S | S | . | * | | | trans | -90.2 | 143.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | V475 | V475-A477 HydrophobicContact CG1-CB 3.78Š|
| 478 | F | 42.2 | Very low | 41.2 | Very low | 205 Ų | 205 | 129.8 Ų | 129.8 | 90% | 0.899 | 78% | 0.776 | S | S | * | * | | | trans | 58.2 | 117 | 160.7 | -48.7 | -71 | 0 | 0 | 0 | 117.7 | | |
| 479 | S | 37 | Very low | 41.4 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | | | | 173.9 | 131.7 | 95 | -166.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 480 | N | 34.6 | Very low | 41.1 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 68% | 0.684 | 77% | 0.77 | S | S | * | * | | | trans | -51.4 | 165.2 | 152.2 | -97.5 | -2.9 | 0 | 0 | 0 | 111 | | |
| 481 | H | 44 | Very low | 41.3 | Very low | 175 Ų | 175 | 134 Ų | 134 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | | | trans | 96.5 | 127.3 | 160.5 | -48.6 | -69 | 0 | 0 | 0 | 116.9 | | |
| 482 | G | 36.6 | Very low | 41.2 | Very low | 76 Ų | 76 | 131.7 Ų | 131.7 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | | | trans | 112.7 | 85.7 | 135 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 483 | S | 46 | Very low | 41 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | | | trans | -56.6 | 135.3 | 143.6 | 53.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 484 | G | 43.2 | Very low | 40.9 | Very low | 77 Ų | 77 | 127.2 Ų | 127.2 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | | | trans | 157.6 | 106.6 | 164 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 485 | S | 44.6 | Very low | 40.3 | Very low | 124 Ų | 124 | 126.1 Ų | 126.1 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | | | trans | -69.7 | 163.7 | 168 | -145.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 486 | P | 40.6 | Very low | 40.3 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | | | trans | -95.4 | 160.8 | -145.9 | 37.9 | -36.6 | 0 | 0 | 0 | 115.4 | | |
| 487 | G | 38.8 | Very low | 40.2 | Very low | 70 Ų | 70 | 124 Ų | 124 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | | | trans | -178.6 | 102.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 488 | S | 41.4 | Very low | 40.4 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | | | trans | 52.3 | 124.7 | 143.7 | -64.1 | 0 | 0 | 0 | 0 | 123.3 | | |
| 489 | Q | 43.9 | Very low | 40.4 | Very low | 176 Ų | 176 | 123.7 Ų | 123.7 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | | | trans | 66.7 | 145.5 | 133.7 | -60.5 | -175.6 | 6.7 | 0 | 0 | 117.2 | | |
| 490 | E | 37.7 | Very low | 40.9 | Very low | 153 Ų | 153 | 123.8 Ų | 123.8 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | | | cis | -169.7 | 161.6 | -6.4 | -135 | -164.7 | 138.1 | 0 | 0 | 105.3 | | |
| 491 | I | 41.1 | Very low | 41.7 | Very low | 125 Ų | 125 | 124.1 Ų | 124.1 | 64% | 0.641 | 77% | 0.765 | S | S | * | * | | | trans | 74.4 | 97.8 | 149.1 | -58.3 | 161.9 | 0 | 0 | 0 | 120 | | |
| 492 | T | 40 | Very low | 41.6 | Very low | 106 Ų | 106 | 119.3 Ų | 119.3 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | | | | 63.5 | 122.5 | 109.9 | -48.5 | 0 | 0 | 0 | 0 | 123.2 | | |
| 493 | Q | 40.8 | Very low | 42.8 | Very low | 158 Ų | 158 | 121.6 Ų | 121.6 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | | | trans | 92.4 | 124.1 | 141 | -83.2 | 178.5 | 104.7 | 0 | 0 | 123.9 | | |
| 494 | L | 39.2 | Very low | 43.3 | Very low | 137 Ų | 137 | 121.2 Ų | 121.2 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | | | trans | 85.9 | 109.9 | 130.2 | -68.3 | 167.7 | 0 | 0 | 0 | 123.4 | | |
| 495 | T | 37.9 | Very low | 43.5 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 64% | 0.638 | 76% | 0.76 | S | S | * | * | | | | 56.2 | 132.3 | 127.8 | 11.9 | 0 | 0 | 0 | 0 | 125.4 | | |
| 496 | Q | 39.7 | Very low | 43.7 | Very low | 160 Ų | 160 | 124.1 Ų | 124.1 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | | | trans | 95.4 | 133.9 | 131.2 | -91.8 | 173.5 | 66.5 | 0 | 0 | 123.8 | | |
| 497 | T | 38.6 | Very low | 43.9 | Very low | 108 Ų | 108 | 127 Ų | 127 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | | | trans | 71.7 | 108.8 | 144.6 | 54.1 | 0 | 0 | 0 | 0 | 120.4 | | |
| 498 | T | 40.6 | Very low | 43.9 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | | | | 68.8 | 116.5 | 82.1 | 62.1 | 0 | 0 | 0 | 0 | 117 | | |
| 499 | S | 42.8 | Very low | 43.9 | Very low | 122 Ų | 122 | 128.5 Ų | 128.5 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | | | | 166.9 | 132.6 | 126.5 | 56.2 | 0 | 0 | 0 | 0 | 114 | | |
| 500 | S | 47.2 | Very low | 43.8 | Very low | 113 Ų | 113 | 126.6 Ų | 126.6 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | | | trans | -75.7 | 179.5 | 169.7 | -45.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 501 | P | 50.1 | Low | 44 | Very low | 134 Ų | 134 | 124.9 Ų | 124.9 | 87% | 0.87 | 75% | 0.748 | S | S | * | * | | | | -154.5 | 174.5 | 81.9 | 34.6 | -10.9 | 0 | 0 | 0 | 117.2 | | |
| 502 | G | 43.5 | Very low | 44.1 | Very low | 74 Ų | 74 | 123.4 Ų | 123.4 | 76% | 0.763 | 75% | 0.754 | S | S | * | * | | | trans | -100.6 | -159.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 503 | P | 62 | Low | 44.2 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | | | trans | -112.7 | -174.8 | -160.7 | 43.3 | -33.8 | 0 | 0 | 0 | 114.8 | | |
| 504 | P | 56.3 | Low | 45 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | | | trans | -151.5 | 148.7 | 142.1 | 32.8 | -12.2 | 0 | 0 | 0 | 118.9 | | |
| 505 | M | 47.3 | Very low | 45.4 | Very low | 168 Ų | 168 | 122.4 Ų | 122.4 | 83% | 0.828 | 76% | 0.763 | S | S | * | * | | | trans | 61.9 | 143.2 | 132.3 | -133.6 | 170.7 | 74.9 | 0 | 0 | 119.9 | | |
| 506 | V | 49.3 | Very low | 45.6 | Very low | 94 Ų | 94 | 122.6 Ų | 122.6 | 57% | 0.57 | 77% | 0.768 | S | S | * | * | | | | -172.1 | 145.9 | 50.7 | -145 | 0 | 0 | 0 | 0 | 112 | | |
| 507 | Q | 44.4 | Very low | 45.5 | Very low | 184 Ų | 184 | 121.8 Ų | 121.8 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | | | trans | 36.9 | 154.9 | 140 | -72.3 | 163.6 | 7.6 | 0 | 0 | 122.7 | | |
| 508 | S | 38.2 | Very low | 45.9 | Very low | 89 Ų | 89 | 122.7 Ų | 122.7 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | | | cis | 178 | 140 | -11.5 | -179.6 | 0 | 0 | 0 | 0 | 107.2 | | |
| 509 | T | 41.6 | Very low | 45.9 | Very low | 119 Ų | 119 | 123 Ų | 123 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | | | trans | 49.4 | 132.5 | 146.7 | 56.1 | 0 | 0 | 0 | 0 | 120.6 | | |
| 510 | V | 42 | Very low | 45.8 | Very low | 135 Ų | 135 | 122.5 Ų | 122.5 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | | -175.8 | 142.6 | 59.7 | -93.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 511 | S | 41.1 | Very low | 45.5 | Very low | 117 Ų | 117 | 121.2 Ų | 121.2 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | 41 | 125.1 | 136.5 | -132.1 | 0 | 0 | 0 | 0 | 124.4 | | |
| 512 | A | 43.2 | Very low | 45 | Very low | 94 Ų | 94 | 120.7 Ų | 120.7 | 78% | 0.777 | 75% | 0.753 | S | S | * | * | | | | 165.2 | 102.6 | 119.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 513 | N | 43 | Very low | 44.9 | Very low | 164 Ų | 164 | 124.8 Ų | 124.8 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | | | trans | 39.3 | 155 | 140.7 | -74.1 | -13.2 | 0 | 0 | 0 | 127.1 | | |
| 514 | P | 56.2 | Low | 44 | Very low | 107 Ų | 107 | 126 Ų | 126 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | | | trans | -110 | -170.4 | -161.7 | 44.4 | -30.2 | 0 | 0 | 0 | 113.1 | | |
| 515 | P | 48.8 | Very low | 43.1 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 71% | 0.708 | 77% | 0.766 | S | S | * | * | | | | -162.5 | 173.1 | 87.6 | 40.4 | -17.7 | 0 | 0 | 0 | 118.3 | | |
| 516 | S | 41.5 | Very low | 43 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | trans | 49.5 | 152.4 | 137.4 | 64.2 | 0 | 0 | 0 | 0 | 121.9 | | |
| 517 | N | 39 | Very low | 42.6 | Very low | 143 Ų | 143 | 129 Ų | 129 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | | | cis | 171 | 172.7 | -9.2 | -166.6 | 7.8 | 0 | 0 | 0 | 104.1 | | |
| 518 | I | 45.2 | Very low | 42.5 | Very low | 127 Ų | 127 | 123.5 Ų | 123.5 | 65% | 0.651 | 77% | 0.767 | S | S | * | * | | | trans | 92.4 | 106.4 | 150.9 | -60.6 | 167.1 | 0 | 0 | 0 | 120.3 | | |
| 519 | N | 41.4 | Very low | 42.9 | Very low | 136 Ų | 136 | 125.6 Ų | 125.6 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | | 79.7 | 118.7 | 127.9 | -59.5 | -2.6 | 0 | 0 | 0 | 124.7 | | |
| 520 | S | 40 | Very low | 42.9 | Very low | 111 Ų | 111 | 126.2 Ų | 126.2 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | | 68.7 | 130 | 116.5 | -54.4 | 0 | 0 | 0 | 0 | 123 | | |
| 521 | A | 41 | Very low | 42.9 | Very low | 86 Ų | 86 | 124 Ų | 124 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | | | trans | 100 | 131.5 | 130.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 522 | T | 39.9 | Very low | 43.1 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | | | trans | 79.9 | 103.8 | 140.5 | 43.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 523 | L | 42 | Very low | 43.3 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | | | | 36.7 | 119.3 | 121.1 | -81.7 | 144.1 | 0 | 0 | 0 | 119.1 | | |
| 524 | T | 42.7 | Very low | 43.4 | Very low | 149 Ų | 149 | 131 Ų | 131 | 91% | 0.914 | 78% | 0.778 | S | S | * | * | | | | -173.7 | 129.2 | 123.5 | 19.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 525 | R | 38.2 | Very low | 42.8 | Very low | 233 Ų | 233 | 129.3 Ų | 129.3 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | | | trans | -98.8 | 167.7 | 162 | -150.5 | 169.1 | 63.4 | -161.7 | -3.4 | 105.4 | | |
| 526 | P | 44.4 | Very low | 43.2 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | | | cis | -155.2 | -173.3 | 25.7 | 41.7 | -17.6 | 0 | 0 | 0 | 119.3 | | |
| 527 | A | 40.3 | Very low | 44 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | | | trans | 89.6 | 127.2 | 146.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 528 | G | 42.7 | Very low | 44.8 | Very low | 68 Ų | 68 | 137.5 Ų | 137.5 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | | | trans | 136.9 | 87.1 | 153.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 529 | T | 45.8 | Very low | 45 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | | | trans | 62.4 | 111.7 | 141 | 64.6 | 0 | 0 | 0 | 0 | 122.7 | | |
| 530 | T | 43.1 | Very low | 45.3 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | | | trans | 62.5 | 108.1 | 133.2 | 64.1 | 0 | 0 | 0 | 0 | 121 | | |
| 531 | A | 41.7 | Very low | 45.9 | Very low | 88 Ų | 88 | 136 Ų | 136 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | | | | 175.6 | 109.5 | 120.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 532 | M | 46 | Very low | 46.7 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | 57.6 | 120.7 | 134.3 | -43.1 | -51.4 | 168.5 | 0 | 0 | 122.8 | | |
| 533 | R | 45.7 | Very low | 46.8 | Very low | 241 Ų | 241 | 138 Ų | 138 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | | | trans | 78.2 | 131.4 | 148.3 | -65.7 | 168.1 | 150.4 | -102.8 | -2.6 | 118 | | |
| 534 | S | 45.3 | Very low | 47 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | | | cis | -161.2 | 124.9 | -5.7 | 58.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 535 | G | 44.1 | Very low | 47.3 | Very low | 72 Ų | 72 | 132.3 Ų | 132.3 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | | | trans | -109.5 | 134.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 536 | L | 58.5 | Low | 47.6 | Very low | 179 Ų | 179 | 124.7 Ų | 124.7 | 94% | 0.937 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 130.7 | 177.3 | -76.2 | 97.5 | 0 | 0 | 0 | 110.9 | | |
| 537 | P | 57.2 | Low | 48.1 | Very low | 124 Ų | 124 | 127.3 Ų | 127.3 | 81% | 0.805 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 136.9 | 171.7 | 33.5 | -27.4 | 0 | 0 | 0 | 111.7 | | |
| 538 | R | 55.1 | Low | 48.4 | Very low | 229 Ų | 229 | 127.9 Ų | 127.9 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 143.3 | 167.6 | -173.3 | 177.6 | -175 | 177.7 | 1.5 | 110.5 | S540 | R538-S540 PolarHBondContact O-N 3.46Š|
| 539 | P | 50.5 | Low | 48.9 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 123.1 | -179.9 | 29.9 | -31.3 | 0 | 0 | 0 | 110.9 | | |
| 540 | S | 48.2 | Very low | 48.8 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | | | trans | -110.5 | 134.8 | 165 | -66 | 0 | 0 | 0 | 0 | 108.6 | R538 | R538-S540 PolarHBondContact O-N 3.46Š|
| 541 | A | 52.4 | Low | 48.9 | Very low | 97 Ų | 97 | 135.3 Ų | 135.3 | 80% | 0.802 | 82% | 0.824 | S | S | * | * | | | trans | -63.5 | 149.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 542 | P | 57.9 | Low | 49.4 | Very low | 135 Ų | 135 | 137 Ų | 137 | 88% | 0.877 | 83% | 0.831 | S | S | * | * | | | trans | -83.8 | 136.2 | 173.5 | 31.8 | -30.3 | 0 | 0 | 0 | 112 | | |
| 543 | S | 42.2 | Very low | 49.4 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 83% | 0.832 | 83% | 0.834 | S | S | * | * | | | trans | -115.3 | 143.3 | 165.9 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 544 | A | 45.6 | Very low | 49.4 | Very low | 103 Ų | 103 | 135.4 Ų | 135.4 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | | | trans | 88.8 | 118 | 161.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 545 | G | 49.5 | Very low | 49.5 | Very low | 86 Ų | 86 | 134.7 Ų | 134.7 | 89% | 0.887 | 84% | 0.835 | S | S | * | * | | | trans | 105.9 | 118 | 160.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 546 | G | 42.8 | Very low | 50 | Low | 72 Ų | 72 | 139.6 Ų | 139.6 | 74% | 0.742 | 84% | 0.838 | S | S | * | * | | | cis | 150.6 | 107.4 | 4.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 547 | I | 55.5 | Low | 49.4 | Very low | 165 Ų | 165 | 136.4 Ų | 136.4 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | | | trans | -153.2 | 131.2 | 164.8 | -39.3 | 173.9 | 0 | 0 | 0 | 108.6 | | |
| 548 | P | 46.3 | Very low | 49 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 77% | 0.766 | 83% | 0.828 | S | S | * | * | | | trans | -98.3 | 133.7 | -170.6 | 35.6 | -29.4 | 0 | 0 | 0 | 112.7 | | |
| 549 | V | 54 | Low | 48.8 | Very low | 139 Ų | 139 | 137.5 Ų | 137.5 | 84% | 0.842 | 83% | 0.831 | S | S | * | * | | | trans | -147.7 | 135.7 | 160.9 | -173.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 550 | P | 43.1 | Very low | 48.8 | Very low | 109 Ų | 109 | 142.2 Ų | 142.2 | 71% | 0.708 | 83% | 0.832 | S | S | * | * | | | trans | -103.5 | 163.9 | -163.6 | 40.2 | -33.9 | 0 | 0 | 0 | 115 | | |
| 551 | R | 44.8 | Very low | 49.1 | Very low | 239 Ų | 239 | 141.9 Ų | 141.9 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | | | trans | 85.8 | 112 | 160.9 | -53.5 | 177.1 | 92.5 | 95.9 | -5.9 | 117.6 | | |
| 552 | S | 53.2 | Low | 49.4 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | | | | -175 | 143.1 | 92.9 | -166 | 0 | 0 | 0 | 0 | 110.4 | | |
| 553 | K | 45.3 | Very low | 49.2 | Very low | 204 Ų | 204 | 144 Ų | 144 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | | | trans | -78.3 | 124.4 | -170.5 | -64.8 | -173 | 175.9 | -179.6 | 0 | 111.1 | | |
| 554 | L | 46.3 | Very low | 49.8 | Very low | 170 Ų | 170 | 142.4 Ų | 142.4 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | | | trans | -141.3 | 129.6 | 153 | -155.1 | 68.5 | 0 | 0 | 0 | 109.6 | | |
| 555 | A | 48.1 | Very low | 50.2 | Low | 101 Ų | 101 | 143.5 Ų | 143.5 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 134.4 | -167 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 556 | Q | 52.8 | Low | 50.4 | Low | 175 Ų | 175 | 148.4 Ų | 148.4 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 136.5 | 172.4 | -76 | -85.6 | -31.8 | 0 | 0 | 110 | | |
| 557 | P | 47.6 | Very low | 50.4 | Low | 112 Ų | 112 | 151.7 Ų | 151.7 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 131.7 | 175.7 | 28.4 | -30.4 | 0 | 0 | 0 | 110.8 | R559 | P557-R559 PolarHBondContact O-N 3.23Š|
| 558 | V | 47.1 | Very low | 50 | Low | 132 Ų | 132 | 152.5 Ų | 152.5 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | | | trans | -57.5 | 105.6 | 176 | 173.1 | 0 | 0 | 0 | 0 | 110 | R560 | V558-R560 PolarHBondContact O-N 2.85Å; V558-R560 VanDerWaalsContact O-N 3.14Å |
| 559 | R | 52.5 | Low | 49.7 | Very low | 244 Ų | 244 | 149.8 Ų | 149.8 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | | | trans | -70 | 102.9 | 162.3 | -81.2 | -166.9 | 175.3 | -170.2 | -0.3 | 108.2 | P557 S561 | P557-R559 PolarHBondContact O-N 3.23Å; R559-S561 PolarHBondContact O-N 2.94Å; R559-S561 VanDerWaalsContact O-N 3.11Å |
| 560 | R | 50.8 | Low | 49.3 | Very low | 226 Ų | 226 | 149 Ų | 149 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | | | trans | -62.5 | 105.7 | 162.6 | -75.1 | 169.6 | 80.7 | 165.6 | 2.4 | 107.7 | V558 L562 | V558-R560 PolarHBondContact O-N 2.85Å; V558-R560 VanDerWaalsContact O-N 3.14Å; R560-L562 PolarHBondContact O-N 3.13Å |
| 561 | S | 54.3 | Low | 49.5 | Very low | 110 Ų | 110 | 150 Ų | 150 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 123.3 | 161.1 | 45.2 | 0 | 0 | 0 | 0 | 108 | R559 | R559-S561 PolarHBondContact O-N 2.94Å; R559-S561 VanDerWaalsContact O-N 3.11Å |
| 562 | L | 58.4 | Low | 50.1 | Low | 157 Ų | 157 | 147.8 Ų | 147.8 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 134 | 169.9 | -67.5 | 173.1 | 0 | 0 | 0 | 108.5 | R560 | R560-L562 PolarHBondContact O-N 3.13Š|
| 563 | P | 53.9 | Low | 50.3 | Low | 119 Ų | 119 | 147 Ų | 147 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 142.2 | 172.7 | -15.1 | 28.6 | 0 | 0 | 0 | 110.7 | | |
| 564 | A | 54 | Low | 51.5 | Low | 87 Ų | 87 | 141.1 Ų | 141.1 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 145.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | K566 | A564-K566 PolarHBondContact O-N 2.93Š|
| 565 | P | 55 | Low | 52.5 | Low | 125 Ų | 125 | 137.5 Ų | 137.5 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 127.2 | -179.9 | 26.7 | -31.4 | 0 | 0 | 0 | 110.1 | T567 | P565-T567 PolarHBondContact O-N 3.27Š|
| 566 | K | 52.5 | Low | 53.7 | Low | 189 Ų | 189 | 141.5 Ų | 141.5 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 126.4 | 172.5 | -78.2 | 171.3 | 173.6 | 172.8 | 0 | 109.5 | A564 Y568 | A564-K566 PolarHBondContact O-N 2.93Å; K566-Y568 PolarHBondContact O-N 3.16Å |
| 567 | T | 43.1 | Very low | 54.4 | Low | 142 Ų | 142 | 139 Ų | 139 | 87% | 0.871 | 74% | 0.736 | S | S | * | * | | | trans | -58.2 | 110.1 | 168.6 | -46 | 0 | 0 | 0 | 0 | 109.7 | P565 G569 | P565-T567 PolarHBondContact O-N 3.27Å; T567-G569 PolarHBondContact O-N 3.31Å |
| 568 | Y | 46.6 | Very low | 55.4 | Low | 182 Ų | 182 | 141.3 Ų | 141.3 | 71% | 0.714 | 74% | 0.742 | S | S | * | * | | | trans | -83 | 102.5 | 168.6 | -92.3 | -87.8 | 0 | 0 | 0 | 108.9 | K566 M571 | K566-Y568 PolarHBondContact O-N 3.16Å; Y568-M571 HydrophobicContact CD1-CE 3.18Å; Y568-M571 HydrophobicContact CD1-CG 4.33Å; Y568-M571 HydrophobicContact CD1-SD 3.58Å; Y568-M571 VanDerWaalsContact CD1-SD 3.58Å; Y568-M571 HydrophobicContact CE1-CE 3.46Å; Y568-M571 VanDerWaalsContact CE1-CE 3.46Å; Y568-M571 HydrophobicContact CE1-SD 3.61Å; Y568-M571 HydrophobicContact CG-CE 3.94Å |
| 569 | G | 41 | Very low | 56.1 | Low | 60 Ų | 60 | 137.8 Ų | 137.8 | 62% | 0.619 | 73% | 0.732 | S | S | * | * | | | trans | -78.5 | 139.1 | 161 | 0 | 0 | 0 | 0 | 0 | 110.4 | T567 | T567-G569 PolarHBondContact O-N 3.31Š|
| 570 | S | 44.4 | Very low | 56.1 | Low | 123 Ų | 123 | 132.6 Ų | 132.6 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | | | trans | 46.6 | 77.3 | 156.4 | -172.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 571 | M | 48.8 | Very low | 55.8 | Low | 129 Ų | 129 | 136.6 Ų | 136.6 | 64% | 0.635 | 75% | 0.749 | S | S | * | * | | | trans | -116.9 | 103.5 | 158.6 | -53.4 | -169.5 | -69.1 | 0 | 0 | 107.9 | Y568 D573 | Y568-M571 HydrophobicContact CD1-CE 3.18Å; Y568-M571 HydrophobicContact CD1-CG 4.33Å; Y568-M571 HydrophobicContact CD1-SD 3.58Å; Y568-M571 VanDerWaalsContact CD1-SD 3.58Å; Y568-M571 HydrophobicContact CE1-CE 3.46Å; Y568-M571 VanDerWaalsContact CE1-CE 3.46Å; Y568-M571 HydrophobicContact CE1-SD 3.61Å; Y568-M571 HydrophobicContact CG-CE 3.94Å; M571-D573 VanDerWaalsContact C-N 3.27Å; M571-D573 PolarHBondContact O-N 3.22Å; M571-D573 VanDerWaalsContact O-N 3.09Å |
| 572 | K | 57 | Low | 55.9 | Low | 194 Ų | 194 | 138 Ų | 138 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | | | trans | -79.7 | 80.7 | 176.3 | -148.3 | 166.4 | -175.6 | 178.1 | 0 | 106.3 | | |
| 573 | D | 57.2 | Low | 55.8 | Low | 106 Ų | 106 | 136.9 Ų | 136.9 | 57% | 0.567 | 74% | 0.744 | S | S | * | * | | | trans | -98.7 | 89.1 | -176.8 | -139.3 | -67.2 | 0 | 0 | 0 | 109 | M571 S575 | M571-D573 VanDerWaalsContact C-N 3.27Å; M571-D573 PolarHBondContact O-N 3.22Å; M571-D573 VanDerWaalsContact O-N 3.09Å; D573-S575 PolarHBondContact O-N 3.23Å; D573-S575 WeakPolarHBondContact OD1-CB 3.48Å; D573-S575 PolarHBondContact OD1-OG 3.35Å |
| 574 | D | 69.8 | Low | 55.9 | Low | 80 Ų | 80 | 137.9 Ų | 137.9 | 43% | 0.428 | 74% | 0.742 | S | S | . | * | | | trans | -76.1 | 16 | 173.8 | -85.7 | -70 | 0 | 0 | 0 | 112.6 | W576 K577 | D574-W576 PolarHBondContact O-N 3.41Å; D574-K577 PolarHBondContact O-N 3.3Å; D574-K577 VanDerWaalsContact OD1-CD 3.3Å; D574-K577 WeakPolarHBondContact OD1-CD 3.46Å; D574-K577 WeakPolarHBondContact OD1-CE 3.27Å |
| 575 | S | 67.1 | Low | 56 | Low | 94 Ų | 94 | 140.9 Ų | 140.9 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -6.8 | -179.7 | -69.2 | 0 | 0 | 0 | 0 | 115.1 | D573 | D573-S575 PolarHBondContact O-N 3.23Å; D573-S575 WeakPolarHBondContact OD1-CB 3.48Å; D573-S575 PolarHBondContact OD1-OG 3.35Å |
| 576 | W | 73.7 | Confident | 56 | Low | 186 Ų | 186 | 141.9 Ų | 141.9 | 71% | 0.705 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -10.2 | 175 | 65.4 | -82.4 | 0 | 0 | 0 | 113.6 | D574 | D574-W576 PolarHBondContact O-N 3.41Š|
| 577 | K | 68.5 | Low | 56.3 | Low | 123 Ų | 123 | 138.8 Ų | 138.8 | 54% | 0.535 | 73% | 0.734 | S | S | . | * | S | Bend | trans | -85.3 | -18.2 | -179.8 | -67.6 | -170.6 | -177.8 | -66.4 | 0 | 114 | D574 | D574-K577 PolarHBondContact O-N 3.3Å; D574-K577 VanDerWaalsContact OD1-CD 3.3Å; D574-K577 WeakPolarHBondContact OD1-CD 3.46Å; D574-K577 WeakPolarHBondContact OD1-CE 3.27Å |
| 578 | D | 68.4 | Low | 57.2 | Low | 160 Ų | 160 | 138.6 Ų | 138.6 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -95.1 | 15 | -175.3 | -78.1 | -29.3 | 0 | 0 | 0 | 114.7 | | |
| 579 | G | 61 | Low | 58 | Low | 57 Ų | 57 | 135.2 Ų | 135.2 | 59% | 0.588 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -135.5 | 68.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 580 | C | 51.9 | Low | 59.5 | Low | 135 Ų | 135 | 141.5 Ų | 141.5 | 91% | 0.912 | 73% | 0.734 | S | S | * | * | | | trans | 173.8 | 104.3 | 149.8 | -91.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 581 | Y | 45.6 | Very low | 60.8 | Low | 311 Ų | 311 | 143.2 Ų | 143.2 | 100% | 1.22 | 72% | 0.722 | S | S | * | * | | | trans | -134.4 | 0 | 161.5 | -126.3 | -80.9 | 0 | 0 | 0 | 108.9 | | |