| 1 | M | 55 | Low | 57.6 | Low | 245 Ų | 245 | 126.5 Ų | 126.5 | 100% | 1.207 | 84% | 0.837 | S | S | * | * | | | | 0 | 113 | 0 | -72.1 | -168.9 | 167.6 | 0 | 0 | 106 | | |
| 2 | D | 53.4 | Low | 57.3 | Low | 172 Ų | 172 | 125 Ų | 125 | 92% | 0.92 | 83% | 0.83 | S | S | * | * | | | trans | -66.9 | 126.2 | -165.1 | -81.2 | -47 | 0 | 0 | 0 | 113.2 | G4 | D2-G4 PolarHBondContact O-N 3.35Š|
| 3 | A | 57.8 | Low | 57.1 | Low | 100 Ų | 100 | 131.9 Ų | 131.9 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | | | trans | -84.8 | 94 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | S5 | A3-S5 PolarHBondContact O-N 3.28Š|
| 4 | G | 55.7 | Low | 57.1 | Low | 75 Ų | 75 | 130.8 Ų | 130.8 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | | | trans | -76.5 | 114.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D2 G6 | D2-G4 PolarHBondContact O-N 3.35Å; G4-G6 PolarHBondContact O-N 3.47Å |
| 5 | S | 62.4 | Low | 57.3 | Low | 125 Ų | 125 | 129.5 Ų | 129.5 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | | | trans | -63.2 | 112.8 | 172 | -60.3 | 0 | 0 | 0 | 0 | 111.7 | A3 S7 | A3-S5 PolarHBondContact O-N 3.28Å; S5-S7 PolarHBondContact O-N 3.45Å |
| 6 | G | 60.4 | Low | 57.9 | Low | 75 Ų | 75 | 125.9 Ų | 125.9 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -80.7 | 106.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | G4 T8 | G4-G6 PolarHBondContact O-N 3.47Å; G6-T8 PolarHBondContact O-N 3.43Å |
| 7 | S | 61.4 | Low | 58.4 | Low | 110 Ų | 110 | 127.2 Ų | 127.2 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | -70 | 117.8 | 171.3 | 178.4 | 0 | 0 | 0 | 0 | 110.4 | S5 Q9 | S5-S7 PolarHBondContact O-N 3.45Å; S7-Q9 PolarHBondContact O-N 3Å |
| 8 | T | 65.8 | Low | 59.5 | Low | 136 Ų | 136 | 122.3 Ų | 122.3 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | | | trans | -81.6 | 87.8 | 169.2 | 42.7 | 0 | 0 | 0 | 0 | 109.4 | G6 S10 | G6-T8 PolarHBondContact O-N 3.43Å; T8-S10 PolarHBondContact O-N 2.83Å |
| 9 | Q | 53.2 | Low | 60.4 | Low | 182 Ų | 182 | 121.5 Ų | 121.5 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | | | trans | -64.1 | 105.4 | 161.9 | -94.6 | -172.7 | -17.9 | 0 | 0 | 108.4 | S7 G11 | S7-Q9 PolarHBondContact O-N 3Å; Q9-G11 PolarHBondContact O-N 3.23Å |
| 10 | S | 53.2 | Low | 61.6 | Low | 117 Ų | 117 | 120.1 Ų | 120.1 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | | | trans | -64.5 | 101.7 | 166.8 | 66 | 0 | 0 | 0 | 0 | 108.3 | T8 S12 | T8-S10 PolarHBondContact O-N 2.83Å; S10-S12 PolarHBondContact O-N 3.06Å; S10-S12 VanDerWaalsContact O-N 3.11Å |
| 11 | G | 55.2 | Low | 62.9 | Low | 54 Ų | 54 | 120.5 Ų | 120.5 | 56% | 0.557 | 73% | 0.727 | S | S | * | * | | | trans | -60.8 | 112 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q9 Y13 | Q9-G11 PolarHBondContact O-N 3.23Å; G11-Y13 WeakPolarHBondContact O-CD2 3.32Å; G11-Y13 PolarHBondContact O-N 3.23Å |
| 12 | S | 53.8 | Low | 64.3 | Low | 109 Ų | 109 | 117 Ų | 117 | 76% | 0.762 | 70% | 0.7 | S | S | * | * | | | trans | -62.2 | 102.7 | 165.2 | 174.2 | 0 | 0 | 0 | 0 | 107.7 | S10 N14 | S10-S12 PolarHBondContact O-N 3.06Å; S10-S12 VanDerWaalsContact O-N 3.11Å; S12-N14 PolarHBondContact O-N 3.3Å |
| 13 | Y | 54.8 | Low | 65.9 | Low | 215 Ų | 215 | 111.4 Ų | 111.4 | 84% | 0.843 | 68% | 0.677 | S | S | * | * | | | trans | -64 | 114.5 | 170.4 | -70.6 | -88 | 0 | 0 | 0 | 107.7 | G11 L15 | G11-Y13 WeakPolarHBondContact O-CD2 3.32Å; G11-Y13 PolarHBondContact O-N 3.23Å; Y13-L15 PolarHBondContact O-N 2.75Å |
| 14 | N | 57.1 | Low | 67.5 | Low | 116 Ų | 116 | 111.2 Ų | 111.2 | 62% | 0.62 | 66% | 0.662 | S | S | * | * | | | trans | -64.4 | 95.1 | 175.4 | -98.5 | -63.3 | 0 | 0 | 0 | 109.2 | S12 A16 K17 | S12-N14 PolarHBondContact O-N 3.3Å; N14-A16 PolarHBondContact O-N 3.4Å; N14-K17 PolarHBondContact O-N 3.34Å |
| 15 | L | 60 | Low | 69.1 | Low | 111 Ų | 111 | 113.3 Ų | 113.3 | 58% | 0.581 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -52.9 | -27.8 | -179.3 | -142.4 | 80.2 | 0 | 0 | 0 | 113.2 | Y13 K17 S18 D19 | Y13-L15 PolarHBondContact O-N 2.75Å; L15-K17 VanDerWaalsContact C-N 3.27Å; L15-K17 PolarHBondContact O-N 3.43Å; L15-S18 PolarHBondContact O-N 3.11Å; L15-S18 PolarHBondContact O-OG 3Å; L15-D19 PolarHBondContact O-N 3.26Å |
| 16 | A | 67.8 | Low | 70.5 | Confident | 72 Ų | 72 | 109.8 Ų | 109.8 | 60% | 0.595 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.8 | -25.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N14 | N14-A16 PolarHBondContact O-N 3.4Å |
| 17 | K | 66.1 | Low | 71.9 | Confident | 149 Ų | 149 | 113 Ų | 113 | 65% | 0.648 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -74.7 | -32.7 | 175.9 | -73.7 | -172.5 | 177.1 | -175.9 | 0 | 111.8 | N14 L15 E21 | N14-K17 PolarHBondContact O-N 3.34Å; L15-K17 VanDerWaalsContact C-N 3.27Å; L15-K17 PolarHBondContact O-N 3.43Å; K17-E21 WeakPolarHBondContact O-CG 3.45Å; K17-E21 PolarHBondContact O-N 2.77Å |
| 18 | S | 77.6 | Confident | 73.4 | Confident | 38 Ų | 38 | 113.5 Ų | 113.5 | 27% | 0.266 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -69.2 | -37.2 | 179.2 | 52 | 0 | 0 | 0 | 0 | 112.2 | L15 V20 E21 W22 | L15-S18 PolarHBondContact O-N 3.11Å; L15-S18 PolarHBondContact O-OG 3Å; S18-V20 PolarHBondContact O-N 3.07Å; S18-E21 PolarHBondContact O-N 2.92Å; S18-W22 WeakPolarHBondContact O-CB 3.33Å; S18-W22 PolarHBondContact O-N 3.31Å |
| 19 | D | 77.5 | Confident | 74.6 | Confident | 108 Ų | 108 | 114.5 Ų | 114.5 | 58% | 0.578 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.5 | -38.2 | -177.5 | -71.2 | -7.3 | 0 | 0 | 0 | 112.6 | L15 W22 A23 | L15-D19 PolarHBondContact O-N 3.26Å; D19-W22 PolarHBondContact O-N 3.04Å; D19-A23 WeakPolarHBondContact O-CB 3.38Å; D19-A23 PolarHBondContact O-N 3.17Å |
| 20 | V | 83.9 | Confident | 76.4 | Confident | 92 Ų | 92 | 110 Ų | 110 | 56% | 0.558 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68 | -43.9 | 175.2 | 179.9 | 0 | 0 | 0 | 0 | 110.7 | S18 W22 A23 D24 | S18-V20 PolarHBondContact O-N 3.07Å; V20-W22 VanDerWaalsContact C-N 3.32Å; V20-W22 PolarHBondContact O-N 2.98Å; V20-A23 PolarHBondContact O-N 2.89Å; V20-D24 PolarHBondContact O-N 3.25Å |
| 21 | E | 88.8 | Confident | 78.4 | Confident | 130 Ų | 130 | 106 Ų | 106 | 61% | 0.607 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.4 | -37.2 | 176 | -74 | 180 | 175.4 | 0 | 0 | 112.2 | K17 S18 M25 | K17-E21 WeakPolarHBondContact O-CG 3.45Å; K17-E21 PolarHBondContact O-N 2.77Å; S18-E21 PolarHBondContact O-N 2.92Å; E21-M25 VanDerWaalsContact O-CB 3.28Å; E21-M25 WeakPolarHBondContact O-CB 3.28Å; E21-M25 PolarHBondContact O-N 3.49Å |
| 22 | W | 84.1 | Confident | 80.1 | Confident | 172 Ų | 172 | 106 Ų | 106 | 65% | 0.652 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.2 | -42.7 | 174.5 | -85.9 | 111.2 | 0 | 0 | 0 | 112.1 | S18 D19 V20 M25 A26 | S18-W22 WeakPolarHBondContact O-CB 3.33Å; S18-W22 PolarHBondContact O-N 3.31Å; D19-W22 PolarHBondContact O-N 3.04Å; V20-W22 VanDerWaalsContact C-N 3.32Å; V20-W22 PolarHBondContact O-N 2.98Å; W22-M25 PolarHBondContact O-N 2.77Å; W22-A26 WeakPolarHBondContact O-CB 3.47Å; W22-A26 PolarHBondContact O-N 3.27Å |
| 23 | A | 87 | Confident | 81.8 | Confident | 53 Ų | 53 | 106.7 Ų | 106.7 | 44% | 0.438 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D19 V20 M25 A26 Q27 | D19-A23 WeakPolarHBondContact O-CB 3.38Å; D19-A23 PolarHBondContact O-N 3.17Å; V20-A23 PolarHBondContact O-N 2.89Å; A23-M25 PolarHBondContact O-N 3.29Å; A23-A26 PolarHBondContact O-N 3.41Å; A23-Q27 WeakPolarHBondContact O-CB 3.36Å; A23-Q27 PolarHBondContact O-N 3.4Å |
| 24 | D | 90.9 | Very high | 83.5 | Confident | 96 Ų | 96 | 102.6 Ų | 102.6 | 51% | 0.513 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 176.4 | -78.5 | -14.2 | 0 | 0 | 0 | 111.8 | V20 Q27 N28 | V20-D24 PolarHBondContact O-N 3.25Å; D24-Q27 PolarHBondContact O-N 3.47Å; D24-N28 WeakPolarHBondContact O-CB 3.4Å; D24-N28 VanDerWaalsContact O-CG 3.28Å; D24-N28 PolarHBondContact O-N 3.35Å; D24-N28 PolarHBondContact O-ND2 3.49Å |
| 25 | M | 91.1 | Very high | 85.1 | Confident | 119 Ų | 119 | 103.5 Ų | 103.5 | 59% | 0.586 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.7 | -42.6 | 175.9 | -168.9 | -179.5 | -59.5 | 0 | 0 | 111.9 | E21 W22 A23 Q27 N28 W29 | E21-M25 VanDerWaalsContact O-CB 3.28Å; E21-M25 WeakPolarHBondContact O-CB 3.28Å; E21-M25 PolarHBondContact O-N 3.49Å; W22-M25 PolarHBondContact O-N 2.77Å; A23-M25 PolarHBondContact O-N 3.29Å; M25-Q27 VanDerWaalsContact C-N 3.35Å; M25-N28 PolarHBondContact O-N 3.28Å; M25-W29 WeakPolarHBondContact O-CB 3.33Å; M25-W29 PolarHBondContact O-N 3.44Å |
| 26 | A | 90 | Very high | 86.3 | Confident | 51 Ų | 51 | 103.6 Ų | 103.6 | 42% | 0.421 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | W22 A23 W29 I30 | W22-A26 WeakPolarHBondContact O-CB 3.47Å; W22-A26 PolarHBondContact O-N 3.27Å; A23-A26 PolarHBondContact O-N 3.41Å; A26-W29 PolarHBondContact O-N 2.98Å; A26-I30 VanDerWaalsContact O-CG1 3.31Å; A26-I30 WeakPolarHBondContact O-CG1 3.37Å; A26-I30 PolarHBondContact O-N 3.48Å |
| 27 | Q | 90.8 | Very high | 87.2 | Confident | 143 Ų | 143 | 106.8 Ų | 106.8 | 67% | 0.668 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.5 | -40.1 | 179 | -159.1 | 136.3 | -19 | 0 | 0 | 112.1 | A23 D24 M25 W29 I30 G31 | A23-Q27 WeakPolarHBondContact O-CB 3.36Å; A23-Q27 PolarHBondContact O-N 3.4Å; D24-Q27 PolarHBondContact O-N 3.47Å; M25-Q27 VanDerWaalsContact C-N 3.35Å; Q27-W29 VanDerWaalsContact C-N 3.34Å; Q27-I30 PolarHBondContact O-N 3.34Å; Q27-G31 PolarHBondContact O-N 3.41Å |
| 28 | N | 93.5 | Very high | 88.1 | Confident | 120 Ų | 120 | 103.6 Ų | 103.6 | 64% | 0.642 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.1 | -40.7 | 171.8 | -76.6 | -24.5 | 0 | 0 | 0 | 111.9 | D24 M25 G31 A32 | D24-N28 WeakPolarHBondContact O-CB 3.4Å; D24-N28 VanDerWaalsContact O-CG 3.28Å; D24-N28 PolarHBondContact O-N 3.35Å; D24-N28 PolarHBondContact O-ND2 3.49Å; M25-N28 PolarHBondContact O-N 3.28Å; N28-G31 PolarHBondContact O-N 2.97Å; N28-A32 WeakPolarHBondContact O-CB 3.35Å; N28-A32 PolarHBondContact O-N 3.29Å |
| 29 | W | 90.4 | Very high | 88.4 | Confident | 158 Ų | 158 | 109 Ų | 109 | 60% | 0.598 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.2 | -43.5 | 176.6 | -176 | 84.4 | 0 | 0 | 0 | 112.4 | M25 A26 Q27 G31 A32 R33 | M25-W29 WeakPolarHBondContact O-CB 3.33Å; M25-W29 PolarHBondContact O-N 3.44Å; A26-W29 PolarHBondContact O-N 2.98Å; Q27-W29 VanDerWaalsContact C-N 3.34Å; W29-G31 PolarHBondContact O-N 3.32Å; W29-A32 PolarHBondContact O-N 2.94Å; W29-R33 WeakPolarHBondContact O-CB 3.31Å; W29-R33 PolarHBondContact O-N 3.34Å |
| 30 | I | 91.6 | Very high | 88.7 | Confident | 88 Ų | 88 | 106.7 Ų | 106.7 | 45% | 0.451 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 174.5 | -67.7 | 165.9 | 0 | 0 | 0 | 110.5 | A26 Q27 R33 Q34 | A26-I30 VanDerWaalsContact O-CG1 3.31Å; A26-I30 WeakPolarHBondContact O-CG1 3.37Å; A26-I30 PolarHBondContact O-N 3.48Å; Q27-I30 PolarHBondContact O-N 3.34Å; I30-R33 PolarHBondContact O-N 3.5Å; I30-Q34 WeakPolarHBondContact O-CG 3.42Å; I30-Q34 PolarHBondContact O-N 2.81Å |
| 31 | G | 93.8 | Very high | 88.5 | Confident | 31 Ų | 31 | 107.8 Ų | 107.8 | 32% | 0.32 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61 | -46.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q27 N28 W29 R33 Q34 Q35 | Q27-G31 PolarHBondContact O-N 3.41Å; N28-G31 PolarHBondContact O-N 2.97Å; W29-G31 PolarHBondContact O-N 3.32Å; G31-R33 VanDerWaalsContact C-N 3.33Å; G31-R33 PolarHBondContact O-N 2.9Å; G31-Q34 PolarHBondContact O-N 3.38Å; G31-Q35 WeakPolarHBondContact O-CG 3.4Å; G31-Q35 PolarHBondContact O-N 3.33Å |
| 32 | A | 91.8 | Very high | 87.2 | Confident | 56 Ų | 56 | 107.4 Ų | 107.4 | 46% | 0.463 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.3 | -40 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | N28 W29 Q35 H36 | N28-A32 WeakPolarHBondContact O-CB 3.35Å; N28-A32 PolarHBondContact O-N 3.29Å; W29-A32 PolarHBondContact O-N 2.94Å; A32-Q35 PolarHBondContact O-N 3.28Å; A32-H36 PolarHBondContact O-N 3.44Å |
| 33 | R | 89.2 | Confident | 85.8 | Confident | 123 Ų | 123 | 102.3 Ų | 102.3 | 46% | 0.464 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.9 | -40 | 177.7 | -167.6 | 175.2 | 179.5 | -173.7 | -3.1 | 112.3 | W29 I30 G31 H36 Y37 | W29-R33 WeakPolarHBondContact O-CB 3.31Å; W29-R33 PolarHBondContact O-N 3.34Å; I30-R33 PolarHBondContact O-N 3.5Å; G31-R33 VanDerWaalsContact C-N 3.33Å; G31-R33 PolarHBondContact O-N 2.9Å; R33-H36 WeakPolarHBondContact O-CB 3.41Å; R33-H36 PolarHBondContact O-N 3.45Å; R33-Y37 HydrophobicContact CG-CD2 4.04Å; R33-Y37 HydrophobicContact CG-CE2 3.75Å; R33-Y37 PolarHBondContact NH2-OH 2.9Å; R33-Y37 WeakPolarHBondContact O-CD2 3.48Å; R33-Y37 PolarHBondContact O-N 3.45Å |
| 34 | Q | 91 | Very high | 84.1 | Confident | 129 Ų | 129 | 109 Ų | 109 | 60% | 0.603 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64 | -40.4 | 173.8 | -73.4 | 178.6 | 8.5 | 0 | 0 | 111.9 | I30 G31 H36 Y37 A38 | I30-Q34 WeakPolarHBondContact O-CG 3.42Å; I30-Q34 PolarHBondContact O-N 2.81Å; G31-Q34 PolarHBondContact O-N 3.38Å; Q34-H36 VanDerWaalsContact C-N 3.34Å; Q34-Y37 PolarHBondContact O-N 3.39Å; Q34-A38 WeakPolarHBondContact O-CB 3.45Å; Q34-A38 PolarHBondContact O-N 2.86Å |
| 35 | Q | 90 | Very high | 82.7 | Confident | 134 Ų | 134 | 109.6 Ų | 109.6 | 63% | 0.626 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -61.7 | -42.1 | 172.4 | -74.1 | -176.5 | -10.9 | 0 | 0 | 111.7 | G31 A32 A38 M39 | G31-Q35 WeakPolarHBondContact O-CG 3.4Å; G31-Q35 PolarHBondContact O-N 3.33Å; A32-Q35 PolarHBondContact O-N 3.28Å; Q35-A38 PolarHBondContact O-N 3.44Å; Q35-M39 WeakPolarHBondContact O-CG 3.44Å; Q35-M39 PolarHBondContact O-N 2.96Å |
| 36 | H | 86.2 | Confident | 81.1 | Confident | 114 Ų | 114 | 110 Ų | 110 | 53% | 0.528 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.3 | -44.8 | 175.9 | -168.8 | -80.3 | 0 | 0 | 0 | 111.7 | A32 R33 Q34 M39 S40 | A32-H36 PolarHBondContact O-N 3.44Å; R33-H36 WeakPolarHBondContact O-CB 3.41Å; R33-H36 PolarHBondContact O-N 3.45Å; Q34-H36 VanDerWaalsContact C-N 3.34Å; H36-M39 PolarHBondContact O-N 3.41Å; H36-S40 PolarHBondContact CE1-OG 2.9Å; H36-S40 PolarHBondContact ND1-OG 2.89Å; H36-S40 VanDerWaalsContact ND1-OG 3.14Å; H36-S40 VanDerWaalsContact O-CB 3.24Å; H36-S40 WeakPolarHBondContact O-CB 3.39Å; H36-S40 PolarHBondContact O-N 3.31Å; H36-S40 PolarHBondContact O-OG 2.79Å |
| 37 | Y | 84.8 | Confident | 79.4 | Confident | 139 Ų | 139 | 113 Ų | 113 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -61.8 | -42.6 | 174.3 | -80.1 | -66.4 | 0 | 0 | 0 | 112.3 | R33 Q34 M39 S40 D41 | R33-Y37 HydrophobicContact CG-CD2 4.04Å; R33-Y37 HydrophobicContact CG-CE2 3.75Å; R33-Y37 PolarHBondContact NH2-OH 2.9Å; R33-Y37 WeakPolarHBondContact O-CD2 3.48Å; R33-Y37 PolarHBondContact O-N 3.45Å; Q34-Y37 PolarHBondContact O-N 3.39Å; Y37-M39 VanDerWaalsContact C-N 3.27Å; Y37-M39 PolarHBondContact O-N 2.95Å; Y37-S40 PolarHBondContact O-N 2.93Å; Y37-D41 PolarHBondContact O-N 3.37Å |
| 38 | A | 85.7 | Confident | 77.4 | Confident | 82 Ų | 82 | 111.6 Ų | 111.6 | 68% | 0.678 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.1 | -30.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q34 Q35 | Q34-A38 WeakPolarHBondContact O-CB 3.45Å; Q34-A38 PolarHBondContact O-N 2.86Å; Q35-A38 PolarHBondContact O-N 3.44Å |
| 39 | M | 84.4 | Confident | 75.4 | Confident | 151 Ų | 151 | 116 Ų | 116 | 74% | 0.744 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -83.6 | -26 | 174.5 | -68.6 | -172.6 | -57.6 | 0 | 0 | 113.3 | Q35 H36 Y37 | Q35-M39 WeakPolarHBondContact O-CG 3.44Å; Q35-M39 PolarHBondContact O-N 2.96Å; H36-M39 PolarHBondContact O-N 3.41Å; Y37-M39 VanDerWaalsContact C-N 3.27Å; Y37-M39 PolarHBondContact O-N 2.95Å |
| 40 | S | 84.6 | Confident | 73.5 | Confident | 59 Ų | 59 | 111.7 Ų | 111.7 | 41% | 0.413 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -93 | -10.9 | -175.6 | -52 | 0 | 0 | 0 | 0 | 113.3 | H36 Y37 P42 | H36-S40 PolarHBondContact CE1-OG 2.9Å; H36-S40 PolarHBondContact ND1-OG 2.89Å; H36-S40 VanDerWaalsContact ND1-OG 3.14Å; H36-S40 VanDerWaalsContact O-CB 3.24Å; H36-S40 WeakPolarHBondContact O-CB 3.39Å; H36-S40 PolarHBondContact O-N 3.31Å; H36-S40 PolarHBondContact O-OG 2.79Å; Y37-S40 PolarHBondContact O-N 2.93Å; S40-P42 WeakPolarHBondContact O-CD 3.24Å; S40-P42 WeakPolarHBondContact O-CG 3.5Å |
| 41 | D | 77.8 | Confident | 71.6 | Confident | 115 Ų | 115 | 115.6 Ų | 115.6 | 62% | 0.615 | 65% | 0.649 | S | S | * | * | | | trans | -67.4 | 108.4 | 178.6 | -161.6 | -11.4 | 0 | 0 | 0 | 109.8 | Y37 A43 | Y37-D41 PolarHBondContact O-N 3.37Å; D41-A43 PolarHBondContact O-N 3.39Å; D41-A43 VanDerWaalsContact O-N 3.07Å; D41-A43 WeakPolarHBondContact OD1-CB 3.21Å |
| 42 | P | 62.1 | Low | 69.8 | Low | 123 Ų | 123 | 119.8 Ų | 119.8 | 80% | 0.799 | 67% | 0.673 | S | S | * | * | | | trans | -76.7 | 10 | -174.1 | -8.5 | 26.8 | 0 | 0 | 0 | 113.4 | S40 F44 | S40-P42 WeakPolarHBondContact O-CD 3.24Å; S40-P42 WeakPolarHBondContact O-CG 3.5Å; P42-F44 PolarHBondContact O-N 2.94Å |
| 43 | A | 54.9 | Low | 67.3 | Low | 64 Ų | 64 | 128.3 Ų | 128.3 | 53% | 0.529 | 69% | 0.693 | S | S | . | * | | | trans | -86.4 | 62.6 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D41 | D41-A43 PolarHBondContact O-N 3.39Å; D41-A43 VanDerWaalsContact O-N 3.07Å; D41-A43 WeakPolarHBondContact OD1-CB 3.21Å |
| 44 | F | 50.5 | Low | 65.3 | Low | 195 Ų | 195 | 129.3 Ų | 129.3 | 86% | 0.855 | 71% | 0.713 | S | S | * | * | | | trans | -160 | 100.9 | 150 | -97.4 | -73.4 | 0 | 0 | 0 | 110.2 | P42 | P42-F44 PolarHBondContact O-N 2.94Š|
| 45 | P | 62.6 | Low | 63.1 | Low | 108 Ų | 108 | 128.6 Ų | 128.6 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | | | trans | -66.2 | 138.3 | 160.3 | 28.4 | -31.1 | 0 | 0 | 0 | 108.4 | S47 | P45-S47 PolarHBondContact O-N 2.99Š|
| 46 | P | 58.2 | Low | 61 | Low | 127 Ų | 127 | 128.8 Ų | 128.8 | 83% | 0.825 | 73% | 0.733 | S | S | * | * | | | trans | -62.3 | 110.8 | 174.3 | 24.5 | -31.5 | 0 | 0 | 0 | 109.1 | S48 | P46-S48 VanDerWaalsContact C-N 3.3Å; P46-S48 PolarHBondContact O-N 3.45Å |
| 47 | S | 52.5 | Low | 58.9 | Low | 114 Ų | 114 | 128.2 Ų | 128.2 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | | | trans | -71.1 | 86.6 | 173.5 | 73 | 0 | 0 | 0 | 0 | 109.5 | P45 Y49 | P45-S47 PolarHBondContact O-N 2.99Å; S47-Y49 VanDerWaalsContact C-N 3.32Å; S47-Y49 PolarHBondContact O-N 3.34Å |
| 48 | S | 50.5 | Low | 57.2 | Low | 113 Ų | 113 | 127 Ų | 127 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | | | trans | -88.1 | 73.5 | 165.7 | 177.5 | 0 | 0 | 0 | 0 | 109.4 | P46 G50 | P46-S48 VanDerWaalsContact C-N 3.3Å; P46-S48 PolarHBondContact O-N 3.45Å; S48-G50 PolarHBondContact O-N 3.5Å |
| 49 | Y | 50.5 | Low | 55.2 | Low | 213 Ų | 213 | 132.7 Ų | 132.7 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | | | trans | -90.5 | 86.4 | 160.8 | -106 | -83.3 | 0 | 0 | 0 | 108.1 | S47 | S47-Y49 VanDerWaalsContact C-N 3.32Å; S47-Y49 PolarHBondContact O-N 3.34Å |
| 50 | G | 50.3 | Low | 53.6 | Low | 68 Ų | 68 | 130.8 Ų | 130.8 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | | | trans | -124.7 | 81 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | S48 | S48-G50 PolarHBondContact O-N 3.5Š|
| 51 | E | 51.6 | Low | 51.8 | Low | 169 Ų | 169 | 137.6 Ų | 137.6 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | | | trans | -115.9 | 83 | -177.5 | -156.1 | 153.6 | -164.2 | 0 | 0 | 109.8 | | |
| 52 | S | 56.3 | Low | 50 | Low | 119 Ų | 119 | 139.4 Ų | 139.4 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | -99.4 | 112.1 | 161.2 | 42.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 53 | R | 40.1 | Very low | 49.2 | Very low | 236 Ų | 236 | 142.5 Ų | 142.5 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | | | trans | -58.7 | 136.7 | 179.7 | -64.6 | 176.5 | 166.6 | -158.5 | -4.6 | 112.4 | | |
| 54 | T | 47.3 | Very low | 48.4 | Very low | 144 Ų | 144 | 146.2 Ų | 146.2 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | | | trans | -154.9 | 130.8 | 131.3 | 13.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 55 | S | 44.3 | Very low | 48 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | -56 | 144.2 | 179.1 | -29.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 56 | V | 45.9 | Very low | 47 | Very low | 139 Ų | 139 | 143 Ų | 143 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | | | | -175.8 | 138.6 | 122 | 170.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 57 | S | 43.3 | Very low | 46.1 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | | | trans | -53.3 | 142 | 179.6 | 58.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 58 | S | 47.3 | Very low | 45.5 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | | | | 166.5 | 122.7 | 105.9 | 43.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 59 | F | 44.9 | Very low | 45.2 | Very low | 201 Ų | 201 | 144 Ų | 144 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | | | trans | -55.1 | 160.2 | 166.2 | -83.6 | -77.9 | 0 | 0 | 0 | 111 | | |
| 60 | P | 50.4 | Low | 44.9 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | | | | -160 | 176.3 | 55.8 | 42 | -18.9 | 0 | 0 | 0 | 120.5 | | |
| 61 | R | 46.7 | Very low | 44.5 | Very low | 202 Ų | 202 | 142.3 Ų | 142.3 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | trans | 87.3 | 102.3 | 145.5 | -89.4 | 169.9 | -168.7 | -169.4 | 3.4 | 120.1 | Y63 | R61-Y63 HydrophobicContact CG-CE2 4.49Š|
| 62 | I | 40.8 | Very low | 44.2 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | -60.3 | 132.4 | 150.7 | -59.1 | 163.7 | 0 | 0 | 0 | 109.4 | | |
| 63 | Y | 44.9 | Very low | 43.6 | Very low | 189 Ų | 189 | 143.6 Ų | 143.6 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | | | trans | -135.4 | 116.3 | 150.9 | -89.6 | -81.8 | 0 | 0 | 0 | 109.1 | R61 | R61-Y63 HydrophobicContact CG-CE2 4.49Š|
| 64 | N | 38.5 | Very low | 43.9 | Very low | 142 Ų | 142 | 143 Ų | 143 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | | | trans | -93.8 | 145.4 | 161.2 | -95.2 | -20.7 | 0 | 0 | 0 | 108.1 | | |
| 65 | S | 40.6 | Very low | 43.8 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | trans | 61.2 | 143.3 | 176.2 | 76.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 66 | V | 41.3 | Very low | 44.4 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 76% | 0.758 | 77% | 0.774 | S | S | * | * | | | | -159 | 151.9 | 50.9 | -172.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 67 | S | 40.7 | Very low | 44.7 | Very low | 100 Ų | 100 | 141.9 Ų | 141.9 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | | | trans | -34.4 | 133.3 | 158.4 | -39.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 68 | D | 39.6 | Very low | 45 | Very low | 150 Ų | 150 | 147.3 Ų | 147.3 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | | | | 165.5 | 147 | 124.8 | -88.5 | -20.4 | 0 | 0 | 0 | 112.4 | | |
| 69 | V | 43.4 | Very low | 45 | Very low | 126 Ų | 126 | 145.4 Ų | 145.4 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | | | trans | 71.2 | 113.5 | 160.1 | -142.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 70 | I | 45.1 | Very low | 45.1 | Very low | 127 Ų | 127 | 141.6 Ų | 141.6 | 65% | 0.651 | 78% | 0.783 | S | S | * | * | | | | 171.8 | 107 | 102.3 | -76.1 | 158 | 0 | 0 | 0 | 107.8 | Y72 | I70-Y72 HydrophobicContact CG2-CD2 3.53Å; I70-Y72 HydrophobicContact CG2-CE2 3.6Å |
| 71 | S | 41.2 | Very low | 44.9 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | -68.6 | 121.8 | 162.6 | -52 | 0 | 0 | 0 | 0 | 109.4 | | |
| 72 | Y | 46.1 | Very low | 45 | Very low | 206 Ų | 206 | 142.7 Ų | 142.7 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | | | trans | -105.9 | 107.3 | 165.6 | -100.6 | -82.6 | 0 | 0 | 0 | 109.6 | I70 | I70-Y72 HydrophobicContact CG2-CD2 3.53Å; I70-Y72 HydrophobicContact CG2-CE2 3.6Å |
| 73 | S | 42.7 | Very low | 45.2 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | -83 | 112.9 | 169 | -35.9 | 0 | 0 | 0 | 0 | 109 | | |
| 74 | Y | 46.9 | Very low | 45.3 | Very low | 224 Ų | 224 | 135.2 Ų | 135.2 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 119.1 | 167.8 | -111.3 | -96.5 | 0 | 0 | 0 | 109.5 | | |
| 75 | S | 44.4 | Very low | 45.6 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 134.2 | 168.7 | -65 | 0 | 0 | 0 | 0 | 109.8 | | |
| 76 | P | 58.7 | Low | 46 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 128.7 | 173.2 | 31.5 | -28.5 | 0 | 0 | 0 | 110.8 | | |
| 77 | T | 51.8 | Low | 46.5 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 133.1 | 177.1 | 21.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 78 | K | 48.8 | Very low | 46.9 | Very low | 214 Ų | 214 | 137.3 Ų | 137.3 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 145.1 | 169.3 | -74.9 | 175.2 | 172.5 | 175.9 | 0 | 112.2 | | |
| 79 | G | 47 | Very low | 47.2 | Very low | 76 Ų | 76 | 133.9 Ų | 133.9 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | | | trans | 155.7 | 102.6 | 149.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 80 | S | 47.8 | Very low | 47.3 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | | | | 151.4 | 104.2 | 128.4 | -168.6 | 0 | 0 | 0 | 0 | 111 | | |
| 81 | S | 45.4 | Very low | 47.2 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | | | trans | -67.5 | 135.4 | 166 | -19.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 82 | Y | 48.7 | Very low | 47.2 | Very low | 226 Ų | 226 | 131.1 Ų | 131.1 | 89% | 0.886 | 81% | 0.81 | S | S | * | * | | | trans | -163.5 | 107 | 140.9 | -110.4 | -82.2 | 0 | 0 | 0 | 109.5 | | |
| 83 | S | 46.3 | Very low | 47.1 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | | | trans | 33.3 | 117.3 | 132 | 157.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 84 | G | 47.1 | Very low | 47.1 | Very low | 75 Ų | 75 | 133.6 Ų | 133.6 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | | | | 101.9 | 104.5 | 117.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 85 | G | 43.6 | Very low | 47.1 | Very low | 71 Ų | 71 | 127.6 Ų | 127.6 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | | | | 88.9 | 109.4 | 122.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 86 | V | 48.6 | Very low | 47 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | | | trans | 79.3 | 124.5 | 141.2 | -163.5 | 0 | 0 | 0 | 0 | 118.9 | | |
| 87 | P | 52 | Low | 46.3 | Very low | 112 Ų | 112 | 129 Ų | 129 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | | | trans | -103.2 | 173.8 | 173.8 | 39.7 | -31 | 0 | 0 | 0 | 113.4 | | |
| 88 | M | 48.8 | Very low | 45.8 | Very low | 194 Ų | 194 | 127.8 Ų | 127.8 | 96% | 0.956 | 81% | 0.808 | S | S | * | * | | | trans | 99 | 114.6 | 168.1 | -68.4 | -89 | -132 | 0 | 0 | 116.8 | | |
| 89 | G | 45.9 | Very low | 45.7 | Very low | 78 Ų | 78 | 122 Ų | 122 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | | | trans | 171.5 | 97.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 90 | A | 46 | Very low | 45.8 | Very low | 96 Ų | 96 | 126.6 Ų | 126.6 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | | | trans | -71.7 | 171.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 91 | S | 43.7 | Very low | 46 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | | | trans | 103.1 | 103.1 | 167.8 | -40.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 92 | S | 41 | Very low | 46.9 | Very low | 103 Ų | 103 | 129.7 Ų | 129.7 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | | | | 67.2 | 110.5 | 79.7 | -167.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 93 | L | 43.8 | Very low | 47.3 | Very low | 145 Ų | 145 | 125.2 Ų | 125.2 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | | | | 147.8 | 133 | 127.4 | -76.6 | 175.7 | 0 | 0 | 0 | 112.3 | | |
| 94 | Y | 43.7 | Very low | 48.2 | Very low | 223 Ų | 223 | 125.5 Ų | 125.5 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | | | trans | 84.6 | 142.9 | 143.3 | -102 | -103.3 | 0 | 0 | 0 | 122.3 | | |
| 95 | A | 45.8 | Very low | 49.2 | Very low | 97 Ų | 97 | 127.8 Ų | 127.8 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | | | trans | 74.7 | 111.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 96 | G | 43.4 | Very low | 49.8 | Very low | 65 Ų | 65 | 130.2 Ų | 130.2 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | | | cis | 105.1 | 93.8 | 35.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 97 | H | 43.4 | Very low | 50 | Low | 196 Ų | 196 | 135 Ų | 135 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | | | trans | -161.8 | 120.4 | 156.1 | -98.3 | -58.6 | 0 | 0 | 0 | 110.8 | | |
| 98 | S | 41.9 | Very low | 49.9 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | | | trans | -98 | 161.2 | 165.1 | -54.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 99 | A | 46.2 | Very low | 50.2 | Low | 92 Ų | 92 | 135.7 Ų | 135.7 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | | | trans | 87.7 | 112.9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 100 | L | 48.9 | Very low | 50.3 | Low | 173 Ų | 173 | 139 Ų | 139 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | | | | -173.6 | 100.3 | 116.1 | -87.4 | 177.9 | 0 | 0 | 0 | 107.9 | | |
| 101 | L | 51.6 | Low | 50.5 | Low | 174 Ų | 174 | 140.6 Ų | 140.6 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 138.4 | 163.8 | -84.7 | 162.7 | 0 | 0 | 0 | 108.9 | | |
| 102 | P | 65.3 | Low | 50.8 | Low | 119 Ų | 119 | 141.3 Ų | 141.3 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -95 | 127.1 | 156.9 | 12.2 | 6.1 | 0 | 0 | 0 | 110.9 | | |
| 103 | T | 56 | Low | 51.5 | Low | 132 Ų | 132 | 147.2 Ų | 147.2 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 144.6 | 171.3 | 31.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 104 | P | 65.6 | Low | 52.5 | Low | 117 Ų | 117 | 146.2 Ų | 146.2 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 149.8 | 164.2 | 32.7 | -31.3 | 0 | 0 | 0 | 112.3 | | |
| 105 | P | 67.8 | Low | 53.2 | Low | 124 Ų | 124 | 142.3 Ų | 142.3 | 81% | 0.805 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 166 | -177.7 | 32.3 | -34 | 0 | 0 | 0 | 113.4 | | |
| 106 | P | 56.5 | Low | 54.1 | Low | 121 Ų | 121 | 146.6 Ų | 146.6 | 79% | 0.786 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 150.2 | -150 | 32.3 | -34.6 | 0 | 0 | 0 | 115.3 | M108 | P106-M108 PolarHBondContact O-N 3.33Š|
| 107 | R | 51.7 | Low | 55.2 | Low | 245 Ų | 245 | 149 Ų | 149 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 124.3 | 169.8 | -78 | 175.6 | 164.2 | 153.2 | -4.4 | 112.1 | | |
| 108 | M | 51.7 | Low | 56.3 | Low | 185 Ų | 185 | 145.7 Ų | 145.7 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 139.4 | 160.4 | -79.2 | 179.2 | 57.6 | 0 | 0 | 110.7 | P106 | P106-M108 PolarHBondContact O-N 3.33Š|
| 109 | V | 54 | Low | 57 | Low | 134 Ų | 134 | 151.4 Ų | 151.4 | 81% | 0.812 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 137.4 | -171.2 | -166.1 | 0 | 0 | 0 | 0 | 110.3 | C111 | V109-C111 PolarHBondContact O-N 3.4Š|
| 110 | N | 48.2 | Very low | 57.5 | Low | 147 Ų | 147 | 155.4 Ų | 155.4 | 79% | 0.786 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 120.6 | 171.7 | -91.1 | -20.9 | 0 | 0 | 0 | 112.7 | V112 | N110-V112 HydrophobicContact CB-CG2 4.49Å; N110-V112 PolarHBondContact O-N 2.97Å |
| 111 | C | 49.3 | Very low | 57.6 | Low | 131 Ų | 131 | 152.9 Ų | 152.9 | 89% | 0.885 | 83% | 0.83 | S | S | * | * | | | trans | -89.7 | 92.8 | 158.9 | -70.8 | 0 | 0 | 0 | 0 | 109.1 | V109 R113 | V109-C111 PolarHBondContact O-N 3.4Å; C111-R113 PolarHBondContact O-N 2.96Å |
| 112 | V | 50.8 | Low | 57.5 | Low | 128 Ų | 128 | 150.5 Ų | 150.5 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | | | trans | -70.9 | 115 | 167.8 | 175.7 | 0 | 0 | 0 | 0 | 108.4 | N110 | N110-V112 HydrophobicContact CB-CG2 4.49Å; N110-V112 PolarHBondContact O-N 2.97Å |
| 113 | R | 56.4 | Low | 56.6 | Low | 228 Ų | 228 | 153.1 Ų | 153.1 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -74 | 141 | 168 | -96.9 | -176.7 | 177.9 | 172.9 | 0.5 | 110.3 | C111 | C111-R113 PolarHBondContact O-N 2.96Š|
| 114 | P | 64.1 | Low | 56.4 | Low | 124 Ų | 124 | 153.4 Ų | 153.4 | 81% | 0.805 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 134.1 | 174.7 | 18.2 | -11.3 | 0 | 0 | 0 | 111.6 | | |
| 115 | V | 59.1 | Low | 55.4 | Low | 140 Ų | 140 | 153.8 Ų | 153.8 | 85% | 0.848 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 127.4 | 170.3 | 174 | 0 | 0 | 0 | 0 | 109.1 | | |
| 116 | K | 63.8 | Low | 54.8 | Low | 188 Ų | 188 | 151.6 Ų | 151.6 | 82% | 0.817 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 140.7 | 167.6 | -92.6 | 178.8 | 173.7 | 176 | 0 | 110 | | |
| 117 | P | 67.2 | Low | 54.4 | Low | 115 Ų | 115 | 153.5 Ų | 153.5 | 75% | 0.747 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 148.6 | 173.8 | 31 | -32.9 | 0 | 0 | 0 | 111.2 | | |
| 118 | P | 66.7 | Low | 54.2 | Low | 127 Ų | 127 | 146.8 Ų | 146.8 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 139.2 | 174 | 31 | -30.8 | 0 | 0 | 0 | 110.7 | | |
| 119 | Y | 55.8 | Low | 53.9 | Low | 236 Ų | 236 | 143.8 Ų | 143.8 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68 | 139.8 | 175.6 | -159.2 | -97.4 | 0 | 0 | 0 | 110.5 | | |
| 120 | E | 56.6 | Low | 53.7 | Low | 176 Ų | 176 | 143.5 Ų | 143.5 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 148.5 | -177.3 | -70.9 | -170.6 | 153.8 | 0 | 0 | 113.4 | | |
| 121 | S | 52.1 | Low | 53.7 | Low | 120 Ų | 120 | 141.8 Ų | 141.8 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | | | trans | -91.8 | 114.5 | 173.9 | -168.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 122 | C | 49.2 | Very low | 53.7 | Low | 124 Ų | 124 | 141.4 Ų | 141.4 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | | | trans | -88.4 | 124.3 | 168.2 | 44.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 123 | M | 45.2 | Very low | 54.1 | Low | 174 Ų | 174 | 141.1 Ų | 141.1 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | | | trans | -60.7 | 146.4 | 174.5 | -61.2 | -157.4 | 155 | 0 | 0 | 112.4 | | |
| 124 | T | 51.7 | Low | 53.5 | Low | 138 Ų | 138 | 135 Ų | 135 | 85% | 0.847 | 80% | 0.799 | S | S | * | * | | | | -168.3 | 126.5 | 125.6 | -43.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 125 | P | 46.2 | Very low | 52.7 | Low | 125 Ų | 125 | 140.9 Ų | 140.9 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | | | trans | -98.2 | 135.4 | 168 | 33.7 | -24.8 | 0 | 0 | 0 | 111.4 | | |
| 126 | G | 55.5 | Low | 51.9 | Low | 78 Ų | 78 | 139.8 Ų | 139.8 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -154.9 | 109.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 127 | I | 46.7 | Very low | 51.6 | Low | 160 Ų | 160 | 139.4 Ų | 139.4 | 82% | 0.821 | 81% | 0.808 | S | S | * | * | | | trans | -120.3 | 142.2 | 168.5 | -61.5 | 176.7 | 0 | 0 | 0 | 102.7 | | |
| 128 | P | 48.6 | Very low | 50.6 | Low | 105 Ų | 105 | 139.3 Ų | 139.3 | 68% | 0.682 | 81% | 0.81 | S | S | * | * | | | | -159.5 | 157.2 | 64.1 | 45.2 | -22.6 | 0 | 0 | 0 | 121.7 | | |
| 129 | T | 44.5 | Very low | 49.4 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | | | trans | 74.8 | 148.7 | 134.6 | 43.3 | 0 | 0 | 0 | 0 | 124.7 | | |
| 130 | V | 50.8 | Low | 48.9 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | | | trans | 93 | 147.3 | 152.8 | -139 | 0 | 0 | 0 | 0 | 117.6 | | |
| 131 | P | 48.4 | Very low | 48.4 | Very low | 112 Ų | 112 | 140 Ų | 140 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | | | | -126.6 | 172 | -77.7 | 39.3 | -22.4 | 0 | 0 | 0 | 114.2 | | |
| 132 | V | 48.2 | Very low | 48.1 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 75% | 0.745 | 81% | 0.809 | S | S | * | * | | | trans | -67.7 | 158 | 176.2 | 178.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 133 | P | 60.4 | Low | 47.8 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | | | trans | -131 | 129.8 | 130.5 | 35 | -23.4 | 0 | 0 | 0 | 113.5 | | |
| 134 | S | 42.2 | Very low | 47.9 | Very low | 100 Ų | 100 | 143.6 Ų | 143.6 | 70% | 0.699 | 81% | 0.813 | S | S | * | * | | | trans | -65.6 | 137.5 | 174.2 | -19.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 135 | R | 47.9 | Very low | 47.5 | Very low | 246 Ų | 246 | 143.4 Ų | 143.4 | 93% | 0.928 | 81% | 0.812 | S | S | * | * | | | trans | -137.5 | 109.4 | 154 | -78.9 | -164.9 | 179 | -170.1 | 0.3 | 110.5 | | |
| 136 | C | 42.1 | Very low | 47.6 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | | | trans | -59.8 | 134.7 | 165.5 | -46.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 137 | L | 57.4 | Low | 47.3 | Very low | 181 Ų | 181 | 146.7 Ų | 146.7 | 95% | 0.948 | 81% | 0.806 | S | S | * | * | | | trans | -145.6 | 139.4 | 147.2 | -79.4 | -177 | 0 | 0 | 0 | 109.7 | | |
| 138 | S | 47.3 | Very low | 47.1 | Very low | 112 Ų | 112 | 146 Ų | 146 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | | | trans | -88.6 | 160.5 | -150.4 | -167.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 139 | S | 40.9 | Very low | 46.9 | Very low | 116 Ų | 116 | 147 Ų | 147 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | | | trans | -25.1 | 125.1 | 164.5 | -56.1 | 0 | 0 | 0 | 0 | 117.8 | | |
| 140 | R | 45.4 | Very low | 47 | Very low | 246 Ų | 246 | 146.4 Ų | 146.4 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | | | trans | -148.2 | 88.2 | 152.7 | -146.1 | 176.6 | -170.5 | -172.6 | 2.6 | 110.4 | A142 | R140-A142 PolarHBondContact O-N 2.95Š|
| 141 | M | 46.5 | Very low | 46.8 | Very low | 191 Ų | 191 | 150.8 Ų | 150.8 | 94% | 0.941 | 82% | 0.819 | S | S | * | * | | | trans | -68.8 | 123.1 | 165.9 | -75.5 | -170.1 | -178.5 | 0 | 0 | 109.3 | R143 | M141-R143 PolarHBondContact O-N 2.92Š|
| 142 | A | 45.1 | Very low | 47.6 | Very low | 87 Ų | 87 | 150.8 Ų | 150.8 | 72% | 0.719 | 82% | 0.82 | S | S | * | * | | | trans | -71.2 | 117.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | R140 L144 | R140-A142 PolarHBondContact O-N 2.95Å; A142-L144 PolarHBondContact O-N 3.38Å; A142-L144 VanDerWaalsContact O-N 3.1Å |
| 143 | R | 43.3 | Very low | 48.2 | Very low | 245 Ų | 245 | 150.3 Ų | 150.3 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | | | trans | -60.6 | 105.5 | 166.2 | -77.1 | 172.4 | 132.6 | 177.7 | -3.8 | 108.7 | M141 | M141-R143 PolarHBondContact O-N 2.92Š|
| 144 | L | 45.8 | Very low | 48.1 | Very low | 163 Ų | 163 | 150.4 Ų | 150.4 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | | | trans | -92.2 | 107.7 | 163.3 | -74.7 | 171.4 | 0 | 0 | 0 | 108.4 | A142 | A142-L144 PolarHBondContact O-N 3.38Å; A142-L144 VanDerWaalsContact O-N 3.1Å |
| 145 | T | 45.1 | Very low | 48.9 | Very low | 133 Ų | 133 | 151.3 Ų | 151.3 | 82% | 0.816 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 125.4 | 169.5 | 34.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 146 | M | 47.5 | Very low | 48.7 | Very low | 166 Ų | 166 | 150.7 Ų | 150.7 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 140.1 | 169.4 | -72.2 | -70.7 | -74 | 0 | 0 | 110.7 | T148 | M146-T148 PolarHBondContact O-N 2.96Š|
| 147 | P | 49.5 | Very low | 48.8 | Very low | 106 Ų | 106 | 154.4 Ų | 154.4 | 69% | 0.688 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 123.7 | 175 | 30 | -30.5 | 0 | 0 | 0 | 110.7 | T149 | P147-T149 PolarHBondContact O-N 3.34Š|
| 148 | T | 42.8 | Very low | 48.1 | Very low | 146 Ų | 146 | 151 Ų | 151 | 90% | 0.896 | 81% | 0.813 | S | S | * | * | | | trans | -60.8 | 112.2 | 167.9 | 41.2 | 0 | 0 | 0 | 0 | 110.1 | M146 | M146-T148 PolarHBondContact O-N 2.96Š|
| 149 | T | 43.4 | Very low | 48.3 | Very low | 126 Ų | 126 | 155 Ų | 155 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | | | trans | -97 | 114.3 | 169.5 | -17.6 | 0 | 0 | 0 | 0 | 108.8 | P147 | P147-T149 PolarHBondContact O-N 3.34Š|
| 150 | S | 46.8 | Very low | 48.3 | Very low | 109 Ų | 109 | 157.5 Ų | 157.5 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 125.8 | -179.3 | 50.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 151 | Y | 46.6 | Very low | 48.7 | Very low | 219 Ų | 219 | 153.5 Ų | 153.5 | 86% | 0.859 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 131.6 | 167.6 | -82.4 | -94.9 | 0 | 0 | 0 | 111.1 | | |
| 152 | P | 66.1 | Low | 48.4 | Very low | 113 Ų | 113 | 155.6 Ų | 155.6 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 150.9 | 164.6 | 31.9 | -30.6 | 0 | 0 | 0 | 110.6 | | |
| 153 | P | 60.4 | Low | 48.6 | Very low | 112 Ų | 112 | 154.6 Ų | 154.6 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 156.7 | -173.5 | 32.3 | -34.8 | 0 | 0 | 0 | 112.3 | V155 | P153-V155 PolarHBondContact O-N 3.26Š|
| 154 | P | 58.2 | Low | 49.1 | Very low | 124 Ų | 124 | 149.3 Ų | 149.3 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 124.8 | 178.6 | 29.6 | -31.5 | 0 | 0 | 0 | 110.6 | R156 | P154-R156 PolarHBondContact O-N 2.93Š|
| 155 | V | 59.8 | Low | 49.2 | Very low | 119 Ų | 119 | 148 Ų | 148 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 118.5 | 171.9 | 175.5 | 0 | 0 | 0 | 0 | 109 | P153 F157 | P153-V155 PolarHBondContact O-N 3.26Å; V155-F157 HydrophobicContact CG1-CE2 4.17Å |
| 156 | R | 42.7 | Very low | 50.3 | Low | 234 Ų | 234 | 147.1 Ų | 147.1 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -73 | 127.5 | 170.8 | -69.7 | -173.7 | 170.4 | -175.7 | -2.7 | 109.5 | P154 | P154-R156 PolarHBondContact O-N 2.93Š|
| 157 | F | 44.8 | Very low | 50.7 | Low | 194 Ų | 194 | 145.2 Ų | 145.2 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | | | trans | -98.7 | 115.9 | 159.6 | -79.9 | -81.8 | 0 | 0 | 0 | 109.3 | V155 | V155-F157 HydrophobicContact CG1-CE2 4.17Š|
| 158 | S | 42.7 | Very low | 50.5 | Low | 111 Ų | 111 | 143.8 Ų | 143.8 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | | | trans | -71.3 | 131.8 | 166.1 | -67.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 159 | M | 50.5 | Low | 51.3 | Low | 194 Ų | 194 | 143.2 Ų | 143.2 | 96% | 0.956 | 81% | 0.81 | S | S | * | * | | | trans | -127.9 | 80.5 | 163.9 | -138.5 | 173.1 | 94.6 | 0 | 0 | 108.3 | | |
| 160 | E | 42.1 | Very low | 51.4 | Low | 169 Ų | 169 | 145.5 Ų | 145.5 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | | | trans | -85 | 120.2 | 157.1 | -71.2 | 177.9 | 151.1 | 0 | 0 | 107.1 | | |
| 161 | N | 53.4 | Low | 51.6 | Low | 163 Ų | 163 | 146.6 Ų | 146.6 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | | | trans | -172.5 | 133.8 | 133.9 | -96.6 | -31.1 | 0 | 0 | 0 | 112.2 | | |
| 162 | Y | 39.7 | Very low | 51.4 | Low | 235 Ų | 235 | 141.2 Ų | 141.2 | 92% | 0.922 | 80% | 0.804 | S | S | * | * | | | trans | -81 | 155 | -169 | -80.5 | -105.4 | 0 | 0 | 0 | 114.2 | | |
| 163 | G | 49.8 | Very low | 50.3 | Low | 66 Ų | 66 | 143.1 Ų | 143.1 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | | | trans | -168.6 | 140.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 164 | P | 53.1 | Low | 49.3 | Very low | 133 Ų | 133 | 148 Ų | 148 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | | | trans | -94.9 | 157 | -148.9 | 36.7 | -35 | 0 | 0 | 0 | 116.7 | | |
| 165 | V | 49.4 | Very low | 48.5 | Very low | 136 Ų | 136 | 147.8 Ų | 147.8 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | | | trans | -95 | 146.2 | 175.7 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 166 | P | 67.2 | Low | 48 | Very low | 115 Ų | 115 | 147.5 Ų | 147.5 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | | | trans | -107.3 | 161.8 | 159.1 | 36.2 | -25.9 | 0 | 0 | 0 | 113.5 | | |
| 167 | P | 56 | Low | 48 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | | | trans | -112.2 | 148.2 | -146.7 | 38 | -28.2 | 0 | 0 | 0 | 117 | | |
| 168 | G | 45.6 | Very low | 48 | Very low | 76 Ų | 76 | 137.1 Ų | 137.1 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | | | trans | 67.8 | 168.3 | 142.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 169 | P | 59.1 | Low | 48.1 | Very low | 134 Ų | 134 | 139.6 Ų | 139.6 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | | | cis | -131.5 | 168.8 | 25.2 | 37.5 | -18.9 | 0 | 0 | 0 | 117.1 | | |
| 170 | Q | 45.5 | Very low | 47.7 | Very low | 175 Ų | 175 | 133.5 Ų | 133.5 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -83.6 | 160.4 | -179 | -57.1 | -178.9 | -3.3 | 0 | 0 | 113.3 | | |
| 171 | T | 50.2 | Low | 47.8 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | | | | -163.5 | 111.2 | 124.6 | 27.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 172 | T | 43.8 | Very low | 46.9 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 64% | 0.644 | 79% | 0.785 | S | S | * | * | | | | 59.2 | 126.2 | 96.8 | -0.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 173 | Q | 43.1 | Very low | 47 | Very low | 154 Ų | 154 | 122.6 Ų | 122.6 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | | | | -179 | 140.7 | 51.7 | -106.6 | -162.3 | 0.3 | 0 | 0 | 114 | | |
| 174 | W | 38.9 | Very low | 46.6 | Very low | 215 Ų | 215 | 131 Ų | 131 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | | | trans | 73.8 | 129.2 | 145.4 | -58 | 101.7 | 0 | 0 | 0 | 126.3 | | |
| 175 | T | 40.9 | Very low | 46 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | | | trans | -92.7 | -161.5 | -178.1 | 18.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 176 | P | 49.3 | Very low | 46.1 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | | -133 | -177.1 | -61.7 | 38.9 | -21.6 | 0 | 0 | 0 | 111.6 | | |
| 177 | A | 43 | Very low | 44.8 | Very low | 87 Ų | 87 | 133.7 Ų | 133.7 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | | | | 152.6 | 154.1 | 120.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 178 | V | 45 | Very low | 43.8 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | | | trans | 103 | 94.7 | 148.1 | -176.1 | 0 | 0 | 0 | 0 | 118.2 | | |
| 179 | L | 44.6 | Very low | 43.4 | Very low | 164 Ų | 164 | 138.5 Ų | 138.5 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | | | | 68.3 | 113 | 128.6 | -82.7 | 116.5 | 0 | 0 | 0 | 121.3 | | |
| 180 | G | 41.4 | Very low | 42.4 | Very low | 66 Ų | 66 | 139.5 Ų | 139.5 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | | | | 115.3 | 99.4 | 105.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 181 | S | 44.9 | Very low | 42.3 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | | | | 169.2 | 131.2 | 113.8 | 37.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 182 | A | 34.7 | Very low | 42 | Very low | 97 Ų | 97 | 137.3 Ų | 137.3 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | | | trans | -83.1 | 130.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 183 | V | 41.9 | Very low | 42.6 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 67% | 0.673 | 77% | 0.77 | S | S | * | * | | | trans | -131.7 | 103.7 | 151.6 | -178.5 | 0 | 0 | 0 | 0 | 107 | Y185 | V183-Y185 HydrophobicContact CB-CE2 4.4Å; V183-Y185 HydrophobicContact CG1-CD2 3.95Å; V183-Y185 HydrophobicContact CG1-CE2 3.49Å; V183-Y185 VanDerWaalsContact CG1-CE2 3.49Å; V183-Y185 PolarHBondContact O-N 3.14Å |
| 184 | R | 41.1 | Very low | 42.6 | Very low | 242 Ų | 242 | 141.7 Ų | 141.7 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | | | trans | -67.9 | 119.7 | 169 | -83.7 | -178.6 | 165.5 | -178.7 | -4 | 108.3 | | |
| 185 | Y | 40.4 | Very low | 43 | Very low | 198 Ų | 198 | 136.8 Ų | 136.8 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | | | trans | -102.8 | 136.3 | 158.9 | -78.6 | -84.9 | 0 | 0 | 0 | 109.2 | V183 T187 | V183-Y185 HydrophobicContact CB-CE2 4.4Å; V183-Y185 HydrophobicContact CG1-CD2 3.95Å; V183-Y185 HydrophobicContact CG1-CE2 3.49Å; V183-Y185 VanDerWaalsContact CG1-CE2 3.49Å; V183-Y185 PolarHBondContact O-N 3.14Å; Y185-T187 PolarHBondContact O-N 2.87Å |
| 186 | P | 51.5 | Low | 43.5 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | trans | -71.7 | 111 | 178.4 | 28.5 | -30.3 | 0 | 0 | 0 | 109.5 | Q188 | P186-Q188 PolarHBondContact O-N 3.19Š|
| 187 | T | 39 | Very low | 43.1 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | | | trans | -59.3 | 121.5 | 151.8 | 39 | 0 | 0 | 0 | 0 | 108.3 | Y185 | Y185-T187 PolarHBondContact O-N 2.87Š|
| 188 | Q | 36.7 | Very low | 43.3 | Very low | 183 Ų | 183 | 142.8 Ų | 142.8 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | | | trans | 129 | 86.9 | 163.6 | -70.5 | 177.8 | 24.6 | 0 | 0 | 112.2 | P186 | P186-Q188 PolarHBondContact O-N 3.19Š|
| 189 | C | 37.1 | Very low | 43.4 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | | | trans | -120.1 | 89.7 | 151.1 | -61.4 | 0 | 0 | 0 | 0 | 106.6 | V191 | C189-V191 HydrophobicContact CB-CG2 4.41Å; C189-V191 PolarHBondContact O-N 3.26Å; C189-V191 VanDerWaalsContact O-N 3.16Å |
| 190 | N | 36.8 | Very low | 43 | Very low | 156 Ų | 156 | 137.8 Ų | 137.8 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | | | trans | -73.5 | 93.1 | 166.6 | -166.2 | 17.8 | 0 | 0 | 0 | 106.6 | E192 | N190-E192 PolarHBondContact O-N 2.93Š|
| 191 | V | 43.7 | Very low | 43.2 | Very low | 124 Ų | 124 | 146 Ų | 146 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | | | trans | -87.1 | 89 | 174.6 | -176.9 | 0 | 0 | 0 | 0 | 106.8 | C189 P193 | C189-V191 HydrophobicContact CB-CG2 4.41Å; C189-V191 PolarHBondContact O-N 3.26Å; C189-V191 VanDerWaalsContact O-N 3.16Å; V191-P193 WeakPolarHBondContact O-CD 3.36Å |
| 192 | E | 44.8 | Very low | 43.5 | Very low | 137 Ų | 137 | 144.5 Ų | 144.5 | 64% | 0.64 | 78% | 0.784 | S | S | * | * | | | trans | -70 | 118.7 | 168.9 | -159.4 | -178.6 | -147.7 | 0 | 0 | 107.9 | N190 W194 | N190-E192 PolarHBondContact O-N 2.93Å; E192-W194 PolarHBondContact O-N 3.35Å |
| 193 | P | 56.7 | Low | 44 | Very low | 106 Ų | 106 | 146.1 Ų | 146.1 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | | | trans | -72.7 | 114.3 | 173.3 | 26.9 | -27.1 | 0 | 0 | 0 | 108.4 | V191 C195 | V191-P193 WeakPolarHBondContact O-CD 3.36Å; P193-C195 PolarHBondContact O-N 3.27Å |
| 194 | W | 42 | Very low | 44 | Very low | 244 Ų | 244 | 146.5 Ų | 146.5 | 92% | 0.924 | 79% | 0.789 | S | S | * | * | | | trans | -61.9 | 96 | 165.8 | -91 | 50.4 | 0 | 0 | 0 | 109.4 | E192 | E192-W194 PolarHBondContact O-N 3.35Š|
| 195 | C | 46.9 | Very low | 44.2 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | | | trans | -83.6 | 126.6 | 161.8 | -81.1 | 0 | 0 | 0 | 0 | 109.2 | P193 | P193-C195 PolarHBondContact O-N 3.27Š|
| 196 | P | 52.5 | Low | 44.1 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | trans | -68.4 | 141.6 | 171.8 | 28.2 | -30.8 | 0 | 0 | 0 | 110.3 | V198 | P196-V198 PolarHBondContact O-N 2.65Š|
| 197 | Q | 39.8 | Very low | 43.7 | Very low | 196 Ų | 196 | 140.7 Ų | 140.7 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | | | trans | -58.9 | 103.9 | 176.3 | -79.3 | -179.4 | -26.5 | 0 | 0 | 110.8 | | |
| 198 | V | 47 | Very low | 43.7 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -79 | 120.8 | 164.1 | -178.1 | 0 | 0 | 0 | 0 | 107.7 | P196 | P196-V198 PolarHBondContact O-N 2.65Š|
| 199 | A | 48.5 | Very low | 44.3 | Very low | 80 Ų | 80 | 142.4 Ų | 142.4 | 66% | 0.661 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 138 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | W201 | A199-W201 PolarHBondContact O-N 3.15Š|
| 200 | A | 36.5 | Very low | 44.7 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 120.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 201 | W | 44.7 | Very low | 45.2 | Very low | 239 Ų | 239 | 146.6 Ų | 146.6 | 91% | 0.905 | 78% | 0.778 | S | S | * | * | | | trans | -106.8 | 137.3 | 159.5 | -81.5 | 62.5 | 0 | 0 | 0 | 108.9 | A199 | A199-W201 PolarHBondContact O-N 3.15Š|
| 202 | P | 52.2 | Low | 45.5 | Very low | 98 Ų | 98 | 147.3 Ų | 147.3 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | | | trans | -72.8 | 152.8 | -172.9 | 29.9 | -33.9 | 0 | 0 | 0 | 112.1 | T204 | P202-T204 PolarHBondContact O-N 3.48Š|
| 203 | P | 43.7 | Very low | 45.7 | Very low | 131 Ų | 131 | 149.2 Ų | 149.2 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | | | trans | -85.2 | 99.3 | -177.3 | 33.7 | -28.8 | 0 | 0 | 0 | 109.1 | | |
| 204 | T | 42.9 | Very low | 45.1 | Very low | 120 Ų | 120 | 151.8 Ų | 151.8 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | | | trans | -143 | 132.6 | 169.1 | 30.6 | 0 | 0 | 0 | 0 | 111.6 | P202 | P202-T204 PolarHBondContact O-N 3.48Š|
| 205 | V | 44.4 | Very low | 45.5 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | | | trans | 92.3 | 73 | 165.9 | -157.3 | 0 | 0 | 0 | 0 | 116.9 | H207 | V205-H207 HydrophobicContact CG1-CB 4.11Å; V205-H207 PolarHBondContact O-N 3.39Å |
| 206 | N | 38.6 | Very low | 45.6 | Very low | 164 Ų | 164 | 152.9 Ų | 152.9 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | | | trans | -69.4 | 91.2 | 146.5 | -83.8 | -32.1 | 0 | 0 | 0 | 109.2 | | |
| 207 | H | 43.1 | Very low | 45.7 | Very low | 148 Ų | 148 | 152.2 Ų | 152.2 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | | | trans | -161.6 | 69 | 164.8 | -93.1 | -25.2 | 0 | 0 | 0 | 111.9 | V205 | V205-H207 HydrophobicContact CG1-CB 4.11Å; V205-H207 PolarHBondContact O-N 3.39Å |
| 208 | F | 38.9 | Very low | 46.1 | Very low | 193 Ų | 193 | 153.7 Ų | 153.7 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | | | trans | -148.3 | 66.4 | 162.5 | -94.2 | -77.8 | 0 | 0 | 0 | 110.4 | | |
| 209 | D | 49.5 | Very low | 46.2 | Very low | 152 Ų | 152 | 155.8 Ų | 155.8 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -150.6 | 41 | 165.5 | -152.8 | 9.4 | 0 | 0 | 0 | 111.6 | | |
| 210 | R | 45.9 | Very low | 46.1 | Very low | 208 Ų | 208 | 160.9 Ų | 160.9 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -131.2 | 5.3 | -175.7 | -130.4 | -179.4 | -171.9 | 176.4 | 2.7 | 115.2 | | |
| 211 | Q | 47.9 | Very low | 46.5 | Very low | 154 Ų | 154 | 160.6 Ų | 160.6 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -104.1 | -14.7 | 179 | -82.4 | -173.7 | -15 | 0 | 0 | 114.8 | Q213 | Q211-Q213 VanDerWaalsContact C-N 3.34Å; Q211-Q213 PolarHBondContact O-N 3.3Å |
| 212 | D | 49.6 | Very low | 46.9 | Very low | 140 Ų | 140 | 157.8 Ų | 157.8 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | 4.1 | 176.7 | -86.4 | -6.7 | 0 | 0 | 0 | 114.2 | | |
| 213 | Q | 47.8 | Very low | 47.1 | Very low | 176 Ų | 176 | 156.9 Ų | 156.9 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 3.6 | 173.2 | -80.8 | -170.9 | 4.5 | 0 | 0 | 114.8 | Q211 | Q211-Q213 VanDerWaalsContact C-N 3.34Å; Q211-Q213 PolarHBondContact O-N 3.3Å |
| 214 | M | 45.4 | Very low | 47.2 | Very low | 160 Ų | 160 | 154.7 Ų | 154.7 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -100 | 0.2 | -175.7 | -75.4 | -99.7 | -139.1 | 0 | 0 | 114.7 | | |
| 215 | Y | 48.9 | Very low | 48 | Very low | 216 Ų | 216 | 156 Ų | 156 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | | | trans | -121.1 | 54.3 | -179.7 | -74.3 | -81.4 | 0 | 0 | 0 | 112.2 | | |
| 216 | E | 50.3 | Low | 48.4 | Very low | 165 Ų | 165 | 156.1 Ų | 156.1 | 77% | 0.771 | 79% | 0.788 | S | S | * | * | | | trans | -95.2 | 120.3 | 160.1 | -89.2 | -79.9 | 152.8 | 0 | 0 | 108.1 | R218 | E216-R218 PolarHBondContact O-N 2.89Š|
| 217 | P | 53.3 | Low | 49.1 | Very low | 99 Ų | 99 | 155.7 Ų | 155.7 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | | | trans | -64.9 | 110.2 | 170.7 | 25.6 | -28 | 0 | 0 | 0 | 107.9 | M219 | P217-M219 VanDerWaalsContact C-N 3.34Å; P217-M219 PolarHBondContact O-N 3.45Å |
| 218 | R | 48.6 | Very low | 49.8 | Very low | 227 Ų | 227 | 157.7 Ų | 157.7 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | | | trans | -50.4 | 98.9 | 169.4 | -79.6 | -176.8 | -178.2 | 177.5 | 0.8 | 109 | E216 F220 | E216-R218 PolarHBondContact O-N 2.89Å; R218-F220 PolarHBondContact O-N 2.92Å |
| 219 | M | 49.7 | Very low | 50.7 | Low | 178 Ų | 178 | 156.9 Ų | 156.9 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | | | trans | -72.4 | 114.3 | 164.3 | -70.2 | -152.2 | 173.8 | 0 | 0 | 107.3 | P217 S221 | P217-M219 VanDerWaalsContact C-N 3.34Å; P217-M219 PolarHBondContact O-N 3.45Å; M219-S221 PolarHBondContact O-N 3.44Å |
| 220 | F | 47 | Very low | 51 | Low | 187 Ų | 187 | 155.3 Ų | 155.3 | 82% | 0.82 | 79% | 0.789 | S | S | * | * | | | trans | -64.2 | 114.7 | 172.4 | -72.6 | -88.2 | 0 | 0 | 0 | 108.9 | R218 | R218-F220 PolarHBondContact O-N 2.92Š|
| 221 | S | 43.7 | Very low | 50.9 | Low | 96 Ų | 96 | 152.9 Ų | 152.9 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | | | trans | -61.4 | 134.2 | 157.6 | -90.1 | 0 | 0 | 0 | 0 | 109 | M219 S223 | M219-S221 PolarHBondContact O-N 3.44Å; S221-S223 PolarHBondContact O-N 3.34Å |
| 222 | N | 53 | Low | 51.4 | Low | 180 Ų | 180 | 151.3 Ų | 151.3 | 96% | 0.963 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -66.4 | 22.6 | 174.7 | -76.9 | -34.1 | 0 | 0 | 0 | 114.3 | | |
| 223 | S | 56.1 | Low | 51.4 | Low | 78 Ų | 78 | 150.6 Ų | 150.6 | 55% | 0.545 | 80% | 0.797 | S | S | . | * | S | Bend | trans | -125.1 | 94.8 | 177 | 59.3 | 0 | 0 | 0 | 0 | 108 | S221 L225 | S221-S223 PolarHBondContact O-N 3.34Å; S223-L225 PolarHBondContact O-N 3.32Å |
| 224 | G | 46 | Very low | 51 | Low | 85 Ų | 85 | 146.4 Ų | 146.4 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | | | trans | -67.6 | 57.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 225 | L | 61 | Low | 51.3 | Low | 148 Ų | 148 | 145.8 Ų | 145.8 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | | | trans | -129.7 | 128 | 176.5 | -71.3 | 172.4 | 0 | 0 | 0 | 110.8 | S223 L227 | S223-L225 PolarHBondContact O-N 3.32Å; L225-L227 PolarHBondContact O-N 2.88Å |
| 226 | P | 52.2 | Low | 51 | Low | 125 Ų | 125 | 142.8 Ų | 142.8 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | | | trans | -73 | 120.3 | 175.3 | 28.3 | -31.3 | 0 | 0 | 0 | 110.6 | Q228 | P226-Q228 PolarHBondContact O-N 3.32Š|
| 227 | L | 52.7 | Low | 50.8 | Low | 154 Ų | 154 | 139.3 Ų | 139.3 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | | | trans | -73.4 | 112.4 | 168.5 | -87.5 | 160.7 | 0 | 0 | 0 | 109.7 | L225 | L225-L227 PolarHBondContact O-N 2.88Š|
| 228 | Q | 58 | Low | 50.5 | Low | 190 Ų | 190 | 140.5 Ų | 140.5 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 116.8 | 174.3 | -167.8 | 173.9 | 31.2 | 0 | 0 | 108.8 | P226 | P226-Q228 PolarHBondContact O-N 3.32Š|
| 229 | F | 58.7 | Low | 50.8 | Low | 176 Ų | 176 | 137.4 Ų | 137.4 | 77% | 0.772 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 146.7 | 172.5 | -73.8 | -80.5 | 0 | 0 | 0 | 111.2 | | |
| 230 | P | 56.5 | Low | 50.5 | Low | 120 Ų | 120 | 134.4 Ų | 134.4 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 137.3 | -174.7 | 7.2 | 9.2 | 0 | 0 | 0 | 112.3 | | |
| 231 | I | 43.7 | Very low | 51 | Low | 156 Ų | 156 | 133.1 Ų | 133.1 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 129.7 | 170.5 | -58.6 | 166.8 | 0 | 0 | 0 | 108.8 | | |
| 232 | P | 58.4 | Low | 51.4 | Low | 121 Ų | 121 | 133.9 Ų | 133.9 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 130.6 | 158.1 | 27.2 | -16.3 | 0 | 0 | 0 | 111.3 | | |
| 233 | C | 48.1 | Very low | 50.9 | Low | 125 Ų | 125 | 130.9 Ų | 130.9 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 157.8 | -176.6 | -63.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 234 | A | 39.7 | Very low | 51 | Low | 89 Ų | 89 | 133.1 Ų | 133.1 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 157.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 235 | V | 51.4 | Low | 51 | Low | 147 Ų | 147 | 135.5 Ų | 135.5 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | | | trans | -136.8 | 124.5 | 149.2 | 177.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 236 | D | 43.2 | Very low | 50.1 | Low | 153 Ų | 153 | 132.7 Ų | 132.7 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -68.6 | 146.8 | -179.6 | -75.3 | -55.1 | 0 | 0 | 0 | 114.4 | | |
| 237 | A | 46.2 | Very low | 50.4 | Low | 91 Ų | 91 | 132.4 Ų | 132.4 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | -158.4 | 125.8 | 143.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 238 | P | 46 | Very low | 49.9 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | | | trans | -93.9 | 130.2 | -178.4 | 34.6 | -28.5 | 0 | 0 | 0 | 110.9 | | |
| 239 | I | 54.9 | Low | 49.1 | Very low | 162 Ų | 162 | 129.5 Ų | 129.5 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | | | trans | -131.7 | 121.7 | 164.8 | -56.6 | 179.4 | 0 | 0 | 0 | 109.4 | | |
| 240 | S | 44.5 | Very low | 48.5 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 135.8 | -173.9 | -45.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 241 | I | 57.6 | Low | 47.6 | Very low | 160 Ų | 160 | 125.9 Ų | 125.9 | 82% | 0.821 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 129.7 | 171 | -54 | 173.1 | 0 | 0 | 0 | 108.5 | | |
| 242 | P | 51.1 | Low | 47.8 | Very low | 112 Ų | 112 | 123.4 Ų | 123.4 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 143.7 | 176.1 | 33.5 | -30.9 | 0 | 0 | 0 | 112 | | |
| 243 | S | 43.5 | Very low | 47.2 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 135.4 | 170.8 | -54.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 244 | P | 57.7 | Low | 47.3 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 121.6 | 163.6 | 24.9 | -11.2 | 0 | 0 | 0 | 111.8 | | |
| 245 | T | 46.2 | Very low | 48.1 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 138.1 | 172.1 | -44.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 246 | A | 42.4 | Very low | 47.9 | Very low | 89 Ų | 89 | 128.7 Ų | 128.7 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 144.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 247 | P | 58.7 | Low | 48.3 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 124.8 | 156.4 | 32.2 | -22 | 0 | 0 | 0 | 110.7 | | |
| 248 | I | 41.7 | Very low | 48.2 | Very low | 165 Ų | 165 | 128.9 Ų | 128.9 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 127.5 | 161.3 | -64.7 | 157.3 | 0 | 0 | 0 | 107.9 | | |
| 249 | C | 41 | Very low | 48.3 | Very low | 118 Ų | 118 | 133 Ų | 133 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | -139.7 | 136.5 | 161.4 | -87.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 250 | P | 46 | Very low | 48.3 | Very low | 114 Ų | 114 | 130 Ų | 130 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | | | trans | -87.6 | 157.9 | -161.8 | 36.1 | -35.4 | 0 | 0 | 0 | 113.1 | | |
| 251 | A | 37.9 | Very low | 48.4 | Very low | 107 Ų | 107 | 131.1 Ų | 131.1 | 88% | 0.884 | 79% | 0.789 | S | S | * | * | | | trans | -65.4 | 126.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 252 | S | 48.4 | Very low | 48 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | | | trans | -160.4 | 105.1 | 157.7 | 59 | 0 | 0 | 0 | 0 | 111.1 | | |
| 253 | E | 45.6 | Very low | 47.5 | Very low | 188 Ų | 188 | 132.5 Ų | 132.5 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | | | trans | 42.8 | 107.8 | 140.8 | -58.7 | -174.3 | 163.5 | 0 | 0 | 119.6 | | |
| 254 | Q | 48.8 | Very low | 47.4 | Very low | 188 Ų | 188 | 135.8 Ų | 135.8 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | | | trans | -69.1 | 131.7 | 161.1 | -89 | -165.9 | -30.1 | 0 | 0 | 111.2 | S256 | Q254-S256 PolarHBondContact O-N 3.4Š|
| 255 | P | 57.1 | Low | 47.2 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | | | trans | -77.7 | 112.5 | 155.3 | 29.7 | -26.6 | 0 | 0 | 0 | 109.1 | F257 | P255-F257 HydrophobicContact CB-CD2 4.35Å; P255-F257 HydrophobicContact CB-CE2 4.27Å; P255-F257 PolarHBondContact O-N 3.01Å |
| 256 | S | 47 | Very low | 47.1 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | trans | -71 | 101 | 170.4 | -177.4 | 0 | 0 | 0 | 0 | 109.6 | Q254 | Q254-S256 PolarHBondContact O-N 3.4Š|
| 257 | F | 53.1 | Low | 47.3 | Very low | 174 Ų | 174 | 139.9 Ų | 139.9 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | | | trans | -92.6 | 105.7 | 164.2 | -85.7 | -86.1 | 0 | 0 | 0 | 108.9 | P255 Y259 | P255-F257 HydrophobicContact CB-CD2 4.35Å; P255-F257 HydrophobicContact CB-CE2 4.27Å; P255-F257 PolarHBondContact O-N 3.01Å; F257-Y259 PolarHBondContact O-N 2.79Å |
| 258 | G | 44.2 | Very low | 47 | Very low | 74 Ų | 74 | 139.5 Ų | 139.5 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | | | trans | -69.1 | 106.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 259 | Y | 46.6 | Very low | 46.9 | Very low | 210 Ų | 210 | 136 Ų | 136 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | | | trans | -76.8 | 126 | 162.2 | -81.7 | -89.9 | 0 | 0 | 0 | 108.8 | F257 T261 | F257-Y259 PolarHBondContact O-N 2.79Å; Y259-T261 PolarHBondContact O-N 2.96Å |
| 260 | P | 54.5 | Low | 46.8 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | | | trans | -65.7 | 122.4 | 168.9 | 27.2 | -30.4 | 0 | 0 | 0 | 108.1 | W262 | P260-W262 PolarHBondContact O-N 3.21Š|
| 261 | T | 47.9 | Very low | 46.7 | Very low | 138 Ų | 138 | 134.8 Ų | 134.8 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | | | trans | -49.3 | 109.8 | 169.2 | -38.8 | 0 | 0 | 0 | 0 | 108.7 | Y259 G263 | Y259-T261 PolarHBondContact O-N 2.96Å; T261-G263 VanDerWaalsContact C-N 3.3Å; T261-G263 PolarHBondContact O-N 3.13Å |
| 262 | W | 49.5 | Very low | 46.8 | Very low | 240 Ų | 240 | 135.4 Ų | 135.4 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | | | trans | -65.1 | 97.5 | 167.4 | -83.1 | 69.8 | 0 | 0 | 0 | 107.2 | P260 H264 | P260-W262 PolarHBondContact O-N 3.21Å; W262-H264 PolarHBondContact O-N 3.28Å |
| 263 | G | 40.8 | Very low | 46.4 | Very low | 62 Ų | 62 | 136.9 Ų | 136.9 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 116.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | T261 P265 | T261-G263 VanDerWaalsContact C-N 3.3Å; T261-G263 PolarHBondContact O-N 3.13Å; G263-P265 WeakPolarHBondContact O-CD 3.41Å |
| 264 | H | 40.1 | Very low | 46.2 | Very low | 186 Ų | 186 | 134.9 Ų | 134.9 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 120.6 | 166.9 | -85.1 | -80.1 | 0 | 0 | 0 | 109.5 | W262 A266 | W262-H264 PolarHBondContact O-N 3.28Å; H264-A266 PolarHBondContact O-N 3.01Å |
| 265 | P | 54.8 | Low | 45.8 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 121.5 | 163 | 27.7 | -29 | 0 | 0 | 0 | 107.4 | G263 Y267 | G263-P265 WeakPolarHBondContact O-CD 3.41Å; P265-Y267 PolarHBondContact O-N 3.07Å; P265-Y267 VanDerWaalsContact O-N 3.17Å |
| 266 | A | 42.6 | Very low | 45 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 119.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | H264 P268 | H264-A266 PolarHBondContact O-N 3.01Å; A266-P268 WeakPolarHBondContact O-CD 3.36Å |
| 267 | Y | 46.2 | Very low | 44.7 | Very low | 225 Ų | 225 | 135.2 Ų | 135.2 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 123 | 170.9 | -101.8 | -96.5 | 0 | 0 | 0 | 109.3 | P265 G269 | P265-Y267 PolarHBondContact O-N 3.07Å; P265-Y267 VanDerWaalsContact O-N 3.17Å; Y267-G269 PolarHBondContact O-N 3.02Å |
| 268 | P | 53.7 | Low | 44.1 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 126.6 | 164.9 | 30 | -28 | 0 | 0 | 0 | 108 | A266 G270 | A266-P268 WeakPolarHBondContact O-CD 3.36Å; P268-G270 PolarHBondContact O-N 2.99Å; P268-G270 VanDerWaalsContact O-N 3.08Å |
| 269 | G | 40 | Very low | 43.6 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | | | trans | -53.3 | 113.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y267 | Y267-G269 PolarHBondContact O-N 3.02Š|
| 270 | G | 38 | Very low | 43.6 | Very low | 59 Ų | 59 | 127.7 Ų | 127.7 | 61% | 0.608 | 80% | 0.795 | S | S | * | * | | | trans | -129.1 | 102.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | P268 T272 | P268-G270 PolarHBondContact O-N 2.99Å; P268-G270 VanDerWaalsContact O-N 3.08Å; G270-T272 PolarHBondContact O-N 2.67Å |
| 271 | V | 43.3 | Very low | 43.2 | Very low | 148 Ų | 148 | 125.8 Ų | 125.8 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | | | trans | -62.6 | 96.8 | 166.9 | -103.7 | 0 | 0 | 0 | 0 | 108.1 | T273 | V271-T273 PolarHBondContact O-N 2.76Š|
| 272 | T | 40.8 | Very low | 43.1 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | trans | -86.3 | 90.2 | 169.7 | -42.9 | 0 | 0 | 0 | 0 | 108 | G270 L274 | G270-T272 PolarHBondContact O-N 2.67Å; T272-L274 PolarHBondContact O-N 3.06Å; T272-L274 VanDerWaalsContact O-N 3.11Å |
| 273 | T | 39.9 | Very low | 43 | Very low | 133 Ų | 133 | 118.5 Ų | 118.5 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | | | trans | -63.8 | 102.7 | 163 | 40.4 | 0 | 0 | 0 | 0 | 108.8 | V271 | V271-T273 PolarHBondContact O-N 2.76Š|
| 274 | L | 40.6 | Very low | 43.4 | Very low | 147 Ų | 147 | 119 Ų | 119 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | | | trans | -79.4 | 143.1 | 165.1 | -73.2 | 169.6 | 0 | 0 | 0 | 109.4 | T272 M276 | T272-L274 PolarHBondContact O-N 3.06Å; T272-L274 VanDerWaalsContact O-N 3.11Å; L274-M276 PolarHBondContact O-N 3.38Å |
| 275 | P | 40.8 | Very low | 44.1 | Very low | 119 Ų | 119 | 116.5 Ų | 116.5 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | trans | -67.3 | 124.2 | -174.8 | 27 | -32.2 | 0 | 0 | 0 | 110.5 | A277 | P275-A277 PolarHBondContact O-N 2.61Š|
| 276 | M | 40.9 | Very low | 44.3 | Very low | 190 Ų | 190 | 114.6 Ų | 114.6 | 94% | 0.936 | 76% | 0.762 | S | S | * | * | | | trans | -55 | 104.3 | 166.2 | -83.1 | 172.3 | 77.9 | 0 | 0 | 109 | L274 S278 | L274-M276 PolarHBondContact O-N 3.38Å; M276-S278 PolarHBondContact O-N 3.01Å |
| 277 | A | 40.7 | Very low | 45.1 | Very low | 103 Ų | 103 | 112.9 Ų | 112.9 | 85% | 0.851 | 75% | 0.745 | S | S | * | * | | | trans | -71.7 | 118.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | P275 | P275-A277 PolarHBondContact O-N 2.61Š|
| 278 | S | 39.5 | Very low | 46.3 | Very low | 115 Ų | 115 | 104.3 Ų | 104.3 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | | | trans | -67.6 | 133 | -175.3 | -175.3 | 0 | 0 | 0 | 0 | 112.8 | M276 | M276-S278 PolarHBondContact O-N 3.01Š|
| 279 | A | 35.5 | Very low | 47.5 | Very low | 93 Ų | 93 | 103.5 Ų | 103.5 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | | | trans | 61.9 | 98.7 | 144.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 280 | A | 45.1 | Very low | 49.3 | Very low | 92 Ų | 92 | 103.8 Ų | 103.8 | 76% | 0.76 | 69% | 0.689 | S | S | * | * | | | trans | -153.8 | 120.2 | 135.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 281 | G | 47.6 | Very low | 51.4 | Low | 60 Ų | 60 | 108.3 Ų | 108.3 | 62% | 0.619 | 69% | 0.694 | S | S | * | * | | | trans | -66.7 | -170.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V283 | G281-V283 VanDerWaalsContact C-N 3.3Å; G281-V283 PolarHBondContact O-N 3.15Å |
| 282 | P | 44.2 | Very low | 53.3 | Low | 125 Ų | 125 | 106.8 Ų | 106.8 | 81% | 0.812 | 68% | 0.677 | S | S | * | * | | | trans | -67.7 | 91.7 | 179.5 | 29.1 | -32.3 | 0 | 0 | 0 | 109.1 | A284 | P282-A284 PolarHBondContact O-N 3.3Š|
| 283 | V | 48.8 | Very low | 55.2 | Low | 99 Ų | 99 | 103.4 Ų | 103.4 | 60% | 0.6 | 65% | 0.651 | S | S | * | * | | | trans | -64.5 | 107.4 | 166.1 | 176.4 | 0 | 0 | 0 | 0 | 105.3 | G281 V285 | G281-V283 VanDerWaalsContact C-N 3.3Å; G281-V283 PolarHBondContact O-N 3.15Å; V283-V285 PolarHBondContact O-N 3.46Å |
| 284 | A | 47.8 | Very low | 57.5 | Low | 74 Ų | 74 | 105 Ų | 105 | 61% | 0.612 | 65% | 0.646 | S | S | * | * | | | trans | -41.2 | 137.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | P282 S286 | P282-A284 PolarHBondContact O-N 3.3Å; A284-S286 PolarHBondContact O-N 2.86Å |
| 285 | V | 56.4 | Low | 59.8 | Low | 132 Ų | 132 | 103.7 Ų | 103.7 | 80% | 0.8 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | 5.2 | -172.4 | -157.3 | 0 | 0 | 0 | 0 | 114.7 | V283 | V283-V285 PolarHBondContact O-N 3.46Š|
| 286 | S | 57.3 | Low | 62.2 | Low | 73 Ų | 73 | 100.3 Ų | 100.3 | 51% | 0.51 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.5 | 6.9 | -178.4 | -62.6 | 0 | 0 | 0 | 0 | 116.2 | A284 K311 | A284-S286 PolarHBondContact O-N 2.86Å; S286-K311 PolarHBondContact OG-NZ 3.08Å |
| 287 | S | 60.5 | Low | 64.5 | Low | 61 Ų | 61 | 94.5 Ų | 94.5 | 43% | 0.427 | 60% | 0.597 | S | S | . | * | | | trans | -150.3 | 62.9 | -179.7 | -143.6 | 0 | 0 | 0 | 0 | 116 | M289 | S287-M289 PolarHBondContact O-N 2.73Å; S287-M289 WeakPolarHBondContact OG-CE 3.46Å |
| 288 | V | 70.9 | Confident | 67 | Low | 45 Ų | 45 | 94.7 Ų | 94.7 | 27% | 0.273 | 58% | 0.583 | S | S | . | * | | | trans | -74.4 | 112.8 | 152.4 | -177.7 | 0 | 0 | 0 | 0 | 106.7 | Q292 R293 L296 L304 | V288-Q292 HydrophobicContact CG1-CB 3.7Å; V288-R293 HydrophobicContact CB-CG 4.25Å; V288-R293 HydrophobicContact CG1-CG 3.73Å; V288-R293 PolarHBondContact O-NE 3.5Å; V288-L296 HydrophobicContact CG1-CD1 4.28Å; V288-L304 HydrophobicContact CB-CD1 4.39Å; V288-L304 HydrophobicContact CG2-CD1 4.16Å |
| 289 | M | 78.7 | Confident | 69.4 | Low | 94 Ų | 94 | 97.3 Ų | 97.3 | 46% | 0.463 | 58% | 0.576 | S | S | . | * | | | trans | -51.7 | 141.5 | 177.5 | -73.4 | -67.7 | 110.8 | 0 | 0 | 110 | S287 E291 Q292 R293 | S287-M289 PolarHBondContact O-N 2.73Å; S287-M289 WeakPolarHBondContact OG-CE 3.46Å; M289-E291 PolarHBondContact O-N 3.48Å; M289-Q292 HydrophobicContact CB-CG 4.5Å; M289-Q292 PolarHBondContact O-N 2.99Å; M289-R293 PolarHBondContact O-N 3.22Å |
| 290 | P | 79 | Confident | 72.1 | Confident | 96 Ų | 96 | 95.3 Ų | 95.3 | 62% | 0.623 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.8 | -29.8 | -178.4 | -26.8 | 33.6 | 0 | 0 | 0 | 113.8 | R293 | P290-R293 PolarHBondContact O-N 3.01Š|
| 291 | E | 81.5 | Confident | 74.3 | Confident | 155 Ų | 155 | 94.8 Ų | 94.8 | 72% | 0.724 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -37.9 | 178.4 | -68.4 | 164 | 157 | 0 | 0 | 112.8 | M289 R293 K294 | M289-E291 PolarHBondContact O-N 3.48Å; E291-R293 VanDerWaalsContact C-N 3.28Å; E291-R293 PolarHBondContact O-N 3.42Å; E291-K294 PolarHBondContact O-N 3.47Å |
| 292 | Q | 82.3 | Confident | 76.5 | Confident | 116 Ų | 116 | 96.6 Ų | 96.6 | 54% | 0.542 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -72.5 | -23 | 175.5 | -69.1 | -179.6 | -29.7 | 0 | 0 | 112.1 | V288 M289 K294 T295 | V288-Q292 HydrophobicContact CG1-CB 3.7Å; M289-Q292 HydrophobicContact CB-CG 4.5Å; M289-Q292 PolarHBondContact O-N 2.99Å; Q292-K294 PolarHBondContact O-N 2.9Å; Q292-T295 PolarHBondContact O-N 3.43Å; Q292-T295 PolarHBondContact O-OG1 3.19Å |
| 293 | R | 81.7 | Confident | 78.8 | Confident | 49 Ų | 49 | 92 Ų | 92 | 19% | 0.185 | 50% | 0.501 | C | S | . | . | G | 310 helix | trans | -65.8 | -20.5 | 176.3 | -62.7 | -171.1 | -176.7 | -164.6 | 7.1 | 113.1 | V288 M289 P290 E291 L296 R301 E308 | V288-R293 HydrophobicContact CB-CG 4.25Å; V288-R293 HydrophobicContact CG1-CG 3.73Å; V288-R293 PolarHBondContact O-NE 3.5Å; M289-R293 PolarHBondContact O-N 3.22Å; P290-R293 PolarHBondContact O-N 3.01Å; E291-R293 VanDerWaalsContact C-N 3.28Å; E291-R293 PolarHBondContact O-N 3.42Å; R293-L296 PolarHBondContact O-N 2.95Å; R293-R301 PolarHBondContact O-NE 3.45Å; R293-E308 IonicContact CZ-OE2 2.77Å; R293-E308 VanDerWaalsContact CZ-OE2 3.23Å; R293-E308 IonicContact NH1-OE2 2.65Å; R293-E308 PolarHBondContact NH1-OE2 3.38Å; R293-E308 IonicContact NH2-OE2 2.79Å; R293-E308 PolarHBondContact NH2-OE2 3.01Å |
| 294 | K | 87.4 | Confident | 80.9 | Confident | 166 Ų | 166 | 88.7 Ų | 88.7 | 72% | 0.722 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -73.2 | -26.1 | 178.5 | -65 | -178.2 | -179.1 | 176.3 | 0 | 113.2 | E291 Q292 L296 R301 | E291-K294 PolarHBondContact O-N 3.47Å; Q292-K294 PolarHBondContact O-N 2.9Å; K294-L296 VanDerWaalsContact C-N 3.35Å; K294-R301 PolarHBondContact O-NH2 3.26Å |
| 295 | T | 90.1 | Very high | 83.1 | Confident | 121 Ų | 121 | 89.9 Ų | 89.9 | 74% | 0.742 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -86.7 | -9 | 178.5 | 57.5 | 0 | 0 | 0 | 0 | 112.9 | Q292 | Q292-T295 PolarHBondContact O-N 3.43Å; Q292-T295 PolarHBondContact O-OG1 3.19Å |
| 296 | L | 90.4 | Very high | 84.8 | Confident | 47 Ų | 47 | 90.5 Ų | 90.5 | 25% | 0.246 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -82.4 | 142.6 | 178.8 | -61.9 | 175.4 | 0 | 0 | 0 | 110.8 | V288 R293 K294 I300 R301 L304 | V288-L296 HydrophobicContact CG1-CD1 4.28Å; R293-L296 PolarHBondContact O-N 2.95Å; K294-L296 VanDerWaalsContact C-N 3.35Å; L296-I300 HydrophobicContact CB-CB 4.27Å; L296-I300 HydrophobicContact CB-CG2 4.29Å; L296-I300 HydrophobicContact CD1-CG2 3.87Å; L296-I300 HydrophobicContact CG-CG2 4.48Å; L296-R301 PolarHBondContact O-NH2 3.45Å; L296-L304 HydrophobicContact CD1-CD1 3.88Å |
| 297 | P | 90 | Very high | 86.5 | Confident | 69 Ų | 69 | 92.1 Ų | 92.1 | 45% | 0.448 | 47% | 0.466 | S | S | . | . | | | trans | -49.5 | 146.6 | 167.2 | -27.4 | 34 | 0 | 0 | 0 | 112.4 | W299 I300 R301 | P297-W299 VanDerWaalsContact C-N 3.3Å; P297-W299 PolarHBondContact O-N 3.01Å; P297-I300 HydrophobicContact CG-CD1 4.39Å; P297-I300 PolarHBondContact O-N 3.38Å; P297-R301 PolarHBondContact O-N 3.17Å |
| 298 | N | 91.3 | Very high | 87.9 | Confident | 107 Ų | 107 | 92 Ų | 92 | 57% | 0.572 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -53.4 | -43.2 | -172.9 | -68.8 | -16.1 | 0 | 0 | 0 | 113 | I300 R301 D302 | N298-I300 VanDerWaalsContact C-N 3.28Å; N298-I300 PolarHBondContact O-N 3.03Å; N298-R301 WeakPolarHBondContact O-CB 3.05Å; N298-R301 PolarHBondContact O-N 3.42Å; N298-D302 PolarHBondContact O-N 2.91Å |
| 299 | W | 90.8 | Very high | 88.8 | Confident | 170 Ų | 170 | 94.2 Ų | 94.2 | 64% | 0.644 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.4 | -31.6 | -179.2 | 71.6 | -94.6 | 0 | 0 | 0 | 113.7 | P297 G303 | P297-W299 VanDerWaalsContact C-N 3.3Å; P297-W299 PolarHBondContact O-N 3.01Å; W299-G303 PolarHBondContact O-N 3.19Å |
| 300 | I | 91.6 | Very high | 89.4 | Confident | 50 Ų | 50 | 95.5 Ų | 95.5 | 26% | 0.256 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -74.2 | -41 | 174.8 | -58 | -175.3 | 0 | 0 | 0 | 109.8 | L296 P297 N298 G303 L304 | L296-I300 HydrophobicContact CB-CB 4.27Å; L296-I300 HydrophobicContact CB-CG2 4.29Å; L296-I300 HydrophobicContact CD1-CG2 3.87Å; L296-I300 HydrophobicContact CG-CG2 4.48Å; P297-I300 HydrophobicContact CG-CD1 4.39Å; P297-I300 PolarHBondContact O-N 3.38Å; N298-I300 VanDerWaalsContact C-N 3.28Å; N298-I300 PolarHBondContact O-N 3.03Å; I300-G303 PolarHBondContact O-N 3.17Å; I300-L304 HydrophobicContact CG2-CD1 4.19Å; I300-L304 HydrophobicContact CG2-CG 4.39Å; I300-L304 WeakPolarHBondContact O-CG 3.44Å; I300-L304 PolarHBondContact O-N 3.37Å |
| 301 | R | 92.1 | Very high | 89.9 | Confident | 82 Ų | 82 | 96.5 Ų | 96.5 | 31% | 0.309 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.3 | -47.8 | 177.3 | -167.9 | -176.2 | -56.6 | 147.8 | 12.7 | 110.8 | R293 K294 L296 P297 N298 G303 L304 E305 | R293-R301 PolarHBondContact O-NE 3.45Å; K294-R301 PolarHBondContact O-NH2 3.26Å; L296-R301 PolarHBondContact O-NH2 3.45Å; P297-R301 PolarHBondContact O-N 3.17Å; N298-R301 WeakPolarHBondContact O-CB 3.05Å; N298-R301 PolarHBondContact O-N 3.42Å; R301-G303 VanDerWaalsContact C-N 3.34Å; R301-L304 PolarHBondContact O-N 3.34Å; R301-E305 WeakPolarHBondContact O-CB 3.45Å; R301-E305 PolarHBondContact O-N 2.96Å |
| 302 | D | 92.8 | Very high | 90.2 | Very high | 97 Ų | 97 | 96.1 Ų | 96.1 | 52% | 0.519 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 178.1 | -60.1 | -12.5 | 0 | 0 | 0 | 110.9 | N298 E305 K306 | N298-D302 PolarHBondContact O-N 2.91Å; D302-E305 PolarHBondContact O-N 3.05Å; D302-K306 WeakPolarHBondContact O-CB 3.46Å; D302-K306 PolarHBondContact O-N 3.45Å |
| 303 | G | 93.4 | Very high | 90.4 | Very high | 29 Ų | 29 | 99.8 Ų | 99.8 | 30% | 0.299 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62 | -46.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | W299 I300 R301 K306 I307 | W299-G303 PolarHBondContact O-N 3.19Å; I300-G303 PolarHBondContact O-N 3.17Å; R301-G303 VanDerWaalsContact C-N 3.34Å; G303-K306 PolarHBondContact O-N 3.03Å; G303-I307 WeakPolarHBondContact O-CG1 3.46Å; G303-I307 PolarHBondContact O-N 3.46Å; G303-I307 VanDerWaalsContact O-N 3.09Å |
| 304 | L | 93.4 | Very high | 90.5 | Very high | 30 Ų | 30 | 101.3 Ų | 101.3 | 16% | 0.157 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 176.8 | -72 | 175.8 | 0 | 0 | 0 | 112.2 | V288 L296 I300 R301 I307 E308 | V288-L304 HydrophobicContact CB-CD1 4.39Å; V288-L304 HydrophobicContact CG2-CD1 4.16Å; L296-L304 HydrophobicContact CD1-CD1 3.88Å; I300-L304 HydrophobicContact CG2-CD1 4.19Å; I300-L304 HydrophobicContact CG2-CG 4.39Å; I300-L304 WeakPolarHBondContact O-CG 3.44Å; I300-L304 PolarHBondContact O-N 3.37Å; R301-L304 PolarHBondContact O-N 3.34Å; L304-I307 PolarHBondContact O-N 2.93Å; L304-E308 WeakPolarHBondContact O-CB 3.39Å; L304-E308 PolarHBondContact O-N 3.01Å |
| 305 | E | 92.3 | Very high | 90.2 | Very high | 98 Ų | 98 | 97.5 Ų | 97.5 | 46% | 0.458 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 175.5 | -177.5 | 167.7 | -160.6 | 0 | 0 | 111.6 | R301 D302 E308 Q309 | R301-E305 WeakPolarHBondContact O-CB 3.45Å; R301-E305 PolarHBondContact O-N 2.96Å; D302-E305 PolarHBondContact O-N 3.05Å; E305-E308 PolarHBondContact O-N 3.22Å; E305-Q309 WeakPolarHBondContact O-CG 3.46Å; E305-Q309 PolarHBondContact O-N 3.41Å |
| 306 | K | 93.9 | Very high | 89.4 | Confident | 146 Ų | 146 | 97.9 Ų | 97.9 | 64% | 0.635 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.6 | -45 | 176 | -171.5 | 179.2 | 178.3 | -174.5 | 0 | 112.1 | D302 G303 E308 Q309 E310 | D302-K306 WeakPolarHBondContact O-CB 3.46Å; D302-K306 PolarHBondContact O-N 3.45Å; G303-K306 PolarHBondContact O-N 3.03Å; K306-E308 VanDerWaalsContact C-N 3.32Å; K306-E308 PolarHBondContact O-N 2.97Å; K306-Q309 PolarHBondContact O-N 3.38Å; K306-E310 WeakPolarHBondContact O-CB 3.36Å; K306-E310 PolarHBondContact O-N 2.94Å |
| 307 | I | 91.4 | Very high | 88 | Confident | 106 Ų | 106 | 98.8 Ų | 98.8 | 54% | 0.544 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.4 | -39.2 | 177.1 | -67.2 | 165.3 | 0 | 0 | 0 | 110.8 | G303 L304 E310 K311 | G303-I307 WeakPolarHBondContact O-CG1 3.46Å; G303-I307 PolarHBondContact O-N 3.46Å; G303-I307 VanDerWaalsContact O-N 3.09Å; L304-I307 PolarHBondContact O-N 2.93Å; I307-E310 PolarHBondContact O-N 3.31Å; I307-K311 WeakPolarHBondContact O-CB 3.44Å; I307-K311 PolarHBondContact O-N 3.11Å |
| 308 | E | 90.7 | Very high | 86.5 | Confident | 60 Ų | 60 | 100.3 Ų | 100.3 | 28% | 0.28 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.5 | -40.8 | 177.3 | -171.4 | 176.6 | 164.2 | 0 | 0 | 112.2 | R293 L304 E305 K306 K311 R312 | R293-E308 IonicContact CZ-OE2 2.77Å; R293-E308 VanDerWaalsContact CZ-OE2 3.23Å; R293-E308 IonicContact NH1-OE2 2.65Å; R293-E308 PolarHBondContact NH1-OE2 3.38Å; R293-E308 IonicContact NH2-OE2 2.79Å; R293-E308 PolarHBondContact NH2-OE2 3.01Å; L304-E308 WeakPolarHBondContact O-CB 3.39Å; L304-E308 PolarHBondContact O-N 3.01Å; E305-E308 PolarHBondContact O-N 3.22Å; K306-E308 VanDerWaalsContact C-N 3.32Å; K306-E308 PolarHBondContact O-N 2.97Å; E308-K311 PolarHBondContact O-N 2.86Å; E308-R312 WeakPolarHBondContact O-CG 3.34Å; E308-R312 PolarHBondContact O-N 3.32Å; E308-R312 IonicContact OE1-CZ 3.42Å; E308-R312 IonicContact OE1-NH1 3.58Å; E308-R312 IonicContact OE1-NH2 2.72Å; E308-R312 PolarHBondContact OE1-NH2 3.39Å |
| 309 | Q | 90.5 | Very high | 85 | Confident | 91 Ų | 91 | 100.3 Ų | 100.3 | 43% | 0.425 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 173.6 | -73.9 | -176.6 | 8.8 | 0 | 0 | 112.1 | E305 K306 R312 R313 | E305-Q309 WeakPolarHBondContact O-CG 3.46Å; E305-Q309 PolarHBondContact O-N 3.41Å; K306-Q309 PolarHBondContact O-N 3.38Å; Q309-R312 PolarHBondContact O-N 3.12Å; Q309-R313 PolarHBondContact O-N 2.72Å |
| 310 | E | 90.4 | Very high | 83.4 | Confident | 121 Ų | 121 | 100.9 Ų | 100.9 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.8 | -43.1 | 177 | -173.1 | 155.5 | -148.8 | 0 | 0 | 111.3 | K306 I307 R312 R313 S314 | K306-E310 WeakPolarHBondContact O-CB 3.36Å; K306-E310 PolarHBondContact O-N 2.94Å; I307-E310 PolarHBondContact O-N 3.31Å; E310-R312 VanDerWaalsContact C-N 3.32Å; E310-R312 PolarHBondContact O-N 3.17Å; E310-R313 PolarHBondContact O-N 3.25Å; E310-S314 PolarHBondContact O-N 3.44Å; E310-S314 PolarHBondContact O-OG 2.79Å |
| 311 | K | 89.8 | Confident | 81.7 | Confident | 117 Ų | 117 | 107.9 Ų | 107.9 | 51% | 0.509 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.4 | -39.6 | 174.6 | -166.6 | 179.9 | -177.1 | -175.9 | 0 | 112.4 | S286 I307 E308 S314 T315 | S286-K311 PolarHBondContact OG-NZ 3.08Å; I307-K311 WeakPolarHBondContact O-CB 3.44Å; I307-K311 PolarHBondContact O-N 3.11Å; E308-K311 PolarHBondContact O-N 2.86Å; K311-S314 PolarHBondContact O-N 2.98Å; K311-T315 WeakPolarHBondContact O-CB 3.07Å; K311-T315 PolarHBondContact O-N 2.79Å; K311-T315 PolarHBondContact O-OG1 3.34Å |
| 312 | R | 87.4 | Confident | 80 | Confident | 146 Ų | 146 | 108.3 Ų | 108.3 | 55% | 0.551 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.7 | -45.9 | 174.3 | -75.1 | -175.1 | -179.6 | 123.2 | 11.1 | 111.6 | E308 Q309 E310 S314 T315 D316 | E308-R312 WeakPolarHBondContact O-CG 3.34Å; E308-R312 PolarHBondContact O-N 3.32Å; E308-R312 IonicContact OE1-CZ 3.42Å; E308-R312 IonicContact OE1-NH1 3.58Å; E308-R312 IonicContact OE1-NH2 2.72Å; E308-R312 PolarHBondContact OE1-NH2 3.39Å; Q309-R312 PolarHBondContact O-N 3.12Å; E310-R312 VanDerWaalsContact C-N 3.32Å; E310-R312 PolarHBondContact O-N 3.17Å; R312-S314 VanDerWaalsContact C-N 3.32Å; R312-S314 PolarHBondContact O-N 3.26Å; R312-T315 PolarHBondContact O-N 2.9Å; R312-D316 PolarHBondContact O-N 3.23Å |
| 313 | R | 87.6 | Confident | 78.4 | Confident | 194 Ų | 194 | 109.8 Ų | 109.8 | 73% | 0.732 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -58.7 | -42.2 | 175.9 | -74.3 | -178.7 | 179.1 | 164.1 | 1.6 | 112.5 | Q309 E310 G317 | Q309-R313 PolarHBondContact O-N 2.72Å; E310-R313 PolarHBondContact O-N 3.25Å; R313-G317 PolarHBondContact O-N 3.27Å; R313-G317 VanDerWaalsContact O-N 3.17Å |
| 314 | S | 82.4 | Confident | 76.6 | Confident | 80 Ų | 80 | 112.7 Ų | 112.7 | 56% | 0.559 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.9 | -30.2 | 178.3 | -57 | 0 | 0 | 0 | 0 | 113.4 | E310 K311 R312 | E310-S314 PolarHBondContact O-N 3.44Å; E310-S314 PolarHBondContact O-OG 2.79Å; K311-S314 PolarHBondContact O-N 2.98Å; R312-S314 VanDerWaalsContact C-N 3.32Å; R312-S314 PolarHBondContact O-N 3.26Å |
| 315 | T | 81.4 | Confident | 74.8 | Confident | 87 Ų | 87 | 118.1 Ų | 118.1 | 53% | 0.534 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -78.5 | -38.3 | -178.9 | -47.8 | 0 | 0 | 0 | 0 | 111.5 | K311 R312 | K311-T315 WeakPolarHBondContact O-CB 3.07Å; K311-T315 PolarHBondContact O-N 2.79Å; K311-T315 PolarHBondContact O-OG1 3.34Å; R312-T315 PolarHBondContact O-N 2.9Å |
| 316 | D | 73.2 | Confident | 72.8 | Confident | 129 Ų | 129 | 119.7 Ų | 119.7 | 69% | 0.69 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -81.3 | -24 | -179.5 | -66.7 | -27.6 | 0 | 0 | 0 | 112.8 | R312 | R312-D316 PolarHBondContact O-N 3.23Å |
| 317 | G | 61.4 | Low | 70.7 | Confident | 66 Ų | 66 | 121.8 Ų | 121.8 | 68% | 0.68 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -85.2 | -9.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | R313 | R313-G317 PolarHBondContact O-N 3.27Å; R313-G317 VanDerWaalsContact O-N 3.17Å |
| 318 | S | 58 | Low | 69 | Low | 100 Ų | 100 | 124 Ų | 124 | 70% | 0.699 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -99.8 | -2.4 | -170.4 | -173.8 | 0 | 0 | 0 | 0 | 115 | | |
| 319 | T | 59.7 | Low | 67.1 | Low | 108 Ų | 108 | 129.7 Ų | 129.7 | 66% | 0.663 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -115.8 | -2.9 | -167.1 | -22.8 | 0 | 0 | 0 | 0 | 115.2 | | |
| 320 | E | 57.5 | Low | 65.3 | Low | 182 Ų | 182 | 131.9 Ų | 131.9 | 85% | 0.85 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -105 | -7.3 | -178 | -81.7 | -165.3 | 149.4 | 0 | 0 | 116.1 | | |
| 321 | E | 55.9 | Low | 63.6 | Low | 196 Ų | 196 | 133 Ų | 133 | 92% | 0.916 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -96.1 | -3.5 | -178.1 | -136.7 | 179.6 | -174.8 | 0 | 0 | 114.9 | | |
| 322 | A | 58 | Low | 62.2 | Low | 92 Ų | 92 | 133.8 Ų | 133.8 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -103.2 | 0.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 323 | V | 58 | Low | 60.7 | Low | 128 Ų | 128 | 130 Ų | 130 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -128.4 | 16.2 | -168.4 | -163.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 324 | A | 55.1 | Low | 59.4 | Low | 89 Ų | 89 | 129.6 Ų | 129.6 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | | | trans | -113.1 | 16.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 325 | V | 56.3 | Low | 58.2 | Low | 145 Ų | 145 | 130.1 Ų | 130.1 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | | | trans | -129.2 | 82.7 | 175.8 | -171.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 326 | T | 49.3 | Very low | 56.8 | Low | 131 Ų | 131 | 134.3 Ų | 134.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -136.6 | 144.5 | 164.6 | 33.9 | 0 | 0 | 0 | 0 | 109 | | |
| 327 | E | 51.2 | Low | 56.2 | Low | 190 Ų | 190 | 136.6 Ų | 136.6 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | trans | 79.7 | 83.7 | 179.4 | -66.7 | -171.9 | 133.8 | 0 | 0 | 118 | | |
| 328 | T | 55.7 | Low | 56.2 | Low | 152 Ų | 152 | 141.1 Ų | 141.1 | 93% | 0.933 | 80% | 0.795 | S | S | * | * | | | | -161 | 121.2 | 114 | 20.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 329 | Q | 49.9 | Very low | 56.5 | Low | 179 Ų | 179 | 141.7 Ų | 141.7 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | | | trans | -44.1 | 138.1 | 169.3 | 179.9 | -173.9 | -0.2 | 0 | 0 | 118.4 | | |
| 330 | D | 52.9 | Low | 56.7 | Low | 137 Ų | 137 | 146.4 Ų | 146.4 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | | | | 159.2 | 97.8 | 128.4 | -102.6 | -13.6 | 0 | 0 | 0 | 108.1 | | |
| 331 | D | 55.4 | Low | 57.2 | Low | 146 Ų | 146 | 142 Ų | 142 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | | | | 56.5 | 100.7 | 93.2 | -155.9 | 15.4 | 0 | 0 | 0 | 113.3 | | |
| 332 | T | 60.5 | Low | 57.6 | Low | 133 Ų | 133 | 142 Ų | 142 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | | | trans | 158 | 112.7 | 131.5 | -55.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 333 | G | 55.9 | Low | 58.1 | Low | 65 Ų | 65 | 146.2 Ų | 146.2 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | | | trans | 106.3 | 91.1 | 139 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 334 | E | 59 | Low | 58.3 | Low | 187 Ų | 187 | 146.4 Ų | 146.4 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | 73.4 | 149.3 | 136.5 | -63.7 | -65.2 | 119.4 | 0 | 0 | 120.1 | | |
| 335 | P | 57.7 | Low | 58.9 | Low | 91 Ų | 91 | 146.1 Ų | 146.1 | 59% | 0.591 | 78% | 0.784 | S | S | * | * | | | trans | -123.3 | 176.9 | -132.4 | 44.4 | -31.7 | 0 | 0 | 0 | 112.8 | | |
| 336 | E | 52 | Low | 59.6 | Low | 174 Ų | 174 | 143.4 Ų | 143.4 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | trans | 60.2 | 112.2 | 158.1 | -64.6 | -178.8 | 161.2 | 0 | 0 | 115.1 | | |
| 337 | E | 61.7 | Low | 60.7 | Low | 178 Ų | 178 | 140.8 Ų | 140.8 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | | | | 172.5 | 95.9 | 86.3 | -77.9 | -171.4 | 151.2 | 0 | 0 | 106.9 | | |
| 338 | D | 61.7 | Low | 61.6 | Low | 160 Ų | 160 | 140.5 Ų | 140.5 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | | | trans | -159.1 | 43.3 | 169.8 | -121 | -12.7 | 0 | 0 | 0 | 115.6 | | |
| 339 | S | 63.6 | Low | 63 | Low | 112 Ų | 112 | 137.7 Ų | 137.7 | 78% | 0.783 | 73% | 0.728 | S | S | * | * | | | trans | -111 | 23.5 | -179.2 | -53.7 | 0 | 0 | 0 | 0 | 115 | | |
| 340 | K | 64.3 | Low | 64.9 | Low | 207 Ų | 207 | 134.7 Ų | 134.7 | 90% | 0.9 | 71% | 0.714 | S | S | * | * | | | trans | -102.4 | 9.8 | -169.5 | -148 | 164.5 | -176.2 | 174.9 | 0 | 117.1 | | |
| 341 | S | 67.5 | Low | 66.7 | Low | 90 Ų | 90 | 131 Ų | 131 | 63% | 0.629 | 70% | 0.703 | S | S | * | * | | | trans | -102.5 | -2.3 | -175.2 | 62.9 | 0 | 0 | 0 | 0 | 116.6 | K343 | S341-K343 VanDerWaalsContact C-N 3.33Å; S341-K343 PolarHBondContact O-N 3Å |
| 342 | Y | 63.7 | Low | 68.5 | Low | 195 Ų | 195 | 129.1 Ų | 129.1 | 77% | 0.765 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -3.5 | -173 | -76.1 | -79.6 | 0 | 0 | 0 | 116.5 | | |
| 343 | K | 69 | Low | 70 | Confident | 182 Ų | 182 | 125.8 Ų | 125.8 | 79% | 0.791 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -25.1 | -172.1 | -156.6 | 167.3 | -178.6 | 178.2 | 0 | 114.4 | S341 | S341-K343 VanDerWaalsContact C-N 3.33Å; S341-K343 PolarHBondContact O-N 3Å |
| 344 | D | 61.2 | Low | 71.9 | Confident | 131 Ų | 131 | 126.7 Ų | 126.7 | 70% | 0.701 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -86.8 | -13.9 | -173.8 | -69.1 | -19.6 | 0 | 0 | 0 | 113.9 | S346 S347 | D344-S346 VanDerWaalsContact C-N 3.31Å; D344-S346 PolarHBondContact O-N 3.46Å; D344-S347 PolarHBondContact O-OG 2.89Å |
| 345 | S | 67.5 | Low | 73.6 | Confident | 84 Ų | 84 | 124 Ų | 124 | 59% | 0.587 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -71.8 | -26.8 | 175.7 | -32.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 346 | S | 71.2 | Confident | 75.4 | Confident | 88 Ų | 88 | 124.7 Ų | 124.7 | 62% | 0.615 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -76.4 | -35 | -174.3 | -169.5 | 0 | 0 | 0 | 0 | 113.1 | D344 E350 | D344-S346 VanDerWaalsContact C-N 3.31Å; D344-S346 PolarHBondContact O-N 3.46Å; S346-E350 PolarHBondContact O-N 2.91Å |
| 347 | S | 73.3 | Confident | 77.6 | Confident | 75 Ų | 75 | 121.4 Ų | 121.4 | 52% | 0.524 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -77.6 | -36.7 | -177 | 56.1 | 0 | 0 | 0 | 0 | 112.5 | D344 N349 E350 | D344-S347 PolarHBondContact O-OG 2.89Å; S347-N349 VanDerWaalsContact C-N 3.35Å; S347-E350 PolarHBondContact O-N 3.37Å |
| 348 | R | 69.3 | Low | 79.3 | Confident | 185 Ų | 185 | 120 Ų | 120 | 70% | 0.698 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.9 | -37.8 | 176.1 | -171.8 | 173.6 | 173.7 | 162.9 | 0.9 | 112.1 | E350 A351 E352 | R348-E350 VanDerWaalsContact C-N 3.31Å; R348-E350 PolarHBondContact O-N 3.43Å; R348-A351 PolarHBondContact O-N 3.29Å; R348-E352 IonicContact NE-OE1 3.77Å; R348-E352 PolarHBondContact O-N 3.47Å |
| 349 | N | 84.8 | Confident | 81 | Confident | 93 Ų | 93 | 115.1 Ų | 115.1 | 50% | 0.497 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66 | -32.4 | 175.9 | -170.2 | 0.1 | 0 | 0 | 0 | 112.3 | S347 E352 T353 | S347-N349 VanDerWaalsContact C-N 3.35Å; N349-E352 PolarHBondContact O-N 3.09Å; N349-T353 WeakPolarHBondContact O-CB 3.37Å; N349-T353 PolarHBondContact O-N 3.41Å; N349-T353 PolarHBondContact O-OG1 2.68Å; N349-T353 PolarHBondContact OD1-OG1 3.29Å |
| 350 | E | 90 | Very high | 82.6 | Confident | 116 Ų | 116 | 113.5 Ų | 113.5 | 54% | 0.542 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.9 | -42.7 | 177.9 | -167.9 | -178 | 167.5 | 0 | 0 | 112.1 | S346 S347 R348 T353 Q354 | S346-E350 PolarHBondContact O-N 2.91Å; S347-E350 PolarHBondContact O-N 3.37Å; R348-E350 VanDerWaalsContact C-N 3.31Å; R348-E350 PolarHBondContact O-N 3.43Å; E350-T353 PolarHBondContact O-N 2.96Å; E350-Q354 WeakPolarHBondContact O-CG 3.42Å; E350-Q354 PolarHBondContact O-N 3.49Å; E350-Q354 PolarHBondContact OE1-NE2 2.93Å |
| 351 | A | 91.4 | Very high | 84.1 | Confident | 60 Ų | 60 | 109.9 Ų | 109.9 | 50% | 0.496 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.5 | -43.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R348 T353 Q354 Q355 | R348-A351 PolarHBondContact O-N 3.29Å; A351-T353 VanDerWaalsContact C-N 3.34Å; A351-Q354 PolarHBondContact O-N 2.89Å; A351-Q355 WeakPolarHBondContact O-CB 3.39Å; A351-Q355 PolarHBondContact O-N 2.96Å |
| 352 | E | 92.4 | Very high | 85.5 | Confident | 106 Ų | 106 | 113.8 Ų | 113.8 | 50% | 0.495 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.2 | -41.2 | 175.2 | -69.2 | 176.2 | -168.9 | 0 | 0 | 111.2 | R348 N349 Q355 L356 | R348-E352 IonicContact NE-OE1 3.77Å; R348-E352 PolarHBondContact O-N 3.47Å; N349-E352 PolarHBondContact O-N 3.09Å; E352-Q355 PolarHBondContact O-N 3.33Å; E352-L356 WeakPolarHBondContact O-CB 3.35Å; E352-L356 PolarHBondContact O-N 2.88Å |
| 353 | T | 92.5 | Very high | 87.2 | Confident | 63 Ų | 63 | 109.7 Ų | 109.7 | 39% | 0.387 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64 | -43 | 175.5 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | N349 E350 A351 L356 L357 | N349-T353 WeakPolarHBondContact O-CB 3.37Å; N349-T353 PolarHBondContact O-N 3.41Å; N349-T353 PolarHBondContact O-OG1 2.68Å; N349-T353 PolarHBondContact OD1-OG1 3.29Å; E350-T353 PolarHBondContact O-N 2.96Å; A351-T353 VanDerWaalsContact C-N 3.34Å; T353-L356 PolarHBondContact O-N 3.2Å; T353-L357 HydrophobicContact CG2-CD1 4.35Å; T353-L357 WeakPolarHBondContact O-CG 3.43Å; T353-L357 PolarHBondContact O-N 3.27Å |
| 354 | Q | 95.1 | Very high | 88.5 | Confident | 84 Ų | 84 | 106.1 Ų | 106.1 | 39% | 0.393 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 175.8 | -71.9 | -176.3 | 18.9 | 0 | 0 | 111.9 | E350 A351 L357 R358 | E350-Q354 WeakPolarHBondContact O-CG 3.42Å; E350-Q354 PolarHBondContact O-N 3.49Å; E350-Q354 PolarHBondContact OE1-NE2 2.93Å; A351-Q354 PolarHBondContact O-N 2.89Å; Q354-L357 PolarHBondContact O-N 2.91Å; Q354-R358 WeakPolarHBondContact O-CG 3.4Å; Q354-R358 PolarHBondContact O-N 3.29Å |
| 355 | Q | 95.7 | Very high | 90.3 | Very high | 131 Ų | 131 | 103.3 Ų | 103.3 | 61% | 0.612 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.2 | -41.1 | 174.9 | -174.4 | 176 | -0.9 | 0 | 0 | 111.7 | A351 E352 R358 T359 | A351-Q355 WeakPolarHBondContact O-CB 3.39Å; A351-Q355 PolarHBondContact O-N 2.96Å; E352-Q355 PolarHBondContact O-N 3.33Å; Q355-R358 PolarHBondContact O-N 3.22Å; Q355-T359 WeakPolarHBondContact O-CB 3.29Å; Q355-T359 PolarHBondContact O-N 3.24Å; Q355-T359 PolarHBondContact O-OG1 3.01Å |
| 356 | L | 96.1 | Very high | 91.7 | Very high | 104 Ų | 104 | 102 Ų | 102 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.3 | -46.6 | 174.6 | 179.9 | 62.6 | 0 | 0 | 0 | 111.3 | E352 T353 R358 T359 L360 | E352-L356 WeakPolarHBondContact O-CB 3.35Å; E352-L356 PolarHBondContact O-N 2.88Å; T353-L356 PolarHBondContact O-N 3.2Å; L356-R358 PolarHBondContact O-N 3.24Å; L356-T359 WeakPolarHBondContact O-CB 3.37Å; L356-T359 PolarHBondContact O-N 2.97Å; L356-T359 VanDerWaalsContact O-N 3.15Å; L356-L360 HydrophobicContact CD1-CD1 4.49Å; L356-L360 HydrophobicContact CD1-CG 4.44Å; L356-L360 HydrophobicContact CG-CD1 4.25Å; L356-L360 WeakPolarHBondContact O-CG 3.4Å; L356-L360 PolarHBondContact O-N 3.43Å |
| 357 | L | 97.3 | Very high | 92.9 | Very high | 106 Ų | 106 | 101.3 Ų | 101.3 | 56% | 0.555 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.6 | -42.3 | 177.4 | -73.5 | 173 | 0 | 0 | 0 | 112.3 | T353 Q354 T359 L360 Q361 | T353-L357 HydrophobicContact CG2-CD1 4.35Å; T353-L357 WeakPolarHBondContact O-CG 3.43Å; T353-L357 PolarHBondContact O-N 3.27Å; Q354-L357 PolarHBondContact O-N 2.91Å; L357-T359 VanDerWaalsContact C-N 3.3Å; L357-T359 PolarHBondContact O-N 2.92Å; L357-L360 PolarHBondContact O-N 3.46Å; L357-Q361 WeakPolarHBondContact O-CB 3.39Å; L357-Q361 PolarHBondContact O-N 2.98Å |
| 358 | R | 96.9 | Very high | 94.1 | Very high | 148 Ų | 148 | 103.1 Ų | 103.1 | 56% | 0.558 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63 | -38.1 | 174.2 | -71.8 | 178 | -166.1 | 161.8 | 8.1 | 111.9 | Q354 Q355 L356 Q361 R362 | Q354-R358 WeakPolarHBondContact O-CG 3.4Å; Q354-R358 PolarHBondContact O-N 3.29Å; Q355-R358 PolarHBondContact O-N 3.22Å; L356-R358 PolarHBondContact O-N 3.24Å; R358-Q361 PolarHBondContact O-N 3.49Å; R358-R362 WeakPolarHBondContact O-CG 3.34Å; R358-R362 PolarHBondContact O-N 2.96Å |
| 359 | T | 97.3 | Very high | 95.4 | Very high | 58 Ų | 58 | 99.1 Ų | 99.1 | 36% | 0.356 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.9 | -47.3 | 177.8 | -56.4 | 0 | 0 | 0 | 0 | 111 | Q355 L356 L357 Q361 R362 Q363 | Q355-T359 WeakPolarHBondContact O-CB 3.29Å; Q355-T359 PolarHBondContact O-N 3.24Å; Q355-T359 PolarHBondContact O-OG1 3.01Å; L356-T359 WeakPolarHBondContact O-CB 3.37Å; L356-T359 PolarHBondContact O-N 2.97Å; L356-T359 VanDerWaalsContact O-N 3.15Å; L357-T359 VanDerWaalsContact C-N 3.3Å; L357-T359 PolarHBondContact O-N 2.92Å; T359-Q361 VanDerWaalsContact C-N 3.32Å; T359-Q361 PolarHBondContact O-N 3.32Å; T359-R362 PolarHBondContact O-N 3.06Å; T359-Q363 WeakPolarHBondContact O-CG 3.49Å; T359-Q363 PolarHBondContact O-N 3.4Å |
| 360 | L | 97.2 | Very high | 96 | Very high | 77 Ų | 77 | 101.4 Ų | 101.4 | 40% | 0.403 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 174.7 | -73.3 | 173.1 | 0 | 0 | 0 | 111.6 | L356 L357 R362 Q363 L364 | L356-L360 HydrophobicContact CD1-CD1 4.49Å; L356-L360 HydrophobicContact CD1-CG 4.44Å; L356-L360 HydrophobicContact CG-CD1 4.25Å; L356-L360 WeakPolarHBondContact O-CG 3.4Å; L356-L360 PolarHBondContact O-N 3.43Å; L357-L360 PolarHBondContact O-N 3.46Å; L360-R362 PolarHBondContact O-N 3.18Å; L360-Q363 PolarHBondContact O-N 2.93Å; L360-L364 WeakPolarHBondContact O-CB 3.38Å; L360-L364 WeakPolarHBondContact O-CG 3.35Å; L360-L364 PolarHBondContact O-N 3.2Å |
| 361 | Q | 97.5 | Very high | 96.4 | Very high | 132 Ų | 132 | 99.7 Ų | 99.7 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61 | -44.2 | 175.9 | -175.7 | -177 | -0.6 | 0 | 0 | 112 | L357 R358 T359 T365 | L357-Q361 WeakPolarHBondContact O-CB 3.39Å; L357-Q361 PolarHBondContact O-N 2.98Å; R358-Q361 PolarHBondContact O-N 3.49Å; T359-Q361 VanDerWaalsContact C-N 3.32Å; T359-Q361 PolarHBondContact O-N 3.32Å; Q361-T365 WeakPolarHBondContact O-CB 3.38Å; Q361-T365 PolarHBondContact O-N 2.99Å; Q361-T365 PolarHBondContact O-OG1 2.87Å |
| 362 | R | 97 | Very high | 96.7 | Very high | 171 Ų | 171 | 100.3 Ų | 100.3 | 65% | 0.645 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.5 | -44.4 | 176.2 | -73.2 | 174.4 | -176.3 | -176.8 | -0.3 | 111.3 | R358 T359 L360 T365 A366 | R358-R362 WeakPolarHBondContact O-CG 3.34Å; R358-R362 PolarHBondContact O-N 2.96Å; T359-R362 PolarHBondContact O-N 3.06Å; L360-R362 PolarHBondContact O-N 3.18Å; R362-T365 PolarHBondContact O-N 3.33Å; R362-A366 PolarHBondContact O-N 2.95Å |
| 363 | Q | 97.8 | Very high | 97 | Very high | 110 Ų | 110 | 99.8 Ų | 99.8 | 51% | 0.514 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.3 | -46.6 | 178.2 | -73.4 | 179.9 | -16.9 | 0 | 0 | 112.4 | T359 L360 T365 A366 I367 | T359-Q363 WeakPolarHBondContact O-CG 3.49Å; T359-Q363 PolarHBondContact O-N 3.4Å; L360-Q363 PolarHBondContact O-N 2.93Å; Q363-T365 VanDerWaalsContact C-N 3.3Å; Q363-T365 PolarHBondContact O-N 3.12Å; Q363-A366 PolarHBondContact O-N 3.42Å; Q363-I367 WeakPolarHBondContact O-CG1 3.32Å; Q363-I367 PolarHBondContact O-N 3.43Å |
| 364 | L | 97.7 | Very high | 97.2 | Very high | 107 Ų | 107 | 100.2 Ų | 100.2 | 56% | 0.56 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.6 | -39.6 | 176.3 | -73.4 | 172 | 0 | 0 | 0 | 111.8 | L360 I367 L368 | L360-L364 WeakPolarHBondContact O-CB 3.38Å; L360-L364 WeakPolarHBondContact O-CG 3.35Å; L360-L364 PolarHBondContact O-N 3.2Å; L364-I367 PolarHBondContact O-N 3.02Å; L364-L368 WeakPolarHBondContact O-CB 3.3Å; L364-L368 VanDerWaalsContact O-CG 3.29Å; L364-L368 WeakPolarHBondContact O-CG 3.47Å; L364-L368 PolarHBondContact O-N 3.25Å |
| 365 | T | 97.7 | Very high | 97.3 | Very high | 71 Ų | 71 | 102 Ų | 102 | 44% | 0.436 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 176 | -54.8 | 0 | 0 | 0 | 0 | 111.3 | Q361 R362 Q363 L368 L369 | Q361-T365 WeakPolarHBondContact O-CB 3.38Å; Q361-T365 PolarHBondContact O-N 2.99Å; Q361-T365 PolarHBondContact O-OG1 2.87Å; R362-T365 PolarHBondContact O-N 3.33Å; Q363-T365 VanDerWaalsContact C-N 3.3Å; Q363-T365 PolarHBondContact O-N 3.12Å; T365-L368 PolarHBondContact O-N 3.43Å; T365-L369 HydrophobicContact CG2-CD1 4.3Å; T365-L369 WeakPolarHBondContact O-CG 3.29Å; T365-L369 PolarHBondContact O-N 3.36Å |
| 366 | A | 97 | Very high | 97.5 | Very high | 57 Ų | 57 | 99.4 Ų | 99.4 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R362 Q363 L368 L369 E370 | R362-A366 PolarHBondContact O-N 2.95Å; Q363-A366 PolarHBondContact O-N 3.42Å; A366-L368 PolarHBondContact O-N 2.94Å; A366-L369 PolarHBondContact O-N 3.29Å; A366-E370 PolarHBondContact O-N 3.17Å |
| 367 | I | 97.5 | Very high | 97.5 | Very high | 73 Ų | 73 | 100.9 Ų | 100.9 | 37% | 0.374 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 176.7 | -66.5 | 165.5 | 0 | 0 | 0 | 111 | Q363 L364 L369 E370 V371 | Q363-I367 WeakPolarHBondContact O-CG1 3.32Å; Q363-I367 PolarHBondContact O-N 3.43Å; L364-I367 PolarHBondContact O-N 3.02Å; I367-L369 VanDerWaalsContact C-N 3.32Å; I367-L369 PolarHBondContact O-N 2.94Å; I367-E370 PolarHBondContact O-N 3.39Å; I367-V371 HydrophobicContact CG2-CG2 4.35Å; I367-V371 WeakPolarHBondContact O-CG2 3.35Å; I367-V371 PolarHBondContact O-N 3.5Å |
| 368 | L | 97.4 | Very high | 97.6 | Very high | 114 Ų | 114 | 97.9 Ų | 97.9 | 60% | 0.597 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62 | -40.1 | 177.9 | -76.6 | 171.2 | 0 | 0 | 0 | 112.2 | L364 T365 A366 T372 | L364-L368 WeakPolarHBondContact O-CB 3.3Å; L364-L368 VanDerWaalsContact O-CG 3.29Å; L364-L368 WeakPolarHBondContact O-CG 3.47Å; L364-L368 PolarHBondContact O-N 3.25Å; T365-L368 PolarHBondContact O-N 3.43Å; A366-L368 PolarHBondContact O-N 2.94Å; L368-T372 VanDerWaalsContact O-CB 3.3Å; L368-T372 WeakPolarHBondContact O-CB 3.42Å; L368-T372 PolarHBondContact O-N 3.39Å; L368-T372 PolarHBondContact O-OG1 2.77Å |
| 369 | L | 98 | Very high | 97.6 | Very high | 100 Ų | 100 | 94.7 Ų | 94.7 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.7 | -42 | 175.7 | -72.7 | 172.2 | 0 | 0 | 0 | 111.7 | T365 A366 I367 T372 N373 | T365-L369 HydrophobicContact CG2-CD1 4.3Å; T365-L369 WeakPolarHBondContact O-CG 3.29Å; T365-L369 PolarHBondContact O-N 3.36Å; A366-L369 PolarHBondContact O-N 3.29Å; I367-L369 VanDerWaalsContact C-N 3.32Å; I367-L369 PolarHBondContact O-N 2.94Å; L369-T372 PolarHBondContact O-N 3.31Å; L369-N373 VanDerWaalsContact O-CB 3.29Å; L369-N373 WeakPolarHBondContact O-CB 3.37Å; L369-N373 PolarHBondContact O-N 2.9Å; L369-N373 PolarHBondContact O-ND2 3.19Å |
| 370 | E | 97.6 | Very high | 97.6 | Very high | 141 Ų | 141 | 95.6 Ų | 95.6 | 66% | 0.659 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62 | -47.5 | 177 | -173.1 | 178.8 | 177.7 | 0 | 0 | 111.8 | A366 I367 N373 S374 | A366-E370 PolarHBondContact O-N 3.17Å; I367-E370 PolarHBondContact O-N 3.39Å; E370-N373 PolarHBondContact O-N 3.42Å; E370-S374 WeakPolarHBondContact O-CB 3.48Å; E370-S374 PolarHBondContact O-N 3.48Å |
| 371 | V | 98 | Very high | 97.6 | Very high | 80 Ų | 80 | 97 Ų | 97 | 49% | 0.485 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 177.2 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | I367 N373 S374 E375 | I367-V371 HydrophobicContact CG2-CG2 4.35Å; I367-V371 WeakPolarHBondContact O-CG2 3.35Å; I367-V371 PolarHBondContact O-N 3.5Å; V371-N373 PolarHBondContact O-N 3.25Å; V371-S374 PolarHBondContact O-N 2.99Å; V371-E375 WeakPolarHBondContact O-CB 3.49Å; V371-E375 PolarHBondContact O-N 3.31Å |
| 372 | T | 97.6 | Very high | 97.6 | Very high | 73 Ų | 73 | 98.9 Ų | 98.9 | 45% | 0.448 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 179.1 | -55 | 0 | 0 | 0 | 0 | 111.1 | L368 L369 E375 V376 | L368-T372 VanDerWaalsContact O-CB 3.3Å; L368-T372 WeakPolarHBondContact O-CB 3.42Å; L368-T372 PolarHBondContact O-N 3.39Å; L368-T372 PolarHBondContact O-OG1 2.77Å; L369-T372 PolarHBondContact O-N 3.31Å; T372-E375 PolarHBondContact O-N 2.98Å; T372-V376 HydrophobicContact CG2-CG2 4.47Å; T372-V376 WeakPolarHBondContact O-CB 3.4Å; T372-V376 VanDerWaalsContact O-CG2 3.26Å; T372-V376 WeakPolarHBondContact O-CG2 3.27Å; T372-V376 PolarHBondContact O-N 3.25Å |
| 373 | N | 97.9 | Very high | 97.6 | Very high | 95 Ų | 95 | 96.4 Ų | 96.4 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 177.8 | -71.8 | -15.2 | 0 | 0 | 0 | 111.3 | L369 E370 V371 E375 V376 E377 | L369-N373 VanDerWaalsContact O-CB 3.29Å; L369-N373 WeakPolarHBondContact O-CB 3.37Å; L369-N373 PolarHBondContact O-N 2.9Å; L369-N373 PolarHBondContact O-ND2 3.19Å; E370-N373 PolarHBondContact O-N 3.42Å; V371-N373 PolarHBondContact O-N 3.25Å; N373-E375 VanDerWaalsContact C-N 3.33Å; N373-E375 PolarHBondContact O-N 3.48Å; N373-V376 PolarHBondContact O-N 2.9Å; N373-E377 WeakPolarHBondContact O-CG 3.26Å; N373-E377 PolarHBondContact O-N 3.42Å |
| 374 | S | 97.6 | Very high | 97.5 | Very high | 73 Ų | 73 | 97.7 Ų | 97.7 | 51% | 0.51 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 176.3 | -177.6 | 0 | 0 | 0 | 0 | 112.4 | E370 V371 E377 A378 | E370-S374 WeakPolarHBondContact O-CB 3.48Å; E370-S374 PolarHBondContact O-N 3.48Å; V371-S374 PolarHBondContact O-N 2.99Å; S374-E377 PolarHBondContact O-N 3.28Å; S374-A378 WeakPolarHBondContact O-CB 3.42Å; S374-A378 PolarHBondContact O-N 2.93Å |
| 375 | E | 97.5 | Very high | 97.4 | Very high | 122 Ų | 122 | 98.4 Ų | 98.4 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.3 | -41 | 176.6 | -172.6 | 171.2 | -170.3 | 0 | 0 | 112 | V371 T372 N373 A378 I379 | V371-E375 WeakPolarHBondContact O-CB 3.49Å; V371-E375 PolarHBondContact O-N 3.31Å; T372-E375 PolarHBondContact O-N 2.98Å; N373-E375 VanDerWaalsContact C-N 3.33Å; N373-E375 PolarHBondContact O-N 3.48Å; E375-A378 PolarHBondContact O-N 3.28Å; E375-I379 HydrophobicContact CG-CD1 4.07Å; E375-I379 VanDerWaalsContact O-CG1 3.27Å; E375-I379 WeakPolarHBondContact O-CG1 3.45Å; E375-I379 PolarHBondContact O-N 2.84Å |
| 376 | V | 98.1 | Very high | 97.2 | Very high | 76 Ų | 76 | 98.5 Ų | 98.5 | 46% | 0.461 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 174.5 | 170 | 0 | 0 | 0 | 0 | 110.9 | T372 N373 A378 I379 C380 | T372-V376 HydrophobicContact CG2-CG2 4.47Å; T372-V376 WeakPolarHBondContact O-CB 3.4Å; T372-V376 VanDerWaalsContact O-CG2 3.26Å; T372-V376 WeakPolarHBondContact O-CG2 3.27Å; T372-V376 PolarHBondContact O-N 3.25Å; N373-V376 PolarHBondContact O-N 2.9Å; V376-A378 PolarHBondContact O-N 3.35Å; V376-I379 PolarHBondContact O-N 3.3Å; V376-C380 WeakPolarHBondContact O-CB 3.47Å; V376-C380 PolarHBondContact O-N 3.06Å; V376-C380 PolarHBondContact O-SG 2.87Å |
| 377 | E | 97.8 | Very high | 97 | Very high | 135 Ų | 135 | 103 Ų | 103 | 63% | 0.631 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.2 | -45.4 | 174.8 | -75.1 | 177.8 | -176.8 | 0 | 0 | 111.8 | N373 S374 I379 C380 E381 | N373-E377 WeakPolarHBondContact O-CG 3.26Å; N373-E377 PolarHBondContact O-N 3.42Å; S374-E377 PolarHBondContact O-N 3.28Å; E377-I379 VanDerWaalsContact C-N 3.34Å; E377-I379 PolarHBondContact O-N 2.87Å; E377-C380 PolarHBondContact O-N 3.41Å; E377-E381 WeakPolarHBondContact O-CB 3.43Å; E377-E381 PolarHBondContact O-N 2.91Å |
| 378 | A | 98.1 | Very high | 96.8 | Very high | 43 Ų | 43 | 106.5 Ų | 106.5 | 36% | 0.355 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64 | -36.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S374 E375 V376 R382 | S374-A378 WeakPolarHBondContact O-CB 3.42Å; S374-A378 PolarHBondContact O-N 2.93Å; E375-A378 PolarHBondContact O-N 3.28Å; V376-A378 PolarHBondContact O-N 3.35Å; A378-R382 VanDerWaalsContact O-CB 3.31Å; A378-R382 WeakPolarHBondContact O-CB 3.44Å; A378-R382 PolarHBondContact O-N 3.48Å |
| 379 | I | 97.6 | Very high | 96.5 | Very high | 80 Ų | 80 | 104.7 Ų | 104.7 | 41% | 0.41 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.8 | -45.4 | 174.4 | -69.4 | 165.9 | 0 | 0 | 0 | 110.3 | E375 V376 E377 R382 K383 | E375-I379 HydrophobicContact CG-CD1 4.07Å; E375-I379 VanDerWaalsContact O-CG1 3.27Å; E375-I379 WeakPolarHBondContact O-CG1 3.45Å; E375-I379 PolarHBondContact O-N 2.84Å; V376-I379 PolarHBondContact O-N 3.3Å; E377-I379 VanDerWaalsContact C-N 3.34Å; E377-I379 PolarHBondContact O-N 2.87Å; I379-R382 PolarHBondContact O-N 2.97Å; I379-K383 WeakPolarHBondContact O-CB 3.42Å; I379-K383 WeakPolarHBondContact O-CG 3.37Å; I379-K383 PolarHBondContact O-N 2.79Å |
| 380 | C | 97.3 | Very high | 95.8 | Very high | 78 Ų | 78 | 106.9 Ų | 106.9 | 53% | 0.527 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 177.3 | -74 | 0 | 0 | 0 | 0 | 111.7 | V376 E377 R382 K383 F384 | V376-C380 WeakPolarHBondContact O-CB 3.47Å; V376-C380 PolarHBondContact O-N 3.06Å; V376-C380 PolarHBondContact O-SG 2.87Å; E377-C380 PolarHBondContact O-N 3.41Å; C380-R382 PolarHBondContact O-N 3.29Å; C380-K383 PolarHBondContact O-N 3.42Å; C380-F384 WeakPolarHBondContact O-CB 3.31Å; C380-F384 PolarHBondContact O-N 3.14Å |
| 381 | E | 97.8 | Very high | 94.9 | Very high | 106 Ų | 106 | 103.1 Ų | 103.1 | 50% | 0.495 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.8 | -42.6 | 177.4 | -167.9 | -171.1 | 172.8 | 0 | 0 | 111.5 | E377 K383 F384 K385 | E377-E381 WeakPolarHBondContact O-CB 3.43Å; E377-E381 PolarHBondContact O-N 2.91Å; E381-K383 PolarHBondContact O-N 3.49Å; E381-F384 PolarHBondContact O-N 3.35Å; E381-K385 WeakPolarHBondContact O-CG 3.39Å; E381-K385 PolarHBondContact O-N 2.93Å; E381-K385 WeakPolarHBondContact OE1-CE 3.43Å; E381-K385 IonicContact OE1-NZ 3.48Å; E381-K385 PolarHBondContact OE1-NZ 3.41Å |
| 382 | R | 97 | Very high | 93.7 | Very high | 171 Ų | 171 | 105.8 Ų | 105.8 | 65% | 0.645 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.2 | -43.2 | 176.4 | -170.3 | -173.7 | -55.1 | 160.3 | 6.6 | 111.5 | A378 I379 C380 K385 E386 | A378-R382 VanDerWaalsContact O-CB 3.31Å; A378-R382 WeakPolarHBondContact O-CB 3.44Å; A378-R382 PolarHBondContact O-N 3.48Å; I379-R382 PolarHBondContact O-N 2.97Å; C380-R382 PolarHBondContact O-N 3.29Å; R382-K385 PolarHBondContact O-N 3.48Å; R382-E386 WeakPolarHBondContact O-CB 3.2Å; R382-E386 PolarHBondContact O-N 2.92Å |
| 383 | K | 96.5 | Very high | 92.3 | Very high | 120 Ų | 120 | 109.5 Ų | 109.5 | 52% | 0.522 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.8 | -41.8 | 178.3 | -77.9 | -72.8 | 166.9 | -157.9 | 0 | 112.1 | I379 C380 E381 K385 E386 E387 | I379-K383 WeakPolarHBondContact O-CB 3.42Å; I379-K383 WeakPolarHBondContact O-CG 3.37Å; I379-K383 PolarHBondContact O-N 2.79Å; C380-K383 PolarHBondContact O-N 3.42Å; E381-K383 PolarHBondContact O-N 3.49Å; K383-K385 PolarHBondContact O-N 3.29Å; K383-E386 IonicContact NZ-OE2 2.79Å; K383-E386 PolarHBondContact NZ-OE2 2.99Å; K383-E386 PolarHBondContact O-N 3.47Å; K383-E387 WeakPolarHBondContact O-CB 3.43Å; K383-E387 PolarHBondContact O-N 2.96Å |
| 384 | F | 95.8 | Very high | 91 | Very high | 137 Ų | 137 | 113.1 Ų | 113.1 | 60% | 0.601 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.1 | -42.7 | 174.6 | -176.1 | -101.6 | 0 | 0 | 0 | 112 | C380 E381 E387 K388 | C380-F384 WeakPolarHBondContact O-CB 3.31Å; C380-F384 PolarHBondContact O-N 3.14Å; E381-F384 PolarHBondContact O-N 3.35Å; F384-E387 PolarHBondContact O-N 3.2Å; F384-K388 WeakPolarHBondContact O-CB 3.42Å; F384-K388 PolarHBondContact O-N 3.49Å |
| 385 | K | 95.8 | Very high | 89.7 | Confident | 121 Ų | 121 | 117 Ų | 117 | 53% | 0.526 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.8 | -42.5 | 174.5 | -73.5 | 177.2 | -175.2 | 167.8 | 0 | 112.5 | E381 R382 K383 E387 K388 S389 | E381-K385 WeakPolarHBondContact O-CG 3.39Å; E381-K385 PolarHBondContact O-N 2.93Å; E381-K385 WeakPolarHBondContact OE1-CE 3.43Å; E381-K385 IonicContact OE1-NZ 3.48Å; E381-K385 PolarHBondContact OE1-NZ 3.41Å; R382-K385 PolarHBondContact O-N 3.48Å; K383-K385 PolarHBondContact O-N 3.29Å; K385-E387 VanDerWaalsContact C-N 3.31Å; K385-E387 PolarHBondContact O-N 3.47Å; K385-K388 PolarHBondContact O-N 3.47Å; K385-S389 PolarHBondContact O-N 3.18Å; K385-S389 PolarHBondContact O-OG 3.37Å |
| 386 | E | 94.4 | Very high | 88.2 | Confident | 73 Ų | 73 | 120.5 Ų | 120.5 | 34% | 0.341 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.3 | -38.1 | 177.4 | -168.5 | -165.9 | 157.2 | 0 | 0 | 112 | R382 K383 S389 K390 | R382-E386 WeakPolarHBondContact O-CB 3.2Å; R382-E386 PolarHBondContact O-N 2.92Å; K383-E386 IonicContact NZ-OE2 2.79Å; K383-E386 PolarHBondContact NZ-OE2 2.99Å; K383-E386 PolarHBondContact O-N 3.47Å; E386-S389 PolarHBondContact O-OG 3.01Å; E386-K390 WeakPolarHBondContact O-CG 3.37Å; E386-K390 PolarHBondContact O-N 2.65Å; E386-K390 IonicContact OE1-NZ 2.79Å; E386-K390 PolarHBondContact OE1-NZ 2.96Å |
| 387 | E | 92.5 | Very high | 86.7 | Confident | 151 Ų | 151 | 125.7 Ų | 125.7 | 71% | 0.706 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72 | -43.7 | 176.6 | -172 | 169.8 | -166 | 0 | 0 | 111.4 | K383 F384 K385 S389 K390 | K383-E387 WeakPolarHBondContact O-CB 3.43Å; K383-E387 PolarHBondContact O-N 2.96Å; F384-E387 PolarHBondContact O-N 3.2Å; K385-E387 VanDerWaalsContact C-N 3.31Å; K385-E387 PolarHBondContact O-N 3.47Å; E387-S389 VanDerWaalsContact C-N 3.32Å; E387-S389 PolarHBondContact O-N 2.95Å; E387-K390 PolarHBondContact O-N 3.22Å |
| 388 | K | 92.8 | Very high | 84.9 | Confident | 148 Ų | 148 | 127.2 Ų | 127.2 | 64% | 0.643 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -61.8 | -38.1 | 176.6 | -167.5 | 176 | 179.9 | 178 | 0 | 112.4 | F384 K385 K390 G391 | F384-K388 WeakPolarHBondContact O-CB 3.42Å; F384-K388 PolarHBondContact O-N 3.49Å; K385-K388 PolarHBondContact O-N 3.47Å; K388-K390 VanDerWaalsContact C-N 3.3Å; K388-K390 PolarHBondContact O-N 3.28Å; K388-G391 PolarHBondContact O-N 2.95Å |
| 389 | S | 89.9 | Confident | 83 | Confident | 76 Ų | 76 | 129 Ų | 129 | 53% | 0.531 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -71.9 | -19 | 178.2 | 59.6 | 0 | 0 | 0 | 0 | 114.3 | K385 E386 E387 G391 | K385-S389 PolarHBondContact O-N 3.18Å; K385-S389 PolarHBondContact O-OG 3.37Å; E386-S389 PolarHBondContact O-OG 3.01Å; E387-S389 VanDerWaalsContact C-N 3.32Å; E387-S389 PolarHBondContact O-N 2.95Å; S389-G391 VanDerWaalsContact C-N 3.33Å |
| 390 | K | 85.2 | Confident | 81.3 | Confident | 146 Ų | 146 | 131.3 Ų | 131.3 | 64% | 0.635 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -11.4 | 179.2 | -77.8 | 175.7 | -171.3 | 164.8 | 0 | 113.6 | E386 E387 K388 | E386-K390 WeakPolarHBondContact O-CG 3.37Å; E386-K390 PolarHBondContact O-N 2.65Å; E386-K390 IonicContact OE1-NZ 2.79Å; E386-K390 PolarHBondContact OE1-NZ 2.96Å; E387-K390 PolarHBondContact O-N 3.22Å; K388-K390 VanDerWaalsContact C-N 3.3Å; K388-K390 PolarHBondContact O-N 3.28Å |
| 391 | G | 77.8 | Confident | 79.3 | Confident | 62 Ų | 62 | 133.3 Ų | 133.3 | 64% | 0.639 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -103.4 | -7.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | K388 S389 | K388-G391 PolarHBondContact O-N 2.95Å; S389-G391 VanDerWaalsContact C-N 3.33Å |
| 392 | D | 72.4 | Confident | 77.8 | Confident | 135 Ų | 135 | 137.2 Ų | 137.2 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -105.2 | 3.5 | -170 | -138.9 | 14.8 | 0 | 0 | 0 | 113.5 | | |
| 393 | D | 69.3 | Low | 75.8 | Confident | 151 Ų | 151 | 138.4 Ų | 138.4 | 81% | 0.807 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -101 | 8.8 | -173 | -115.7 | -3.4 | 0 | 0 | 0 | 113.9 | | |
| 394 | E | 70 | Confident | 73.9 | Confident | 171 Ų | 171 | 136.4 Ų | 136.4 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -105.6 | -4.9 | -174.9 | -64.2 | -86.4 | 148.6 | 0 | 0 | 114.5 | | |
| 395 | D | 69.3 | Low | 71.9 | Confident | 155 Ų | 155 | 134.4 Ų | 134.4 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -114.7 | 6.6 | -169.1 | -76.4 | -28.6 | 0 | 0 | 0 | 116.9 | | |
| 396 | E | 66.8 | Low | 69.9 | Low | 195 Ų | 195 | 134.8 Ų | 134.8 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -109.9 | 16.2 | -179.8 | -76.4 | -93.3 | 155.3 | 0 | 0 | 114.6 | | |
| 397 | Q | 66 | Low | 67.9 | Low | 186 Ų | 186 | 134.9 Ų | 134.9 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | | | trans | -100.5 | 29.1 | -178.3 | -144.3 | -172.8 | 2.6 | 0 | 0 | 116.2 | | |
| 398 | D | 60.5 | Low | 66 | Low | 167 Ų | 167 | 133.4 Ų | 133.4 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -126.6 | 108 | 172.8 | -90.2 | -34.5 | 0 | 0 | 0 | 113 | | |
| 399 | G | 57.8 | Low | 64.2 | Low | 80 Ų | 80 | 133.3 Ų | 133.3 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | 99.4 | 70.9 | 144.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 400 | S | 61.7 | Low | 62.5 | Low | 129 Ų | 129 | 140.8 Ų | 140.8 | 90% | 0.902 | 82% | 0.82 | S | S | * | * | | | trans | -138.5 | 86.7 | 147.6 | -165.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 401 | S | 56.7 | Low | 61.1 | Low | 119 Ų | 119 | 138.7 Ų | 138.7 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | | | trans | -104.2 | 105.6 | 165.6 | 56.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 402 | E | 65.8 | Low | 60.2 | Low | 188 Ų | 188 | 140.9 Ų | 140.9 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | | | trans | -152.3 | 143.2 | 148 | -168.8 | 168.9 | 126.1 | 0 | 0 | 109.9 | | |
| 403 | E | 54.4 | Low | 59.6 | Low | 197 Ų | 197 | 143 Ų | 143 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | | | trans | -71.8 | 144.6 | -158.2 | -56.6 | 174.5 | 137.2 | 0 | 0 | 114 | | |
| 404 | G | 56.7 | Low | 58.6 | Low | 78 Ų | 78 | 145.9 Ų | 145.9 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | | | trans | -163.1 | 88.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 405 | A | 53.1 | Low | 58 | Low | 94 Ų | 94 | 143.3 Ų | 143.3 | 78% | 0.777 | 83% | 0.831 | S | S | * | * | | | trans | -68.6 | 161.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 406 | S | 54.9 | Low | 57.4 | Low | 129 Ų | 129 | 143.8 Ų | 143.8 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | | | trans | 76.3 | 127.1 | 168.9 | 79.5 | 0 | 0 | 0 | 0 | 115 | | |
| 407 | G | 51.3 | Low | 56.9 | Low | 76 Ų | 76 | 145.4 Ų | 145.4 | 78% | 0.784 | 82% | 0.823 | S | S | * | * | | | cis | 150.4 | 110.6 | 11.5 | 0 | 0 | 0 | 0 | 0 | 105.5 | | |
| 408 | S | 54.6 | Low | 56.9 | Low | 119 Ų | 119 | 142 Ų | 142 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | | | trans | -169.3 | 101.9 | 163.6 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 409 | D | 54.4 | Low | 56.8 | Low | 147 Ų | 147 | 139 Ų | 139 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | | | trans | -43.5 | 133.9 | 155.7 | -73.9 | -58.9 | 0 | 0 | 0 | 111.8 | | |
| 410 | R | 54.7 | Low | 57.3 | Low | 232 Ų | 232 | 140 Ų | 140 | 88% | 0.875 | 80% | 0.804 | S | S | * | * | | | | 167.6 | 115.7 | 114.6 | -90.5 | 173.6 | 173.2 | -175.1 | -1.9 | 112.7 | | |
| 411 | S | 55 | Low | 57.6 | Low | 103 Ų | 103 | 139.9 Ų | 139.9 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | | | | 72.7 | 119.5 | 127.9 | -68.3 | 0 | 0 | 0 | 0 | 121.6 | | |
| 412 | S | 58.1 | Low | 58 | Low | 107 Ų | 107 | 143.5 Ų | 143.5 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | trans | 63.2 | 128.5 | 141.1 | 52.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 413 | E | 60.2 | Low | 57.9 | Low | 181 Ų | 181 | 145.2 Ų | 145.2 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | | | | -162.4 | 134.1 | 52.3 | -156.8 | 160.2 | 143.5 | 0 | 0 | 111.4 | T415 | E413-T415 PolarHBondContact O-N 3.34Š|
| 414 | R | 48.9 | Very low | 58.8 | Low | 210 Ų | 210 | 139.7 Ų | 139.7 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | | | trans | -89.1 | 94.8 | -167.7 | -175.2 | -174.3 | -173.9 | -167.6 | 6.2 | 109.8 | | |
| 415 | T | 56.3 | Low | 59.6 | Low | 118 Ų | 118 | 142.1 Ų | 142.1 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | | | trans | -101.1 | 96 | 169.4 | -44.9 | 0 | 0 | 0 | 0 | 110.2 | E413 R417 | E413-T415 PolarHBondContact O-N 3.34Å; T415-R417 PolarHBondContact O-N 3.39Å |
| 416 | K | 57.8 | Low | 60.5 | Low | 164 Ų | 164 | 145.5 Ų | 145.5 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | | | trans | -61.5 | 97.4 | 168.6 | -65.9 | 179 | 178 | -179.5 | 0 | 109.2 | | |
| 417 | R | 56.8 | Low | 61.7 | Low | 230 Ų | 230 | 145.3 Ų | 145.3 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | | | trans | -94.7 | 100.2 | 157.8 | -82 | -176.2 | 164.5 | -162 | -3.1 | 107.7 | T415 S419 | T415-R417 PolarHBondContact O-N 3.39Å; R417-S419 PolarHBondContact O-N 2.98Å |
| 418 | S | 64.3 | Low | 63.1 | Low | 115 Ų | 115 | 147.1 Ų | 147.1 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -50.8 | 123.1 | 166.9 | 44.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 419 | S | 59.2 | Low | 64.3 | Low | 102 Ų | 102 | 146.7 Ų | 146.7 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | | | trans | -52.1 | 140.4 | 172.7 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | R417 V421 | R417-S419 PolarHBondContact O-N 2.98Å; S419-V421 PolarHBondContact O-N 3.16Å; S419-V421 VanDerWaalsContact O-N 3.14Å |
| 420 | P | 69.1 | Low | 65.3 | Low | 103 Ų | 103 | 145.7 Ų | 145.7 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | | | trans | -67.7 | 113.8 | 169.1 | 28.3 | -29.5 | 0 | 0 | 0 | 108 | F422 | P420-F422 PolarHBondContact O-N 3.39Š|
| 421 | V | 68.4 | Low | 66.3 | Low | 125 Ų | 125 | 140.3 Ų | 140.3 | 76% | 0.758 | 78% | 0.776 | S | S | * | * | | | trans | -62.3 | 103.1 | 164.5 | 173.7 | 0 | 0 | 0 | 0 | 106.5 | S419 R423 | S419-V421 PolarHBondContact O-N 3.16Å; S419-V421 VanDerWaalsContact O-N 3.14Å; V421-R423 VanDerWaalsContact C-N 3.27Å; V421-R423 HydrophobicContact CG1-CG 4.28Å; V421-R423 PolarHBondContact O-N 3.5Å |
| 422 | F | 64.8 | Low | 66.9 | Low | 195 Ų | 195 | 144.4 Ų | 144.4 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | | | trans | -60.6 | 94.8 | 163.9 | -82.7 | -89.9 | 0 | 0 | 0 | 107.5 | P420 A424 | P420-F422 PolarHBondContact O-N 3.39Å; F422-A424 PolarHBondContact O-N 3.25Å |
| 423 | R | 63.5 | Low | 67.1 | Low | 225 Ų | 225 | 145.3 Ų | 145.3 | 85% | 0.849 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 116.2 | 164 | -78.5 | -170.6 | 172.4 | -178.6 | -1.6 | 106.9 | V421 | V421-R423 VanDerWaalsContact C-N 3.27Å; V421-R423 HydrophobicContact CG1-CG 4.28Å; V421-R423 PolarHBondContact O-N 3.5Å |
| 424 | A | 72.6 | Confident | 67 | Low | 81 Ų | 81 | 143 Ų | 143 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 144.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | F422 L426 | F422-A424 PolarHBondContact O-N 3.25Å; A424-L426 PolarHBondContact O-N 3.38Å; A424-L426 VanDerWaalsContact O-N 3.12Å |
| 425 | P | 73.9 | Confident | 67.3 | Low | 128 Ų | 128 | 138.2 Ų | 138.2 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 121.8 | 176.9 | -21 | 30.3 | 0 | 0 | 0 | 109.9 | T427 | P425-T427 PolarHBondContact O-N 3.45Š|
| 426 | L | 72.9 | Confident | 67.4 | Low | 166 Ų | 166 | 138 Ų | 138 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 130.3 | 171.2 | -76 | 163.8 | 0 | 0 | 0 | 108.4 | A424 | A424-L426 PolarHBondContact O-N 3.38Å; A424-L426 VanDerWaalsContact O-N 3.12Å |
| 427 | T | 80.1 | Confident | 67.1 | Low | 124 Ų | 124 | 136.6 Ų | 136.6 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 138.9 | 173.2 | 41.5 | 0 | 0 | 0 | 0 | 109.9 | P425 | P425-T427 PolarHBondContact O-N 3.45Š|
| 428 | P | 80.2 | Confident | 67 | Low | 114 Ų | 114 | 136.6 Ų | 136.6 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 143.9 | 176.5 | 24.2 | -32.5 | 0 | 0 | 0 | 110.1 | | |
| 429 | P | 78.8 | Confident | 66.5 | Low | 110 Ų | 110 | 140.4 Ų | 140.4 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 145 | 177 | 25.9 | -33.6 | 0 | 0 | 0 | 110.2 | S431 | P429-S431 PolarHBondContact O-N 3.17Å; P429-S431 VanDerWaalsContact O-N 3.12Å |
| 430 | P | 77 | Confident | 66.3 | Low | 127 Ų | 127 | 142.8 Ų | 142.8 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 118.9 | -179.9 | 23.8 | -32.5 | 0 | 0 | 0 | 110.4 | K432 | P430-K432 PolarHBondContact O-N 3.4Š|
| 431 | S | 75.6 | Confident | 65.4 | Low | 118 Ų | 118 | 147.7 Ų | 147.7 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 122.1 | 171 | -22.9 | 0 | 0 | 0 | 0 | 108.4 | P429 | P429-S431 PolarHBondContact O-N 3.17Å; P429-S431 VanDerWaalsContact O-N 3.12Å |
| 432 | K | 65.8 | Low | 64.7 | Low | 190 Ų | 190 | 153.7 Ų | 153.7 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 137.6 | 175.5 | -68.3 | 178.5 | 178.8 | 177.1 | 0 | 109.8 | P430 T434 | P430-K432 PolarHBondContact O-N 3.4Å; K432-T434 PolarHBondContact O-N 3.5Å; K432-T434 VanDerWaalsContact O-N 3.13Å |
| 433 | P | 64.2 | Low | 63.8 | Low | 125 Ų | 125 | 147.5 Ų | 147.5 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | | | trans | -68.8 | 111.4 | 172.3 | 27.3 | -31.3 | 0 | 0 | 0 | 109.1 | S435 | P433-S435 PolarHBondContact O-N 3.1Š|
| 434 | T | 56.6 | Low | 63 | Low | 133 Ų | 133 | 146 Ų | 146 | 82% | 0.816 | 82% | 0.816 | S | S | * | * | | | trans | -74.8 | 102.1 | 160.6 | 45.4 | 0 | 0 | 0 | 0 | 107.4 | K432 S436 | K432-T434 PolarHBondContact O-N 3.5Å; K432-T434 VanDerWaalsContact O-N 3.13Å; T434-S436 PolarHBondContact O-N 3.42Å |
| 435 | S | 56 | Low | 62.1 | Low | 109 Ų | 109 | 148.8 Ų | 148.8 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | | | trans | -63.1 | 96.4 | 168.4 | 57.3 | 0 | 0 | 0 | 0 | 108.9 | P433 | P433-S435 PolarHBondContact O-N 3.1Š|
| 436 | S | 58.7 | Low | 61.1 | Low | 115 Ų | 115 | 148.1 Ų | 148.1 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | -94.1 | 96.2 | 168.5 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | T434 | T434-S436 PolarHBondContact O-N 3.42Š|
| 437 | T | 51.4 | Low | 60 | Low | 133 Ų | 133 | 146.7 Ų | 146.7 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | | | trans | -68.5 | 129.5 | 178.6 | -19.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 438 | R | 53.9 | Low | 58.8 | Low | 231 Ų | 231 | 145.9 Ų | 145.9 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | | | trans | -58.1 | 145.3 | 179.9 | -73.7 | 173.4 | 174.3 | -179.4 | -2 | 112.8 | | |
| 439 | K | 53.4 | Low | 57.5 | Low | 195 Ų | 195 | 150.2 Ų | 150.2 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | | | trans | 15.4 | 128.6 | 137.7 | -68.2 | -177.8 | 172.7 | 178.9 | 0 | 116.4 | | |
| 440 | T | 56.3 | Low | 56.4 | Low | 151 Ų | 151 | 152.5 Ų | 152.5 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | | | | -163.9 | 134 | 119.1 | 19 | 0 | 0 | 0 | 0 | 110.2 | | |
| 441 | K | 50.4 | Low | 55.2 | Low | 207 Ų | 207 | 155.8 Ų | 155.8 | 90% | 0.9 | 80% | 0.799 | S | S | * | * | | | trans | -104.4 | 109.8 | 178.2 | 170 | -174.5 | -178.5 | 178 | 0 | 106.2 | | |
| 442 | R | 51.9 | Low | 54.1 | Low | 251 Ų | 251 | 159.4 Ų | 159.4 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | | | trans | 178.6 | 141.6 | 155 | -125.4 | 177.6 | 175.2 | -167.6 | -2.8 | 112.9 | | |
| 443 | G | 46.8 | Very low | 53.3 | Low | 65 Ų | 65 | 158.1 Ų | 158.1 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | | | trans | 78.1 | 105.2 | 154.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 444 | E | 47.6 | Very low | 52.7 | Low | 194 Ų | 194 | 158.4 Ų | 158.4 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | | | | 54.6 | 101.2 | 84.1 | -74.7 | -177.7 | 145.5 | 0 | 0 | 113.8 | | |
| 445 | N | 52.8 | Low | 52.3 | Low | 139 Ų | 139 | 157.2 Ų | 157.2 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | | | | 86.9 | 137.4 | 127.5 | -146 | 23.4 | 0 | 0 | 0 | 120.8 | | |
| 446 | D | 53.4 | Low | 52.3 | Low | 113 Ų | 113 | 157.8 Ų | 157.8 | 60% | 0.604 | 79% | 0.794 | S | S | * | * | | | trans | 65.1 | 107 | 152.9 | -82.6 | -44.2 | 0 | 0 | 0 | 122.3 | | |
| 447 | N | 50.2 | Low | 51.9 | Low | 137 Ų | 137 | 161.7 Ų | 161.7 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | | | | 62 | 114.4 | 120.8 | -79.1 | -34.9 | 0 | 0 | 0 | 121.5 | | |
| 448 | S | 52.8 | Low | 52.1 | Low | 107 Ų | 107 | 165.4 Ų | 165.4 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | trans | 93 | 133.1 | 130.7 | 84.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 449 | R | 53.4 | Low | 52.1 | Low | 205 Ų | 205 | 165.2 Ų | 165.2 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | | | | 104.9 | 108.6 | 129.4 | -151.3 | 172.9 | -148.9 | -154.7 | 5.5 | 118.2 | | |
| 450 | K | 55.9 | Low | 52.1 | Low | 158 Ų | 158 | 162.2 Ų | 162.2 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | | | trans | 73 | 114.4 | 138 | -71.2 | -177.2 | -179.5 | -169.2 | 0 | 118.5 | | |
| 451 | Y | 51.7 | Low | 52.1 | Low | 196 Ų | 196 | 163.3 Ų | 163.3 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | | 96.8 | 146.1 | 76.8 | -102.9 | -89.7 | 0 | 0 | 0 | 112.9 | | |
| 452 | Y | 52.8 | Low | 52.5 | Low | 194 Ų | 194 | 158.2 Ų | 158.2 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | | | trans | 93.6 | 104.1 | 171.8 | -57.2 | -72.3 | 0 | 0 | 0 | 116.9 | | |
| 453 | E | 48.7 | Very low | 52.4 | Low | 163 Ų | 163 | 154.2 Ų | 154.2 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | | 71.7 | 114.8 | 83.3 | -82.9 | -168.7 | 144.6 | 0 | 0 | 112.8 | | |
| 454 | T | 51.1 | Low | 52.7 | Low | 131 Ų | 131 | 155.4 Ų | 155.4 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | | 174.6 | 128 | 90.2 | 25.1 | 0 | 0 | 0 | 0 | 107.2 | | |
| 455 | S | 49.6 | Very low | 53.2 | Low | 108 Ų | 108 | 155.7 Ų | 155.7 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | | 68.8 | 103 | 73.1 | -162.8 | 0 | 0 | 0 | 0 | 116.5 | | |
| 456 | S | 54.7 | Low | 53 | Low | 120 Ų | 120 | 157.3 Ų | 157.3 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | | | trans | -170.4 | 92 | 155.2 | -171.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 457 | R | 50.3 | Low | 53.1 | Low | 197 Ų | 197 | 161 Ų | 161 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | | 60.6 | 110.6 | 75.5 | -89.2 | -168.6 | 178.7 | -168.5 | 1.9 | 117.6 | | |
| 458 | R | 55.6 | Low | 53 | Low | 211 Ų | 211 | 165.5 Ų | 165.5 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | | | trans | 96.4 | 114.9 | 137.7 | -66 | 175.5 | 170.9 | -171.2 | -3.1 | 120.2 | | |
| 459 | R | 54.5 | Low | 53.2 | Low | 228 Ų | 228 | 165.8 Ų | 165.8 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | | 170.8 | 119.6 | 108.4 | -93.4 | 178.6 | -173.7 | 178.2 | 3.5 | 108.9 | | |
| 460 | D | 52.8 | Low | 53.2 | Low | 131 Ų | 131 | 161.6 Ų | 161.6 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | | | | 59.9 | 127.6 | 94.7 | -86.8 | -11.8 | 0 | 0 | 0 | 111.7 | | |
| 461 | K | 57.1 | Low | 53 | Low | 174 Ų | 174 | 161.2 Ų | 161.2 | 76% | 0.757 | 80% | 0.796 | S | S | * | * | | | cis | -178.2 | 144.4 | 33.7 | -116.2 | 163 | -171.4 | 178.5 | 0 | 110.2 | | |
| 462 | S | 57.7 | Low | 52.9 | Low | 101 Ų | 101 | 157 Ų | 157 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | | | trans | 50.6 | 117.1 | 141.7 | 53.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 463 | D | 50.3 | Low | 52.8 | Low | 167 Ų | 167 | 155.7 Ų | 155.7 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | | | | 78.4 | 116.6 | 81.8 | -104.1 | -28.5 | 0 | 0 | 0 | 114.8 | | |
| 464 | A | 53.3 | Low | 53.2 | Low | 89 Ų | 89 | 157.2 Ų | 157.2 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | | | trans | 171.5 | 115.7 | 133.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 465 | K | 58.2 | Low | 53.1 | Low | 200 Ų | 200 | 159.5 Ų | 159.5 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | | | trans | 79.6 | 111 | 131.2 | -65.9 | -177 | 177.6 | -179.7 | 0 | 122 | | |
| 466 | H | 48.5 | Very low | 53.6 | Low | 174 Ų | 174 | 162.2 Ų | 162.2 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | | | trans | -43.7 | 143.2 | 152.8 | -74.5 | -75.2 | 0 | 0 | 0 | 115.9 | | |
| 467 | H | 55.9 | Low | 53 | Low | 189 Ų | 189 | 164.6 Ų | 164.6 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | | | trans | -144.4 | 117.5 | 134.9 | -87 | -70.2 | 0 | 0 | 0 | 109.7 | | |
| 468 | R | 49 | Very low | 53.1 | Low | 233 Ų | 233 | 161 Ų | 161 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | | | trans | -115.7 | 116.5 | 173.7 | -167.2 | -175.4 | -166 | -167.3 | 4.5 | 105.5 | | |
| 469 | S | 56.5 | Low | 52.7 | Low | 113 Ų | 113 | 156.1 Ų | 156.1 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | | | trans | -138.8 | 107.4 | 174.3 | -57 | 0 | 0 | 0 | 0 | 109.6 | | |
| 470 | S | 52.5 | Low | 52.7 | Low | 116 Ų | 116 | 156.9 Ų | 156.9 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | | | trans | -67.8 | 141.8 | 168.6 | -48.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 471 | N | 52 | Low | 52.6 | Low | 150 Ų | 150 | 158.4 Ų | 158.4 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | | | trans | -125.6 | 110.6 | 164.8 | -164.2 | 14.7 | 0 | 0 | 0 | 109.1 | | |
| 472 | S | 49.8 | Very low | 52 | Low | 109 Ų | 109 | 153.3 Ų | 153.3 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | | | trans | -109.5 | 115.7 | 169.2 | 57.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 473 | F | 51.7 | Low | 51.5 | Low | 165 Ų | 165 | 157.6 Ų | 157.6 | 72% | 0.724 | 81% | 0.809 | S | S | * | * | | | trans | -130 | 99.6 | 175.5 | -148.5 | -95.3 | 0 | 0 | 0 | 112.2 | | |
| 474 | R | 56 | Low | 51.5 | Low | 196 Ų | 196 | 155.1 Ų | 155.1 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | | | trans | 42.5 | 110.6 | 139.6 | -68.3 | -174 | 169.6 | -152.3 | -2.7 | 119.8 | | |
| 475 | H | 48.5 | Very low | 51.2 | Low | 178 Ų | 178 | 157.9 Ų | 157.9 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | | | trans | -59.3 | 131.9 | 148.2 | -77.5 | -81.6 | 0 | 0 | 0 | 111.4 | | |
| 476 | H | 60.7 | Low | 51.1 | Low | 166 Ų | 166 | 156.1 Ų | 156.1 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | trans | -101.9 | 109.5 | 159.5 | -89.5 | -80.1 | 0 | 0 | 0 | 108.9 | | |
| 477 | H | 43 | Very low | 51 | Low | 169 Ų | 169 | 153.2 Ų | 153.2 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | | | trans | -71.5 | 130.8 | 159.7 | -68.6 | -82.9 | 0 | 0 | 0 | 108.5 | | |
| 478 | S | 52.3 | Low | 51 | Low | 122 Ų | 122 | 154.1 Ų | 154.1 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | -125.9 | 98.1 | 165.3 | -162.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 479 | S | 46.5 | Very low | 50.9 | Low | 108 Ų | 108 | 149 Ų | 149 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | trans | -105.8 | 122.1 | 167.5 | -35.1 | 0 | 0 | 0 | 0 | 106.1 | | |
| 480 | R | 55.2 | Low | 50.8 | Low | 244 Ų | 244 | 151.4 Ų | 151.4 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | | | trans | -133 | 110.4 | 168.5 | -165.5 | 170.3 | -179.9 | 176.7 | -1 | 110.3 | | |
| 481 | N | 49.5 | Very low | 50.4 | Low | 164 Ų | 164 | 152 Ų | 152 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | | | trans | -67.2 | 161.1 | 173.8 | -77.1 | -8.2 | 0 | 0 | 0 | 114.1 | | |
| 482 | G | 44.3 | Very low | 50.5 | Low | 67 Ų | 67 | 150.5 Ų | 150.5 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | | | trans | 125.3 | 133.6 | 154.3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 483 | F | 47.7 | Very low | 50.2 | Low | 190 Ų | 190 | 153.7 Ų | 153.7 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | | | cis | -174.5 | 152.5 | 16.1 | -145.4 | -110.5 | 0 | 0 | 0 | 108.4 | | |
| 484 | T | 49.6 | Very low | 50.2 | Low | 115 Ų | 115 | 155.8 Ų | 155.8 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | | | trans | 61 | 112.3 | 159.6 | 47.2 | 0 | 0 | 0 | 0 | 119.2 | | |
| 485 | H | 47.6 | Very low | 50.2 | Low | 147 Ų | 147 | 150.4 Ų | 150.4 | 68% | 0.681 | 79% | 0.792 | S | S | * | * | | | | 60.5 | 103.9 | 51.7 | -141 | -58.2 | 0 | 0 | 0 | 114.3 | D487 | H485-D487 IonicContact CE1-OD2 3.23Å; H485-D487 PolarHBondContact CE1-OD2 3.38Å |
| 486 | D | 55.7 | Low | 50.6 | Low | 164 Ų | 164 | 151.5 Ų | 151.5 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | | | trans | -161.5 | 134.7 | 133.9 | -104.4 | -32 | 0 | 0 | 0 | 113.1 | | |
| 487 | D | 47.9 | Very low | 50.1 | Low | 113 Ų | 113 | 153.5 Ų | 153.5 | 60% | 0.604 | 80% | 0.801 | S | S | * | * | | | trans | -68.3 | 152.3 | -174.8 | -77.6 | -61.4 | 0 | 0 | 0 | 114.4 | H485 | H485-D487 IonicContact CE1-OD2 3.23Å; H485-D487 PolarHBondContact CE1-OD2 3.38Å |
| 488 | K | 54.5 | Low | 50.4 | Low | 207 Ų | 207 | 149.9 Ų | 149.9 | 90% | 0.9 | 80% | 0.8 | S | S | * | * | | | trans | -166.8 | 88.6 | 134.8 | -105.4 | 162.8 | -169.8 | -177.5 | 0 | 111.4 | | |
| 489 | V | 48.4 | Very low | 50.7 | Low | 125 Ų | 125 | 153.7 Ų | 153.7 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | | | trans | -77.2 | 126.9 | 154 | -167.5 | 0 | 0 | 0 | 0 | 106.5 | | |
| 490 | N | 52.7 | Low | 51 | Low | 165 Ų | 165 | 158.1 Ų | 158.1 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | | | trans | -134.1 | 110.2 | 162.3 | -122.4 | 6.5 | 0 | 0 | 0 | 110.1 | | |
| 491 | D | 45.1 | Very low | 51.3 | Low | 129 Ų | 129 | 151.7 Ų | 151.7 | 69% | 0.69 | 80% | 0.8 | S | S | * | * | | | trans | -85.7 | 134.1 | 178.1 | -170.8 | 2.5 | 0 | 0 | 0 | 108.7 | | |
| 492 | S | 54.9 | Low | 51.5 | Low | 118 Ų | 118 | 153.7 Ų | 153.7 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | -162.4 | 78.4 | 161.2 | 53.5 | 0 | 0 | 0 | 0 | 112 | | |
| 493 | H | 43.4 | Very low | 52 | Low | 176 Ų | 176 | 159.5 Ų | 159.5 | 82% | 0.815 | 81% | 0.807 | S | S | * | * | | | trans | -63.7 | 124.2 | 143.4 | -83.5 | -77.2 | 0 | 0 | 0 | 109.7 | | |
| 494 | K | 50.5 | Low | 52.5 | Low | 208 Ų | 208 | 160.3 Ų | 160.3 | 90% | 0.904 | 83% | 0.828 | S | S | * | * | | | trans | 179.5 | 132.4 | 144.1 | -105.9 | 165.5 | -176.5 | 175.9 | 0 | 113.3 | | |
| 495 | A | 55.9 | Low | 52.7 | Low | 83 Ų | 83 | 162.6 Ų | 162.6 | 69% | 0.686 | 83% | 0.834 | S | S | * | * | | | trans | 90.6 | 136.7 | 142 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 496 | K | 57.9 | Low | 52.9 | Low | 202 Ų | 202 | 163.4 Ų | 163.4 | 88% | 0.878 | 84% | 0.842 | S | S | * | * | | | cis | -164.4 | 143 | 8.1 | -115.3 | 163.2 | -173.1 | 177.5 | 0 | 109 | | |
| 497 | K | 48.9 | Very low | 52.8 | Low | 208 Ų | 208 | 163.4 Ų | 163.4 | 90% | 0.904 | 84% | 0.84 | S | S | * | * | | | trans | -60.2 | 156.9 | 167.8 | -88.6 | 173.2 | 166.6 | 173.4 | 0 | 114 | | |
| 498 | A | 50.4 | Low | 53.1 | Low | 92 Ų | 92 | 166.4 Ų | 166.4 | 76% | 0.76 | 85% | 0.854 | S | S | * | * | | | trans | 89.5 | 118.1 | 137.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 499 | K | 58.5 | Low | 53 | Low | 202 Ų | 202 | 163.8 Ų | 163.8 | 88% | 0.878 | 85% | 0.851 | S | S | * | * | | | | 163.2 | 112.6 | 116.8 | -89.9 | 172.8 | 175.4 | -178.7 | 0 | 107.2 | | |
| 500 | K | 51.8 | Low | 53.3 | Low | 201 Ų | 201 | 166.4 Ų | 166.4 | 87% | 0.874 | 86% | 0.858 | S | S | * | * | | | | 65.6 | 101.3 | 56.5 | -154.2 | -179.5 | -168.1 | 179.1 | 0 | 113.8 | | |
| 501 | S | 61.6 | Low | 53.3 | Low | 110 Ų | 110 | 166.5 Ų | 166.5 | 77% | 0.769 | 86% | 0.856 | S | S | * | * | | | trans | 154.2 | 106.1 | 143.4 | 56.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 502 | F | 53.4 | Low | 54 | Low | 206 Ų | 206 | 169.4 Ų | 169.4 | 90% | 0.904 | 87% | 0.869 | S | S | * | * | | | | 49.9 | 103 | 72.3 | -130.7 | -79.8 | 0 | 0 | 0 | 113.3 | | |
| 503 | K | 56.5 | Low | 53.9 | Low | 188 Ų | 188 | 173.7 Ų | 173.7 | 82% | 0.817 | 87% | 0.872 | S | S | * | * | | | | -176.5 | 133.5 | 124.5 | -133.3 | 161.8 | 175.5 | 174.5 | 0 | 112.9 | | |
| 504 | T | 58 | Low | 54.9 | Low | 208 Ų | 208 | 173.5 Ų | 173.5 | 100% | 1.276 | 88% | 0.877 | S | S | * | * | | | trans | 65.2 | 0 | 162 | 42.2 | 0 | 0 | 0 | 0 | 119 | | |