| 1 | M | 37.5 | Very low | 54.6 | Low | 212 Ų | 212 | 121.2 Ų | 121.2 | 100% | 1.044 | 58% | 0.583 | S | S | * | * | | | | 0 | 99.2 | 0 | -94.9 | -175.4 | 162 | 0 | 0 | 105.6 | L208 | M1-L208 HydrophobicContact CE-CD2 3.95Å; M1-L208 HydrophobicContact SD-CD2 4.19Å |
| 2 | D | 40 | Very low | 55.2 | Low | 159 Ų | 159 | 116 Ų | 116 | 85% | 0.85 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 130.4 | -169.8 | -49.8 | -55.3 | 0 | 0 | 0 | 109.5 | S4 | D2-S4 PolarHBondContact O-N 2.77Š|
| 3 | R | 42.3 | Very low | 55.8 | Low | 221 Ų | 221 | 121.1 Ų | 121.1 | 83% | 0.834 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 124.4 | 171.9 | -98.6 | 179.5 | 166.7 | 167.8 | -4 | 107.8 | S5 | R3-S5 PolarHBondContact O-N 2.59Å; R3-S5 VanDerWaalsContact O-N 3.11Å |
| 4 | S | 49.4 | Very low | 56.1 | Low | 81 Ų | 81 | 117.9 Ų | 117.9 | 57% | 0.566 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -56 | 117.6 | 173.1 | -54.3 | 0 | 0 | 0 | 0 | 109.8 | D2 | D2-S4 PolarHBondContact O-N 2.77Š|
| 5 | S | 49.5 | Very low | 56.5 | Low | 81 Ų | 81 | 116.6 Ų | 116.6 | 57% | 0.566 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 148.5 | -173.5 | -45.1 | 0 | 0 | 0 | 0 | 112.4 | R3 T7 V8 R9 | R3-S5 PolarHBondContact O-N 2.59Å; R3-S5 VanDerWaalsContact O-N 3.11Å; S5-T7 PolarHBondContact O-N 2.99Å; S5-V8 WeakPolarHBondContact O-CB 3.48Å; S5-V8 PolarHBondContact O-N 3.21Å; S5-R9 PolarHBondContact O-N 3.4Å |
| 6 | S | 56.9 | Low | 56.2 | Low | 12 Ų | 12 | 113.3 Ų | 113.3 | 8% | 0.084 | 56% | 0.56 | C | S | . | * | H | α-helix | trans | -46.5 | -40.1 | -177.3 | -169.2 | 0 | 0 | 0 | 0 | 113.3 | V8 R9 R10 D151 | S6-V8 PolarHBondContact O-N 3.05Å; S6-R9 PolarHBondContact O-N 3.1Å; S6-R10 PolarHBondContact O-N 3.34Å; S6-D151 WeakPolarHBondContact CB-OD2 3.2Å |
| 7 | T | 62.3 | Low | 55.7 | Low | 69 Ų | 69 | 110.2 Ų | 110.2 | 42% | 0.423 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61 | -34.7 | 175.7 | -49.4 | 0 | 0 | 0 | 0 | 114.6 | S5 R11 | S5-T7 PolarHBondContact O-N 2.99Å; T7-R11 WeakPolarHBondContact O-CG 3.27Å; T7-R11 PolarHBondContact O-N 3.03Å; T7-R11 VanDerWaalsContact O-N 3.11Å |
| 8 | V | 66.4 | Low | 55.4 | Low | 74 Ų | 74 | 115.6 Ų | 115.6 | 45% | 0.448 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.6 | -45.4 | 176.7 | -179.2 | 0 | 0 | 0 | 0 | 110.1 | S5 S6 R10 R11 A12 | S5-V8 WeakPolarHBondContact O-CB 3.48Å; S5-V8 PolarHBondContact O-N 3.21Å; S6-V8 PolarHBondContact O-N 3.05Å; V8-R10 VanDerWaalsContact C-N 3.35Å; V8-R10 PolarHBondContact O-N 2.93Å; V8-R11 PolarHBondContact O-N 3.32Å; V8-A12 PolarHBondContact O-N 3.44Å |
| 9 | R | 69.3 | Low | 54.9 | Low | 123 Ų | 123 | 117.3 Ų | 117.3 | 46% | 0.464 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -57.3 | -47.1 | 175.1 | -60.8 | -172 | -71.5 | 175.4 | 2.3 | 110.9 | S5 S6 R11 A12 W13 E153 | S5-R9 PolarHBondContact O-N 3.4Å; S6-R9 PolarHBondContact O-N 3.1Å; R9-R11 PolarHBondContact O-N 2.92Å; R9-A12 PolarHBondContact O-N 2.83Å; R9-W13 PolarHBondContact O-N 3.47Å; R9-E153 IonicContact NH2-OE1 3.56Å; R9-E153 IonicContact NH2-OE2 3.73Å; R9-E153 PolarHBondContact NH2-OE2 2.93Å |
| 10 | R | 60 | Low | 53.9 | Low | 147 Ų | 147 | 122.3 Ų | 122.3 | 56% | 0.555 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.2 | -40.7 | 178.1 | -169.8 | 176.2 | -68.8 | 115.4 | 2.6 | 113.1 | S6 V8 I14 | S6-R10 PolarHBondContact O-N 3.34Å; V8-R10 VanDerWaalsContact C-N 3.35Å; V8-R10 PolarHBondContact O-N 2.93Å; R10-I14 HydrophobicContact CG-CD1 4.37Å; R10-I14 WeakPolarHBondContact O-CG1 3.27Å; R10-I14 PolarHBondContact O-N 2.94Å |
| 11 | R | 66.4 | Low | 53.1 | Low | 154 Ų | 154 | 121.9 Ų | 121.9 | 58% | 0.581 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.7 | -41.6 | 175.3 | -71.5 | 176.7 | -163.3 | 151.2 | 3.1 | 112.4 | T7 V8 R9 W13 I14 N15 | T7-R11 WeakPolarHBondContact O-CG 3.27Å; T7-R11 PolarHBondContact O-N 3.03Å; T7-R11 VanDerWaalsContact O-N 3.11Å; V8-R11 PolarHBondContact O-N 3.32Å; R9-R11 PolarHBondContact O-N 2.92Å; R11-W13 VanDerWaalsContact C-N 3.3Å; R11-W13 PolarHBondContact O-N 2.87Å; R11-I14 PolarHBondContact O-N 2.89Å; R11-N15 WeakPolarHBondContact O-CB 3.44Å; R11-N15 VanDerWaalsContact O-CG 3.27Å; R11-N15 PolarHBondContact O-N 3.43Å |
| 12 | A | 62.3 | Low | 52.9 | Low | 59 Ų | 59 | 117.8 Ų | 117.8 | 49% | 0.488 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.1 | -43.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V8 R9 N15 S16 | V8-A12 PolarHBondContact O-N 3.44Å; R9-A12 PolarHBondContact O-N 2.83Å; A12-N15 PolarHBondContact O-N 3.33Å; A12-S16 VanDerWaalsContact O-CB 3.3Å; A12-S16 WeakPolarHBondContact O-CB 3.1Å; A12-S16 PolarHBondContact O-N 3.44Å |
| 13 | W | 62.8 | Low | 52.6 | Low | 182 Ų | 182 | 116.4 Ų | 116.4 | 69% | 0.689 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63 | -46 | 176.5 | -171.7 | 81.2 | 0 | 0 | 0 | 113.1 | R9 R11 N15 S16 S17 | R9-W13 PolarHBondContact O-N 3.47Å; R11-W13 VanDerWaalsContact C-N 3.3Å; R11-W13 PolarHBondContact O-N 2.87Å; W13-N15 VanDerWaalsContact C-N 3.3Å; W13-N15 PolarHBondContact O-N 2.85Å; W13-S16 PolarHBondContact O-N 3.07Å; W13-S17 VanDerWaalsContact O-CB 3.31Å; W13-S17 WeakPolarHBondContact O-CB 3.49Å; W13-S17 PolarHBondContact O-N 3.47Å |
| 14 | I | 60.8 | Low | 52.3 | Low | 77 Ų | 77 | 114.5 Ų | 114.5 | 40% | 0.395 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.5 | -39.3 | 176.7 | -68.2 | 166.8 | 0 | 0 | 0 | 111.5 | R10 R11 | R10-I14 HydrophobicContact CG-CD1 4.37Å; R10-I14 WeakPolarHBondContact O-CG1 3.27Å; R10-I14 PolarHBondContact O-N 2.94Å; R11-I14 PolarHBondContact O-N 2.89Å |
| 15 | N | 61.7 | Low | 51.4 | Low | 98 Ų | 98 | 118.2 Ų | 118.2 | 52% | 0.524 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -72.9 | -38.2 | 179.1 | -69.3 | -8.8 | 0 | 0 | 0 | 111.9 | R11 A12 W13 Q19 | R11-N15 WeakPolarHBondContact O-CB 3.44Å; R11-N15 VanDerWaalsContact O-CG 3.27Å; R11-N15 PolarHBondContact O-N 3.43Å; A12-N15 PolarHBondContact O-N 3.33Å; W13-N15 VanDerWaalsContact C-N 3.3Å; W13-N15 PolarHBondContact O-N 2.85Å; N15-Q19 PolarHBondContact O-NE2 3.19Å |
| 16 | S | 52.2 | Low | 50.8 | Low | 63 Ų | 63 | 122.4 Ų | 122.4 | 44% | 0.441 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.9 | -45.4 | 176.1 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | A12 W13 R18 Q19 | A12-S16 VanDerWaalsContact O-CB 3.3Å; A12-S16 WeakPolarHBondContact O-CB 3.1Å; A12-S16 PolarHBondContact O-N 3.44Å; W13-S16 PolarHBondContact O-N 3.07Å; S16-R18 PolarHBondContact O-N 3.47Å; S16-Q19 PolarHBondContact O-N 2.83Å |
| 17 | S | 46.5 | Very low | 49.8 | Very low | 62 Ų | 62 | 131.3 Ų | 131.3 | 43% | 0.434 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.7 | -11.2 | -179.5 | -175.3 | 0 | 0 | 0 | 0 | 115.1 | W13 | W13-S17 VanDerWaalsContact O-CB 3.31Å; W13-S17 WeakPolarHBondContact O-CB 3.49Å; W13-S17 PolarHBondContact O-N 3.47Å |
| 18 | R | 50.8 | Low | 48.2 | Very low | 207 Ų | 207 | 130.8 Ų | 130.8 | 78% | 0.781 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -5.8 | 175.8 | -68 | -176.8 | 180 | -77.8 | -1.6 | 113.6 | S16 W20 | S16-R18 PolarHBondContact O-N 3.47Å; R18-W20 PolarHBondContact O-N 3.05Å |
| 19 | Q | 45.5 | Very low | 46.9 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 69% | 0.687 | 67% | 0.672 | S | S | * | * | | | trans | -102.6 | 61.9 | -178.9 | -70.8 | 171.7 | 77.9 | 0 | 0 | 110.7 | N15 S16 | N15-Q19 PolarHBondContact O-NE2 3.19Å; S16-Q19 PolarHBondContact O-N 2.83Å |
| 20 | W | 35.5 | Very low | 45 | Very low | 217 Ų | 217 | 134.5 Ų | 134.5 | 82% | 0.822 | 69% | 0.686 | S | S | * | * | | | trans | -79.5 | 128.4 | 159.2 | -67.8 | 93.3 | 0 | 0 | 0 | 107.9 | R18 T22 | R18-W20 PolarHBondContact O-N 3.05Å; W20-T22 PolarHBondContact O-N 3.02Å |
| 21 | P | 37.2 | Very low | 43.5 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 74% | 0.74 | 70% | 0.702 | S | S | * | * | | | trans | -68.2 | 107.7 | 176.9 | -18.3 | 31.6 | 0 | 0 | 0 | 110.3 | V23 | P21-V23 PolarHBondContact O-N 2.92Š|
| 22 | T | 33.2 | Very low | 41.6 | Very low | 126 Ų | 126 | 133 Ų | 133 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | | | trans | -64.3 | 117.4 | 158.4 | -51.3 | 0 | 0 | 0 | 0 | 106.8 | W20 E24 | W20-T22 PolarHBondContact O-N 3.02Å; T22-E24 PolarHBondContact O-N 3.31Å; T22-E24 VanDerWaalsContact O-N 3.13Å |
| 23 | V | 34.8 | Very low | 40 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | | | trans | -71 | 107 | 172.3 | 175.6 | 0 | 0 | 0 | 0 | 107.2 | P21 D25 | P21-V23 PolarHBondContact O-N 2.92Å; V23-D25 PolarHBondContact O-N 2.81Å |
| 24 | E | 34.3 | Very low | 38.5 | Very low | 180 Ų | 180 | 134.4 Ų | 134.4 | 84% | 0.841 | 74% | 0.735 | S | S | * | * | | | trans | -72.1 | 119 | 172.3 | -64.8 | -172.3 | 146.8 | 0 | 0 | 109 | T22 | T22-E24 PolarHBondContact O-N 3.31Å; T22-E24 VanDerWaalsContact O-N 3.13Å |
| 25 | D | 31.9 | Very low | 36.9 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | | | trans | -81.9 | 138.4 | 174.7 | -163.4 | 12.5 | 0 | 0 | 0 | 110.3 | V23 E27 | V23-D25 PolarHBondContact O-N 2.81Å; D25-E27 PolarHBondContact O-N 3.22Å |
| 26 | L | 36.9 | Very low | 35.3 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 88% | 0.88 | 77% | 0.774 | S | S | * | * | | | trans | -100 | 83.2 | -164.1 | -164.4 | 80.3 | 0 | 0 | 0 | 111.2 | | |
| 27 | E | 34.3 | Very low | 34.1 | Very low | 199 Ų | 199 | 139.8 Ų | 139.8 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | | | trans | -73.6 | 134.4 | -177.6 | -145.9 | -178.7 | -142.8 | 0 | 0 | 113 | D25 | D25-E27 PolarHBondContact O-N 3.22Š|
| 28 | G | 29.8 | Very low | 33.2 | Very low | 59 Ų | 59 | 141.8 Ų | 141.8 | 61% | 0.608 | 81% | 0.807 | S | S | * | * | | | trans | -142 | 157.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 29 | P | 38.1 | Very low | 32.2 | Very low | 127 Ų | 127 | 140 Ų | 140 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | -92.5 | 139.3 | -131.6 | -13.2 | 30.1 | 0 | 0 | 0 | 117.5 | | |
| 30 | L | 30.1 | Very low | 31.5 | Very low | 147 Ų | 147 | 137.5 Ų | 137.5 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | | | trans | 22.1 | 115.9 | 142.5 | -89.4 | 164 | 0 | 0 | 0 | 118.9 | | |
| 31 | C | 27.7 | Very low | 31.2 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 88% | 0.878 | 82% | 0.817 | S | S | * | * | | | trans | -135.7 | 112.1 | 152.4 | -78.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 32 | N | 27.2 | Very low | 31.1 | Very low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 82% | 0.818 | S | S | * | * | | | trans | -71.6 | 136 | 174.7 | -64 | -64.4 | 0 | 0 | 0 | 111.1 | | |
| 33 | L | 29 | Very low | 31.2 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | | | trans | -152.4 | 114.4 | 144.8 | -140.6 | 75.2 | 0 | 0 | 0 | 111.1 | | |
| 34 | A | 30.3 | Very low | 31.5 | Very low | 95 Ų | 95 | 139.3 Ų | 139.3 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | | | trans | -82 | 141.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 35 | S | 28 | Very low | 32 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 88% | 0.881 | 81% | 0.813 | S | S | * | * | | | trans | -156.5 | 131.1 | 151.8 | -83.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 36 | S | 27.7 | Very low | 32.2 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | | | trans | -86.7 | 142.6 | -177.3 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 37 | A | 28.3 | Very low | 32.2 | Very low | 102 Ų | 102 | 134.8 Ų | 134.8 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | | | trans | -156.7 | 132.6 | 145.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 38 | S | 26.9 | Very low | 32.4 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | trans | -87.2 | 155 | 179.7 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 39 | I | 28.8 | Very low | 32.7 | Very low | 170 Ų | 170 | 133.5 Ų | 133.5 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | | | | -162.7 | 144.4 | 124.6 | -94.9 | 145.6 | 0 | 0 | 0 | 107 | | |
| 40 | A | 31.9 | Very low | 32.9 | Very low | 94 Ų | 94 | 131.7 Ų | 131.7 | 78% | 0.777 | 80% | 0.8 | S | S | * | * | | | trans | -101.3 | 153 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 41 | D | 28.3 | Very low | 33.5 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | | | trans | -155.7 | 159.3 | 141.1 | -145.3 | 3.1 | 0 | 0 | 0 | 110 | | |
| 42 | D | 36.8 | Very low | 34.5 | Very low | 142 Ų | 142 | 132.7 Ų | 132.7 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | | | trans | -72.4 | 148.2 | -166.4 | -69.8 | -73.1 | 0 | 0 | 0 | 116.1 | | |
| 43 | D | 34.5 | Very low | 35.6 | Very low | 155 Ų | 155 | 127.3 Ų | 127.3 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | | | | -170.9 | 111.6 | 120.9 | -111.7 | -28.2 | 0 | 0 | 0 | 111.6 | | |
| 44 | D | 41.2 | Very low | 37.4 | Very low | 171 Ų | 171 | 126.1 Ų | 126.1 | 91% | 0.914 | 76% | 0.755 | S | S | * | * | | | trans | -96.9 | 92.4 | -177 | -151.1 | -3.8 | 0 | 0 | 0 | 109.5 | | |
| 45 | V | 45 | Very low | 38.7 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 57% | 0.57 | 75% | 0.75 | S | S | * | * | | | trans | -130.9 | 131.1 | -178.9 | -167.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 46 | F | 34.6 | Very low | 40.3 | Very low | 195 Ų | 195 | 127.8 Ų | 127.8 | 86% | 0.855 | 74% | 0.736 | S | S | * | * | | | trans | 90.6 | 81 | 177.6 | -54.8 | -64.3 | 0 | 0 | 0 | 117.5 | D48 | F46-D48 PolarHBondContact O-N 3.49Š|
| 47 | S | 37.9 | Very low | 41.9 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 87% | 0.867 | 73% | 0.727 | S | S | * | * | | | trans | -62.8 | 107.8 | 152 | -48.5 | 0 | 0 | 0 | 0 | 111.3 | A49 | S47-A49 PolarHBondContact O-N 3.28Š|
| 48 | D | 38 | Very low | 43.6 | Very low | 146 Ų | 146 | 131.4 Ų | 131.4 | 78% | 0.781 | 72% | 0.719 | S | S | * | * | | | trans | 35.8 | 77.1 | 138.9 | -155.9 | 2.6 | 0 | 0 | 0 | 117.8 | F46 S50 | F46-D48 PolarHBondContact O-N 3.49Å; D48-S50 PolarHBondContact O-N 2.91Å |
| 49 | A | 37.1 | Very low | 45.1 | Very low | 85 Ų | 85 | 131.6 Ų | 131.6 | 70% | 0.702 | 71% | 0.711 | S | S | * | * | | | trans | -90.1 | 71.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | S47 F51 | S47-A49 PolarHBondContact O-N 3.28Å; A49-F51 PolarHBondContact O-N 3.44Å |
| 50 | S | 41.1 | Very low | 46.6 | Very low | 88 Ų | 88 | 129.5 Ų | 129.5 | 62% | 0.615 | 70% | 0.7 | S | S | * | * | | | trans | -52.4 | 121.6 | 178.4 | -175.6 | 0 | 0 | 0 | 0 | 112.5 | D48 N52 | D48-S50 PolarHBondContact O-N 2.91Å; S50-N52 PolarHBondContact O-N 2.75Å; S50-N52 VanDerWaalsContact O-N 3.08Å |
| 51 | F | 44.3 | Very low | 47.5 | Very low | 161 Ų | 161 | 128.3 Ų | 128.3 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | | | trans | -71.8 | 2.5 | -179.6 | -75.1 | -91.7 | 0 | 0 | 0 | 114.1 | A49 G53 K54 | A49-F51 PolarHBondContact O-N 3.44Å; F51-G53 PolarHBondContact O-N 2.65Å; F51-K54 HydrophobicContact CD1-CD 4.3Å; F51-K54 PolarHBondContact O-N 2.93Å |
| 52 | N | 47.3 | Very low | 48.5 | Very low | 137 Ų | 137 | 125.3 Ų | 125.3 | 73% | 0.733 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | 46.6 | -174 | -161.7 | 79.8 | 0 | 0 | 0 | 114.1 | S50 | S50-N52 PolarHBondContact O-N 2.75Å; S50-N52 VanDerWaalsContact O-N 3.08Å |
| 53 | G | 51.7 | Low | 48.9 | Very low | 28 Ų | 28 | 120.9 Ų | 120.9 | 29% | 0.289 | 68% | 0.676 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -156.3 | -14.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | F51 I55 E56 N57 | F51-G53 PolarHBondContact O-N 2.65Å; G53-I55 PolarHBondContact O-N 3.07Å; G53-E56 PolarHBondContact O-N 3.21Å; G53-N57 WeakPolarHBondContact O-CB 3.42Å; G53-N57 PolarHBondContact O-N 3.2Å |
| 54 | K | 66.7 | Low | 49.2 | Very low | 149 Ų | 149 | 119 Ų | 119 | 65% | 0.648 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -62.6 | -40.5 | -176.4 | -82.5 | -174.4 | 177.2 | 177.8 | 0 | 113.6 | F51 W58 | F51-K54 HydrophobicContact CD1-CD 4.3Å; F51-K54 PolarHBondContact O-N 2.93Å; K54-W58 VanDerWaalsContact O-CB 3.31Å; K54-W58 WeakPolarHBondContact O-CB 3.32Å; K54-W58 PolarHBondContact O-N 3.44Å; K54-W58 VanDerWaalsContact O-N 3.12Å |
| 55 | I | 56.4 | Low | 49.2 | Very low | 130 Ų | 130 | 118.5 Ų | 118.5 | 67% | 0.667 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -74 | -40.1 | 179 | -63.8 | 171.4 | 0 | 0 | 0 | 110.5 | G53 W58 L59 | G53-I55 PolarHBondContact O-N 3.07Å; I55-W58 PolarHBondContact O-N 3.4Å; I55-L59 HydrophobicContact CG2-CD1 4Å; I55-L59 HydrophobicContact CG2-CG 4.44Å; I55-L59 WeakPolarHBondContact O-CB 3.39Å; I55-L59 VanDerWaalsContact O-CG 3.3Å; I55-L59 WeakPolarHBondContact O-CG 3.43Å; I55-L59 PolarHBondContact O-N 3.1Å |
| 56 | E | 61.5 | Low | 48.8 | Very low | 127 Ų | 127 | 120.4 Ų | 120.4 | 59% | 0.593 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -66.1 | -44.1 | 176.7 | -65.1 | -168.9 | 153.1 | 0 | 0 | 112 | G53 W58 L59 L60 | G53-E56 PolarHBondContact O-N 3.21Å; E56-W58 VanDerWaalsContact C-N 3.28Å; E56-W58 PolarHBondContact O-N 3.37Å; E56-L59 PolarHBondContact O-N 2.89Å; E56-L60 WeakPolarHBondContact O-CB 3.43Å; E56-L60 VanDerWaalsContact O-CG 3.27Å; E56-L60 WeakPolarHBondContact O-CG 3.38Å; E56-L60 PolarHBondContact O-N 3.23Å |
| 57 | N | 62.7 | Low | 48.6 | Very low | 124 Ų | 124 | 121.8 Ų | 121.8 | 66% | 0.663 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -62.3 | -34.2 | 173.4 | -105.4 | 40.1 | 0 | 0 | 0 | 112.6 | G53 G61 | G53-N57 WeakPolarHBondContact O-CB 3.42Å; G53-N57 PolarHBondContact O-N 3.2Å; N57-G61 PolarHBondContact O-N 3.11Å |
| 58 | W | 63.6 | Low | 48.4 | Very low | 177 Ų | 177 | 122.7 Ų | 122.7 | 67% | 0.67 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -71.8 | -40.3 | 177 | -175.5 | 77.2 | 0 | 0 | 0 | 111.9 | K54 I55 E56 G61 C62 | K54-W58 VanDerWaalsContact O-CB 3.31Å; K54-W58 WeakPolarHBondContact O-CB 3.32Å; K54-W58 PolarHBondContact O-N 3.44Å; K54-W58 VanDerWaalsContact O-N 3.12Å; I55-W58 PolarHBondContact O-N 3.4Å; E56-W58 VanDerWaalsContact C-N 3.28Å; E56-W58 PolarHBondContact O-N 3.37Å; W58-G61 PolarHBondContact O-N 3.22Å; W58-C62 PolarHBondContact O-N 3.11Å; W58-C62 PolarHBondContact O-SG 2.87Å |
| 59 | L | 58.4 | Low | 48.2 | Very low | 107 Ų | 107 | 122.9 Ų | 122.9 | 56% | 0.56 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -65.1 | -39.2 | 172.8 | -70.7 | 169.8 | 0 | 0 | 0 | 112 | I55 E56 C62 | I55-L59 HydrophobicContact CG2-CD1 4Å; I55-L59 HydrophobicContact CG2-CG 4.44Å; I55-L59 WeakPolarHBondContact O-CB 3.39Å; I55-L59 VanDerWaalsContact O-CG 3.3Å; I55-L59 WeakPolarHBondContact O-CG 3.43Å; I55-L59 PolarHBondContact O-N 3.1Å; E56-L59 PolarHBondContact O-N 2.89Å; L59-C62 PolarHBondContact O-N 3.4Å |
| 60 | L | 59.5 | Low | 47.9 | Very low | 126 Ų | 126 | 126.2 Ų | 126.2 | 66% | 0.66 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -66.9 | -38.8 | 173.1 | -72.4 | 166.4 | 0 | 0 | 0 | 112 | E56 C62 G63 | E56-L60 WeakPolarHBondContact O-CB 3.43Å; E56-L60 VanDerWaalsContact O-CG 3.27Å; E56-L60 WeakPolarHBondContact O-CG 3.38Å; E56-L60 PolarHBondContact O-N 3.23Å; L60-C62 VanDerWaalsContact C-N 3.26Å; L60-C62 PolarHBondContact O-N 2.67Å; L60-G63 PolarHBondContact O-N 2.87Å |
| 61 | G | 51.5 | Low | 47.6 | Very low | 70 Ų | 70 | 127.2 Ų | 127.2 | 72% | 0.722 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -67.3 | -21.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N57 W58 G63 | N57-G61 PolarHBondContact O-N 3.11Å; W58-G61 PolarHBondContact O-N 3.22Å; G61-G63 VanDerWaalsContact C-N 3.31Å |
| 62 | C | 48.4 | Very low | 46.9 | Very low | 96 Ų | 96 | 130.9 Ų | 130.9 | 65% | 0.649 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -6.3 | 171.3 | -68.5 | 0 | 0 | 0 | 0 | 113.3 | W58 L59 L60 | W58-C62 PolarHBondContact O-N 3.11Å; W58-C62 PolarHBondContact O-SG 2.87Å; L59-C62 PolarHBondContact O-N 3.4Å; L60-C62 VanDerWaalsContact C-N 3.26Å; L60-C62 PolarHBondContact O-N 2.67Å |
| 63 | G | 46.2 | Very low | 46.1 | Very low | 49 Ų | 49 | 132.8 Ų | 132.8 | 51% | 0.505 | 70% | 0.7 | S | S | . | * | S | Bend | trans | -104.8 | 116.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L60 G61 | L60-G63 PolarHBondContact O-N 2.87Å; G61-G63 VanDerWaalsContact C-N 3.31Å |
| 64 | S | 40.9 | Very low | 45 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 80% | 0.797 | 73% | 0.727 | S | S | * | * | | | trans | 71.8 | 95.1 | 164.8 | 179.4 | 0 | 0 | 0 | 0 | 118 | | |
| 65 | D | 40.7 | Very low | 43.1 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 86% | 0.861 | 73% | 0.731 | S | S | * | * | | | trans | -127.5 | 67.7 | 143.7 | -151.2 | -0.2 | 0 | 0 | 0 | 111 | | |
| 66 | V | 35.8 | Very low | 41.9 | Very low | 135 Ų | 135 | 141.3 Ų | 141.3 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | | | trans | -131.5 | 91.7 | 163.5 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 67 | R | 30 | Very low | 40.4 | Very low | 223 Ų | 223 | 138.5 Ų | 138.5 | 84% | 0.842 | 75% | 0.75 | S | S | * | * | | | trans | -92.3 | 111.3 | 175.1 | -178.2 | -165.5 | -178.5 | 170.3 | 2.1 | 110.2 | | |
| 68 | L | 35.1 | Very low | 38.9 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | | | | -171.8 | 130.2 | 126.5 | -125.3 | 84.2 | 0 | 0 | 0 | 113 | | |
| 69 | E | 33.8 | Very low | 37.2 | Very low | 149 Ų | 149 | 134.8 Ų | 134.8 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | | | trans | 32.7 | 107.3 | 134.2 | -62.7 | -67.3 | 156.6 | 0 | 0 | 119 | | |
| 70 | N | 30.7 | Very low | 36.5 | Very low | 156 Ų | 156 | 138 Ų | 138 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | | | | -170.6 | 133.8 | 100.6 | -98.6 | -64.7 | 0 | 0 | 0 | 112.3 | | |
| 71 | S | 33.8 | Very low | 35.1 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | -72.4 | 132.1 | 173.3 | -75.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 72 | R | 29.6 | Very low | 34.1 | Very low | 239 Ų | 239 | 142.1 Ų | 142.1 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | | | trans | -169.6 | 98.9 | 140.7 | -102.5 | 160.7 | -133.9 | -146.7 | 4.3 | 111.4 | | |
| 73 | Q | 32.1 | Very low | 33.5 | Very low | 176 Ų | 176 | 144.7 Ų | 144.7 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | | | | 32.9 | 143.7 | 127.4 | -163.2 | 170.2 | 1.8 | 0 | 0 | 120.4 | | |
| 74 | L | 28.4 | Very low | 33.1 | Very low | 162 Ų | 162 | 148.1 Ų | 148.1 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | | | trans | 95 | 132.4 | 175 | -53.6 | 172.2 | 0 | 0 | 0 | 113.1 | | |
| 75 | S | 26.2 | Very low | 33 | Very low | 106 Ų | 106 | 151.7 Ų | 151.7 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | | | cis | 176.8 | 137.6 | -13.2 | 177.5 | 0 | 0 | 0 | 0 | 103.7 | | |
| 76 | F | 31.2 | Very low | 33 | Very low | 219 Ų | 219 | 150.4 Ų | 150.4 | 96% | 0.961 | 82% | 0.819 | S | S | * | * | | | trans | -64.2 | 148 | 170.1 | -89.3 | -105.5 | 0 | 0 | 0 | 110.9 | | |
| 77 | G | 30.1 | Very low | 33.7 | Very low | 67 Ų | 67 | 150.6 Ų | 150.6 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | | | trans | 158 | 104.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 78 | S | 30.1 | Very low | 34.3 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | | | trans | 43.9 | 123.3 | 149.5 | -58.3 | 0 | 0 | 0 | 0 | 121.1 | | |
| 79 | A | 29.9 | Very low | 34.7 | Very low | 98 Ų | 98 | 146.3 Ų | 146.3 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | | | | 165.5 | 128 | 91.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 80 | L | 42.2 | Very low | 35.2 | Very low | 174 Ų | 174 | 144 Ų | 144 | 91% | 0.911 | 81% | 0.809 | S | S | * | * | | | trans | -70.8 | 144.6 | 152.4 | -71.5 | 159 | 0 | 0 | 0 | 108.4 | | |
| 81 | Q | 31.6 | Very low | 35.9 | Very low | 192 Ų | 192 | 144.7 Ų | 144.7 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | | | trans | 143.1 | 144.1 | 134.9 | -169.5 | 170.7 | 42.7 | 0 | 0 | 114.9 | | |
| 82 | A | 29.4 | Very low | 35.9 | Very low | 90 Ų | 90 | 143.4 Ų | 143.4 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | | | trans | 76.4 | 124.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 83 | N | 35.2 | Very low | 36.8 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | | | trans | -40.6 | 154.8 | 146.6 | -65.1 | -15.6 | 0 | 0 | 0 | 112.6 | | |
| 84 | T | 37.8 | Very low | 37.2 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | | | | 161.3 | 126.5 | 112.7 | -65 | 0 | 0 | 0 | 0 | 109.8 | | |
| 85 | F | 39.4 | Very low | 37.8 | Very low | 189 Ų | 189 | 132.1 Ų | 132.1 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | | | trans | 22.7 | 121.8 | 161 | -73.7 | -110.2 | 0 | 0 | 0 | 119.8 | | |
| 86 | C | 40.1 | Very low | 38.3 | Very low | 135 Ų | 135 | 132 Ų | 132 | 91% | 0.912 | 81% | 0.81 | S | S | * | * | | | | -145 | 124.1 | 117.1 | -93.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 87 | D | 50.3 | Low | 38.4 | Very low | 138 Ų | 138 | 127.7 Ų | 127.7 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | | | trans | -92 | 116.4 | 171.3 | -177.4 | 23.6 | 0 | 0 | 0 | 106.7 | | |
| 88 | D | 42.8 | Very low | 38.6 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 69% | 0.69 | 81% | 0.808 | S | S | * | * | | | trans | -138.3 | 84.3 | 177.8 | -166.3 | -15.2 | 0 | 0 | 0 | 110.6 | S90 | D88-S90 VanDerWaalsContact C-N 3.33Å; D88-S90 PolarHBondContact O-N 3.38Å; D88-S90 PolarHBondContact OD1-OG 2.95Å |
| 89 | L | 44.4 | Very low | 38.9 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | | | trans | -81.6 | 76.3 | 170.1 | -71.6 | 172.6 | 0 | 0 | 0 | 110.7 | L91 | L89-L91 PolarHBondContact O-N 3.1Š|
| 90 | S | 45.1 | Very low | 39 | Very low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | | | trans | -80.7 | 98.8 | 168.1 | -77 | 0 | 0 | 0 | 0 | 111.1 | D88 G92 | D88-S90 VanDerWaalsContact C-N 3.33Å; D88-S90 PolarHBondContact O-N 3.38Å; D88-S90 PolarHBondContact OD1-OG 2.95Å; S90-G92 PolarHBondContact O-N 3.06Å |
| 91 | L | 44 | Very low | 38.4 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | | | trans | -66.2 | 114.4 | 178.6 | -68.6 | 162.8 | 0 | 0 | 0 | 112 | L89 | L89-L91 PolarHBondContact O-N 3.1Š|
| 92 | G | 34.4 | Very low | 38.6 | Very low | 80 Ų | 80 | 133.2 Ų | 133.2 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | -109.1 | 107.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | S90 | S90-G92 PolarHBondContact O-N 3.06Š|
| 93 | A | 47.8 | Very low | 38.7 | Very low | 97 Ų | 97 | 140 Ų | 140 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | | | trans | -125.5 | 90.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 94 | D | 40.3 | Very low | 38.9 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | | | trans | -170.2 | 174.6 | 157.1 | 55.2 | 2.7 | 0 | 0 | 0 | 110.5 | | |
| 95 | G | 41.6 | Very low | 38.7 | Very low | 75 Ų | 75 | 140.4 Ų | 140.4 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | trans | 128.9 | 34 | 178 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 96 | S | 35.9 | Very low | 38.3 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | trans | -80.5 | 154.1 | 163 | 163 | 0 | 0 | 0 | 0 | 110.9 | | |
| 97 | T | 35 | Very low | 38 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | 70 | 139.3 | -175.7 | 67 | 0 | 0 | 0 | 0 | 114.2 | | |
| 98 | V | 34.3 | Very low | 37 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | | | cis | -140.8 | 145.7 | 30.1 | 169.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 99 | F | 35.4 | Very low | 36.8 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | trans | -68.2 | 149.4 | 168.3 | -85.9 | -113.3 | 0 | 0 | 0 | 112.2 | | |
| 100 | Y | 31.3 | Very low | 36.4 | Very low | 208 Ų | 208 | 136.9 Ų | 136.9 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | | | | 175.3 | 129.2 | 116.4 | -105.5 | -74 | 0 | 0 | 0 | 114.3 | | |
| 101 | T | 31.5 | Very low | 36 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | | | trans | 65.5 | 142.8 | 167.2 | 76.2 | 0 | 0 | 0 | 0 | 116.3 | | |
| 102 | S | 34.3 | Very low | 35.5 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | cis | -139.3 | 164 | 7.4 | -101.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 103 | R | 32.5 | Very low | 35.3 | Very low | 234 Ų | 234 | 145 Ų | 145 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | trans | -77.8 | 127.3 | -173 | -66.8 | 170.1 | -84.7 | -147.4 | -5.9 | 113.1 | | |
| 104 | I | 39.4 | Very low | 34.6 | Very low | 172 Ų | 172 | 147.5 Ų | 147.5 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | | | trans | -131.7 | 139.4 | 139.7 | -63.9 | -174.4 | 0 | 0 | 0 | 107.5 | | |
| 105 | T | 34 | Very low | 34.3 | Very low | 106 Ų | 106 | 144.5 Ų | 144.5 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | | | trans | -101.4 | 129.4 | -166.3 | 45.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 106 | N | 30.1 | Very low | 34.1 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | | | trans | 81.8 | 143.5 | 139.7 | -57.9 | -15.4 | 0 | 0 | 0 | 121 | | |
| 107 | I | 33.8 | Very low | 34.2 | Very low | 162 Ų | 162 | 146.7 Ų | 146.7 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | | | trans | 71.8 | 75.4 | 170 | -40.7 | 177.3 | 0 | 0 | 0 | 115 | | |
| 108 | S | 29.9 | Very low | 34.2 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | | | trans | -138.4 | 119.3 | 144.1 | -74.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 109 | T | 37.8 | Very low | 34.5 | Very low | 119 Ų | 119 | 146.6 Ų | 146.6 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | | | trans | -60.5 | 130 | 175.3 | 43.8 | 0 | 0 | 0 | 0 | 109.7 | L111 | T109-L111 PolarHBondContact O-N 2.9Š|
| 110 | P | 36.5 | Very low | 34.6 | Very low | 120 Ų | 120 | 144.2 Ų | 144.2 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | | | trans | -67.5 | 110 | 171.2 | 28 | -31.5 | 0 | 0 | 0 | 108.1 | Q112 | P110-Q112 PolarHBondContact O-N 3.11Š|
| 111 | L | 36.5 | Very low | 35.5 | Very low | 161 Ų | 161 | 142.7 Ų | 142.7 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | | | trans | -56.1 | 113.7 | 164.7 | -120 | 83.1 | 0 | 0 | 0 | 106.7 | T109 K113 | T109-L111 PolarHBondContact O-N 2.9Å; L111-K113 PolarHBondContact O-N 2.94Å; L111-K113 VanDerWaalsContact O-N 3.1Å |
| 112 | Q | 32.9 | Very low | 35.9 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | trans | -60.4 | 119 | 168.6 | -68.1 | 178.8 | 7.9 | 0 | 0 | 106.4 | P110 L114 | P110-Q112 PolarHBondContact O-N 3.11Å; Q112-L114 PolarHBondContact O-N 3.42Å |
| 113 | K | 31 | Very low | 36.5 | Very low | 201 Ų | 201 | 142.2 Ų | 142.2 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | trans | -62.2 | 92.7 | 161.4 | -80.4 | -176.6 | 175.3 | -179.9 | 0 | 106.3 | L111 C115 | L111-K113 PolarHBondContact O-N 2.94Å; L111-K113 VanDerWaalsContact O-N 3.1Å; K113-C115 PolarHBondContact O-N 3.24Å |
| 114 | L | 31.8 | Very low | 36.8 | Very low | 151 Ų | 151 | 136.6 Ų | 136.6 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | trans | -67.6 | 85.3 | 167.3 | -69.5 | 171.5 | 0 | 0 | 0 | 106.8 | Q112 | Q112-L114 PolarHBondContact O-N 3.42Š|
| 115 | C | 35.1 | Very low | 37.1 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 70% | 0.703 | 78% | 0.778 | S | S | * | * | | | trans | -52.4 | 131.2 | 155.4 | -69.7 | 0 | 0 | 0 | 0 | 106.7 | K113 | K113-C115 PolarHBondContact O-N 3.24Š|
| 116 | P | 37.1 | Very low | 37.7 | Very low | 111 Ų | 111 | 137 Ų | 137 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | | | trans | -55.6 | 144 | 170.2 | 26 | -33.8 | 0 | 0 | 0 | 108.2 | S118 | P116-S118 PolarHBondContact O-N 2.65Š|
| 117 | P | 38.1 | Very low | 37.8 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | | | trans | -61.4 | 106.6 | -177.4 | 24.9 | -33 | 0 | 0 | 0 | 108.8 | L119 | P117-L119 PolarHBondContact O-N 2.87Š|
| 118 | S | 35.5 | Very low | 38 | Very low | 96 Ų | 96 | 133.8 Ų | 133.8 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | | | trans | -61.4 | 110.2 | 171.9 | 51.3 | 0 | 0 | 0 | 0 | 107.4 | P116 N120 | P116-S118 PolarHBondContact O-N 2.65Å; S118-N120 PolarHBondContact O-N 3.1Å; S118-N120 PolarHBondContact O-ND2 3.02Å; S118-N120 PolarHBondContact OG-ND2 3.31Å |
| 119 | L | 40.7 | Very low | 38.1 | Very low | 165 Ų | 165 | 133.9 Ų | 133.9 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | -68.7 | 79.2 | 179.8 | -64.5 | 177.9 | 0 | 0 | 0 | 109.1 | P117 L121 | P117-L119 PolarHBondContact O-N 2.87Å; L119-L121 VanDerWaalsContact C-N 3.29Å; L119-L121 PolarHBondContact O-N 3.49Å |
| 120 | N | 36.4 | Very low | 38.3 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | | | trans | -65.8 | 95.9 | 166.7 | -80.8 | -82.7 | 0 | 0 | 0 | 107.1 | S118 G122 | S118-N120 PolarHBondContact O-N 3.1Å; S118-N120 PolarHBondContact O-ND2 3.02Å; S118-N120 PolarHBondContact OG-ND2 3.31Å; N120-G122 PolarHBondContact O-N 3.01Å |
| 121 | L | 50.3 | Low | 38.2 | Very low | 176 Ų | 176 | 135.8 Ų | 135.8 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | | | trans | -71.4 | 60.4 | 168.8 | -167.7 | 67.1 | 0 | 0 | 0 | 109 | L119 | L119-L121 VanDerWaalsContact C-N 3.29Å; L119-L121 PolarHBondContact O-N 3.49Å |
| 122 | G | 39.3 | Very low | 38.4 | Very low | 52 Ų | 52 | 134.3 Ų | 134.3 | 54% | 0.536 | 80% | 0.797 | S | S | . | * | | | trans | -115 | 110.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | N120 S124 | N120-G122 PolarHBondContact O-N 3.01Å; G122-S124 PolarHBondContact O-N 2.83Å |
| 123 | H | 47.1 | Very low | 38.6 | Very low | 182 Ų | 182 | 130.7 Ų | 130.7 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | | | trans | -49.4 | 128.1 | -175.9 | -52.5 | -83.4 | 0 | 0 | 0 | 113.2 | | |
| 124 | S | 40.3 | Very low | 39.1 | Very low | 117 Ų | 117 | 127 Ų | 127 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -130.7 | 93.7 | 166.7 | -75.2 | 0 | 0 | 0 | 0 | 110.1 | G122 A126 | G122-S124 PolarHBondContact O-N 2.83Å; S124-A126 PolarHBondContact O-N 2.98Å |
| 125 | M | 44.1 | Very low | 39.8 | Very low | 193 Ų | 193 | 130.1 Ų | 130.1 | 95% | 0.951 | 79% | 0.785 | S | S | * | * | | | trans | -84.3 | 74 | 176.7 | -70 | 174 | 52.5 | 0 | 0 | 111.5 | | |
| 126 | A | 46.9 | Very low | 40.5 | Very low | 94 Ų | 94 | 132.6 Ų | 132.6 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | | | trans | -176.6 | 84.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S124 | S124-A126 PolarHBondContact O-N 2.98Š|
| 127 | S | 32.4 | Very low | 41 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | trans | -168.7 | 124.2 | 146.2 | 43.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 128 | S | 39.4 | Very low | 41.7 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | | | trans | -114.4 | 97.8 | -176.8 | 54.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 129 | C | 31 | Very low | 42.7 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -135.1 | 138.4 | 168.6 | -61.7 | 0 | 0 | 0 | 0 | 108.5 | S131 | C129-S131 PolarHBondContact O-N 2.7Š|
| 130 | L | 42.8 | Very low | 44.2 | Very low | 171 Ų | 171 | 126.3 Ų | 126.3 | 90% | 0.895 | 75% | 0.751 | S | S | * | * | | | trans | -63.2 | 114.6 | -171.8 | -88.7 | 60.7 | 0 | 0 | 0 | 112.9 | | |
| 131 | S | 33.9 | Very low | 45.9 | Very low | 108 Ų | 108 | 125 Ų | 125 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | | | trans | -113.7 | 108.9 | 152.6 | -81.7 | 0 | 0 | 0 | 0 | 109 | C129 S133 | C129-S131 PolarHBondContact O-N 2.7Å; S131-S133 PolarHBondContact O-N 3.08Å |
| 132 | S | 39.7 | Very low | 47.1 | Very low | 130 Ų | 130 | 120.6 Ų | 120.6 | 91% | 0.909 | 73% | 0.732 | S | S | * | * | | | trans | -75.7 | 53.1 | 171.6 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 133 | S | 38.7 | Very low | 48.5 | Very low | 84 Ų | 84 | 121.8 Ų | 121.8 | 59% | 0.587 | 72% | 0.724 | S | S | * | * | | | trans | -122 | 103.1 | 168.3 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | S131 W135 | S131-S133 PolarHBondContact O-N 3.08Å; S133-W135 VanDerWaalsContact C-N 3.26Å; S133-W135 PolarHBondContact O-N 2.8Å |
| 134 | T | 40.8 | Very low | 49.7 | Very low | 124 Ų | 124 | 116.1 Ų | 116.1 | 76% | 0.761 | 70% | 0.702 | S | S | * | * | | | trans | -71.3 | 88.1 | 167.1 | 54.4 | 0 | 0 | 0 | 0 | 107.9 | K136 | T134-K136 PolarHBondContact O-N 3.15Š|
| 135 | W | 46.5 | Very low | 51.3 | Low | 216 Ų | 216 | 115.7 Ų | 115.7 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | | | trans | -65.6 | 91.3 | 166.9 | 58.2 | -83.8 | 0 | 0 | 0 | 107.8 | S133 | S133-W135 VanDerWaalsContact C-N 3.26Å; S133-W135 PolarHBondContact O-N 2.8Å |
| 136 | K | 49.6 | Very low | 52.4 | Low | 155 Ų | 155 | 113.1 Ų | 113.1 | 67% | 0.674 | 68% | 0.675 | S | S | * | * | | | trans | -64.6 | 136.3 | 170.6 | -68.7 | 177.1 | -179.8 | 172.8 | 0 | 107.2 | T134 V138 | T134-K136 PolarHBondContact O-N 3.15Å; K136-V138 PolarHBondContact O-N 3.37Å |
| 137 | T | 48.5 | Very low | 53.2 | Low | 122 Ų | 122 | 113.6 Ų | 113.6 | 75% | 0.748 | 66% | 0.664 | S | S | * | * | | | trans | -61.8 | 100.8 | 171.6 | -45.9 | 0 | 0 | 0 | 0 | 108.6 | S139 | T137-S139 PolarHBondContact O-N 2.83Š|
| 138 | V | 50.9 | Low | 54.5 | Low | 60 Ų | 60 | 112.4 Ų | 112.4 | 36% | 0.364 | 65% | 0.654 | S | S | . | * | | | trans | -61.1 | 108.7 | -178.7 | -71.3 | 0 | 0 | 0 | 0 | 109.7 | K136 E143 V144 I147 | K136-V138 PolarHBondContact O-N 3.37Å; V138-E143 HydrophobicContact CB-CB 4.47Å; V138-E143 HydrophobicContact CB-CG 4.47Å; V138-E143 HydrophobicContact CG1-CB 4.34Å; V138-E143 HydrophobicContact CG1-CG 3.86Å; V138-V144 HydrophobicContact CB-CG2 4.07Å; V138-V144 HydrophobicContact CG2-CG2 3.6Å; V138-I147 HydrophobicContact CG1-CD1 3.97Å |
| 139 | S | 56.6 | Low | 55.7 | Low | 121 Ų | 121 | 110.7 Ų | 110.7 | 85% | 0.846 | 64% | 0.642 | S | S | * | * | | | trans | -96.8 | 0.9 | -175 | 65.5 | 0 | 0 | 0 | 0 | 113.1 | T137 | T137-S139 PolarHBondContact O-N 2.83Š|
| 140 | S | 73.1 | Confident | 57.4 | Low | 52 Ų | 52 | 110.3 Ų | 110.3 | 36% | 0.364 | 63% | 0.629 | S | S | . | * | | | trans | -128.9 | 134.2 | -178.2 | -178.2 | 0 | 0 | 0 | 0 | 111.6 | S142 E143 V144 | S140-S142 PolarHBondContact O-N 3.39Å; S140-S142 PolarHBondContact OG-N 2.85Å; S140-E143 PolarHBondContact O-N 3.42Å; S140-V144 PolarHBondContact O-N 3.06Å |
| 141 | V | 71.4 | Confident | 59.1 | Low | 109 Ų | 109 | 105.2 Ų | 105.2 | 66% | 0.661 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -57.1 | -30.8 | 170.8 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | E143 V144 L145 | V141-E143 PolarHBondContact O-N 3.04Å; V141-V144 PolarHBondContact O-N 3.37Å; V141-L145 HydrophobicContact CG1-CD1 3.86Å; V141-L145 HydrophobicContact CG1-CG 4.14Å; V141-L145 VanDerWaalsContact O-CB 3.3Å; V141-L145 WeakPolarHBondContact O-CB 3.49Å; V141-L145 VanDerWaalsContact O-CG 3.25Å; V141-L145 WeakPolarHBondContact O-CG 3.45Å; V141-L145 PolarHBondContact O-N 2.73Å |
| 142 | S | 75.1 | Confident | 61 | Low | 83 Ų | 83 | 103.2 Ų | 103.2 | 58% | 0.58 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.2 | -31.7 | 176.2 | -53 | 0 | 0 | 0 | 0 | 113.3 | S140 Q146 | S140-S142 PolarHBondContact O-N 3.39Å; S140-S142 PolarHBondContact OG-N 2.85Å; S142-Q146 VanDerWaalsContact O-CB 3.22Å; S142-Q146 WeakPolarHBondContact O-CB 3.28Å; S142-Q146 PolarHBondContact O-N 2.78Å |
| 143 | E | 70.6 | Confident | 62.7 | Low | 76 Ų | 76 | 102.3 Ų | 102.3 | 36% | 0.355 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -76.2 | -37.2 | 178.5 | -162.4 | 172.2 | -157 | 0 | 0 | 110.2 | V138 S140 V141 Q146 I147 | V138-E143 HydrophobicContact CB-CB 4.47Å; V138-E143 HydrophobicContact CB-CG 4.47Å; V138-E143 HydrophobicContact CG1-CB 4.34Å; V138-E143 HydrophobicContact CG1-CG 3.86Å; S140-E143 PolarHBondContact O-N 3.42Å; V141-E143 PolarHBondContact O-N 3.04Å; E143-Q146 PolarHBondContact O-N 2.91Å; E143-I147 WeakPolarHBondContact O-CG1 3.44Å; E143-I147 PolarHBondContact O-N 3.47Å |
| 144 | V | 71.5 | Confident | 64.5 | Low | 63 Ų | 63 | 102.9 Ų | 102.9 | 38% | 0.382 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.7 | -46.3 | 168.9 | 179.1 | 0 | 0 | 0 | 0 | 111.3 | V138 S140 V141 Q146 I147 C148 | V138-V144 HydrophobicContact CB-CG2 4.07Å; V138-V144 HydrophobicContact CG2-CG2 3.6Å; S140-V144 PolarHBondContact O-N 3.06Å; V141-V144 PolarHBondContact O-N 3.37Å; V144-Q146 PolarHBondContact O-N 3.29Å; V144-I147 PolarHBondContact O-N 3.31Å; V144-C148 WeakPolarHBondContact O-CB 3.44Å; V144-C148 PolarHBondContact O-N 3.2Å; V144-C148 PolarHBondContact O-SG 2.94Å; V144-C148 VanDerWaalsContact O-SG 3.32Å |
| 145 | L | 73.1 | Confident | 66.3 | Low | 109 Ų | 109 | 99.3 Ų | 99.3 | 57% | 0.571 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.8 | -24.6 | 176 | -74.3 | 174.8 | 0 | 0 | 0 | 112.5 | V141 C148 S149 | V141-L145 HydrophobicContact CG1-CD1 3.86Å; V141-L145 HydrophobicContact CG1-CG 4.14Å; V141-L145 VanDerWaalsContact O-CB 3.3Å; V141-L145 WeakPolarHBondContact O-CB 3.49Å; V141-L145 VanDerWaalsContact O-CG 3.25Å; V141-L145 WeakPolarHBondContact O-CG 3.45Å; V141-L145 PolarHBondContact O-N 2.73Å; L145-C148 CarbonylContact O-C 3.36Å; L145-S149 WeakPolarHBondContact O-CB 3.49Å; L145-S149 PolarHBondContact O-N 3.2Å |
| 146 | Q | 68.8 | Low | 68 | Low | 138 Ų | 138 | 93.1 Ų | 93.1 | 65% | 0.645 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -74.2 | -43.2 | 172.9 | -175.6 | 172 | -5.3 | 0 | 0 | 111.3 | S142 E143 V144 C148 S149 | S142-Q146 VanDerWaalsContact O-CB 3.22Å; S142-Q146 WeakPolarHBondContact O-CB 3.28Å; S142-Q146 PolarHBondContact O-N 2.78Å; E143-Q146 PolarHBondContact O-N 2.91Å; V144-Q146 PolarHBondContact O-N 3.29Å; Q146-C148 VanDerWaalsContact C-N 3.27Å; Q146-C148 PolarHBondContact O-N 3.31Å; Q146-S149 WeakPolarHBondContact CA-OG 3.34Å; Q146-S149 WeakPolarHBondContact O-CB 3.46Å; Q146-S149 PolarHBondContact O-N 3.1Å; Q146-S149 PolarHBondContact O-OG 2.83Å |
| 147 | I | 62.7 | Low | 69.4 | Low | 105 Ų | 105 | 91.3 Ų | 91.3 | 54% | 0.538 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.4 | -34.9 | 170.9 | -65.3 | 161.6 | 0 | 0 | 0 | 111 | V138 E143 V144 S149 | V138-I147 HydrophobicContact CG1-CD1 3.97Å; E143-I147 WeakPolarHBondContact O-CG1 3.44Å; E143-I147 PolarHBondContact O-N 3.47Å; V144-I147 PolarHBondContact O-N 3.31Å; I147-S149 VanDerWaalsContact C-N 3.29Å |
| 148 | C | 59.5 | Low | 70.9 | Confident | 95 Ų | 95 | 92.8 Ų | 92.8 | 64% | 0.642 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 6.4 | 172.2 | -61.2 | 0 | 0 | 0 | 0 | 113.7 | V144 L145 Q146 | V144-C148 WeakPolarHBondContact O-CB 3.44Å; V144-C148 PolarHBondContact O-N 3.2Å; V144-C148 PolarHBondContact O-SG 2.94Å; V144-C148 VanDerWaalsContact O-SG 3.32Å; L145-C148 CarbonylContact O-C 3.36Å; Q146-C148 VanDerWaalsContact C-N 3.27Å; Q146-C148 PolarHBondContact O-N 3.31Å |
| 149 | S | 64.5 | Low | 72.5 | Confident | 82 Ų | 82 | 95.4 Ų | 95.4 | 57% | 0.573 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 2.3 | 173.5 | 73.2 | 0 | 0 | 0 | 0 | 113.2 | L145 Q146 I147 D151 | L145-S149 WeakPolarHBondContact O-CB 3.49Å; L145-S149 PolarHBondContact O-N 3.2Å; Q146-S149 WeakPolarHBondContact CA-OG 3.34Å; Q146-S149 WeakPolarHBondContact O-CB 3.46Å; Q146-S149 PolarHBondContact O-N 3.1Å; Q146-S149 PolarHBondContact O-OG 2.83Å; I147-S149 VanDerWaalsContact C-N 3.29Å; S149-D151 PolarHBondContact O-N 3.49Å |
| 150 | E | 67.4 | Low | 73.2 | Confident | 114 Ų | 114 | 92.6 Ų | 92.6 | 53% | 0.533 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -45.4 | 132 | 166.1 | -136.9 | 63.2 | -104 | 0 | 0 | 109.4 | A152 | E150-A152 PolarHBondContact O-N 3.5Š|
| 151 | D | 77.2 | Confident | 73.1 | Confident | 63 Ų | 63 | 97.8 Ų | 97.8 | 34% | 0.337 | 53% | 0.533 | S | S | . | . | | | trans | -60 | 134.2 | -176 | -158.9 | -34.6 | 0 | 0 | 0 | 108.2 | S6 S149 E153 E154 T155 | S6-D151 WeakPolarHBondContact CB-OD2 3.2Å; S149-D151 PolarHBondContact O-N 3.49Å; D151-E153 HydrophobicContact CB-CB 4.49Å; D151-E153 PolarHBondContact O-N 2.85Å; D151-E153 VanDerWaalsContact O-N 3.16Å; D151-E153 PolarHBondContact OD1-N 3.31Å; D151-E153 VanDerWaalsContact OD1-N 3.11Å; D151-E154 HydrophobicContact CB-CB 4.3Å; D151-E154 PolarHBondContact O-N 2.95Å; D151-T155 WeakPolarHBondContact O-CB 3.47Å; D151-T155 PolarHBondContact O-N 3.38Å; D151-T155 PolarHBondContact O-OG1 3.45Å |
| 152 | A | 75.1 | Confident | 72.8 | Confident | 66 Ų | 66 | 94.2 Ų | 94.2 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.9 | -27.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | E150 L156 | E150-A152 PolarHBondContact O-N 3.5Å; A152-L156 WeakPolarHBondContact O-CB 3.43Å; A152-L156 WeakPolarHBondContact O-CD1 3.47Å; A152-L156 WeakPolarHBondContact O-CG 3.47Å; A152-L156 PolarHBondContact O-N 3.35Å |
| 153 | E | 74.7 | Confident | 72 | Confident | 111 Ų | 111 | 95.6 Ų | 95.6 | 52% | 0.519 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62 | -51.6 | 171 | -165.5 | 173.6 | 157.7 | 0 | 0 | 111.7 | R9 D151 L156 Y157 | R9-E153 IonicContact NH2-OE1 3.56Å; R9-E153 IonicContact NH2-OE2 3.73Å; R9-E153 PolarHBondContact NH2-OE2 2.93Å; D151-E153 HydrophobicContact CB-CB 4.49Å; D151-E153 PolarHBondContact O-N 2.85Å; D151-E153 VanDerWaalsContact O-N 3.16Å; D151-E153 PolarHBondContact OD1-N 3.31Å; D151-E153 VanDerWaalsContact OD1-N 3.11Å; E153-L156 PolarHBondContact O-N 2.89Å; E153-Y157 WeakPolarHBondContact O-CB 3.45Å; E153-Y157 PolarHBondContact O-N 2.89Å |
| 154 | E | 76.4 | Confident | 71.7 | Confident | 96 Ų | 96 | 99.6 Ų | 99.6 | 45% | 0.449 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.8 | -43.5 | -179.8 | -163.4 | 68 | -162 | 0 | 0 | 111.4 | D151 L156 Y157 E158 | D151-E154 HydrophobicContact CB-CB 4.3Å; D151-E154 PolarHBondContact O-N 2.95Å; E154-L156 VanDerWaalsContact C-N 3.3Å; E154-L156 PolarHBondContact O-N 3.35Å; E154-Y157 CarbonylContact O-C 3.59Å; E154-Y157 WeakPolarHBondContact O-CA 3.4Å; E154-Y157 WeakPolarHBondContact O-CB 3.49Å; E154-Y157 PolarHBondContact O-N 2.86Å; E154-E158 PolarHBondContact O-N 3.35Å |
| 155 | T | 78.5 | Confident | 71.5 | Confident | 49 Ų | 49 | 103.8 Ų | 103.8 | 30% | 0.301 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.1 | -42.1 | 177.1 | -51 | 0 | 0 | 0 | 0 | 111.3 | D151 Y157 L159 | D151-T155 WeakPolarHBondContact O-CB 3.47Å; D151-T155 PolarHBondContact O-N 3.38Å; D151-T155 PolarHBondContact O-OG1 3.45Å; T155-Y157 VanDerWaalsContact C-N 3.35Å; T155-L159 HydrophobicContact CG2-CD1 4.09Å; T155-L159 WeakPolarHBondContact O-CB 3.09Å; T155-L159 WeakPolarHBondContact O-CD1 3.38Å; T155-L159 WeakPolarHBondContact O-CG 3.04Å; T155-L159 PolarHBondContact O-N 3.03Å; T155-L159 VanDerWaalsContact O-N 3.09Å |
| 156 | L | 81.8 | Confident | 70.8 | Confident | 86 Ų | 86 | 103.4 Ų | 103.4 | 45% | 0.45 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.4 | -30.2 | 175.7 | -72.9 | 171.3 | 0 | 0 | 0 | 112.2 | A152 E153 E154 G160 F161 G162 | A152-L156 WeakPolarHBondContact O-CB 3.43Å; A152-L156 WeakPolarHBondContact O-CD1 3.47Å; A152-L156 WeakPolarHBondContact O-CG 3.47Å; A152-L156 PolarHBondContact O-N 3.35Å; E153-L156 PolarHBondContact O-N 2.89Å; E154-L156 VanDerWaalsContact C-N 3.3Å; E154-L156 PolarHBondContact O-N 3.35Å; L156-G160 PolarHBondContact O-N 2.91Å; L156-F161 HydrophobicContact CB-CB 4.23Å; L156-F161 HydrophobicContact CD2-CB 4.11Å; L156-F161 HydrophobicContact CD2-CD2 3.73Å; L156-F161 HydrophobicContact CD2-CE2 4.49Å; L156-F161 HydrophobicContact CD2-CG 4.13Å; L156-F161 WeakPolarHBondContact O-CA 3.11Å; L156-F161 WeakPolarHBondContact O-CB 3.38Å; L156-F161 PolarHBondContact O-N 3.05Å; L156-G162 PolarHBondContact O-N 3.03Å |
| 157 | Y | 80.3 | Confident | 70.2 | Confident | 118 Ų | 118 | 100.8 Ų | 100.8 | 46% | 0.463 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68 | -48.5 | 173.9 | -174.6 | -103.1 | 0 | 0 | 0 | 111.8 | E153 E154 T155 L159 G160 | E153-Y157 WeakPolarHBondContact O-CB 3.45Å; E153-Y157 PolarHBondContact O-N 2.89Å; E154-Y157 CarbonylContact O-C 3.59Å; E154-Y157 WeakPolarHBondContact O-CA 3.4Å; E154-Y157 WeakPolarHBondContact O-CB 3.49Å; E154-Y157 PolarHBondContact O-N 2.86Å; T155-Y157 VanDerWaalsContact C-N 3.35Å; Y157-L159 VanDerWaalsContact C-N 3.31Å; Y157-L159 PolarHBondContact O-N 3.39Å; Y157-G160 WeakPolarHBondContact O-CA 3.29Å; Y157-G160 PolarHBondContact O-N 2.95Å |
| 158 | E | 80.8 | Confident | 70 | Confident | 152 Ų | 152 | 99.3 Ų | 99.3 | 71% | 0.71 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.7 | -38.3 | 175.4 | -69.9 | -168.2 | 155.2 | 0 | 0 | 112.7 | E154 G160 | E154-E158 PolarHBondContact O-N 3.35Å; E158-G160 PolarHBondContact O-N 3.42Å |
| 159 | L | 82.4 | Confident | 69.8 | Low | 116 Ų | 116 | 99.1 Ų | 99.1 | 61% | 0.607 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -1.7 | 174.2 | -69.9 | 171.8 | 0 | 0 | 0 | 113.7 | T155 Y157 F161 | T155-L159 HydrophobicContact CG2-CD1 4.09Å; T155-L159 WeakPolarHBondContact O-CB 3.09Å; T155-L159 WeakPolarHBondContact O-CD1 3.38Å; T155-L159 WeakPolarHBondContact O-CG 3.04Å; T155-L159 PolarHBondContact O-N 3.03Å; T155-L159 VanDerWaalsContact O-N 3.09Å; Y157-L159 VanDerWaalsContact C-N 3.31Å; Y157-L159 PolarHBondContact O-N 3.39Å; L159-F161 HydrophobicContact CB-CD2 3.6Å; L159-F161 HydrophobicContact CB-CE2 3.75Å; L159-F161 HydrophobicContact CD1-CE2 4.29Å |
| 160 | G | 73.3 | Confident | 69.4 | Low | 61 Ų | 61 | 100.4 Ų | 100.4 | 63% | 0.629 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | 13.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L156 Y157 E158 | L156-G160 PolarHBondContact O-N 2.91Å; Y157-G160 WeakPolarHBondContact O-CA 3.29Å; Y157-G160 PolarHBondContact O-N 2.95Å; E158-G160 PolarHBondContact O-N 3.42Å |
| 161 | F | 70.5 | Confident | 69 | Low | 162 Ų | 162 | 104.5 Ų | 104.5 | 71% | 0.711 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -81.3 | -16.9 | 172.1 | -63.7 | -75.5 | 0 | 0 | 0 | 112.8 | L156 L159 | L156-F161 HydrophobicContact CB-CB 4.23Å; L156-F161 HydrophobicContact CD2-CB 4.11Å; L156-F161 HydrophobicContact CD2-CD2 3.73Å; L156-F161 HydrophobicContact CD2-CE2 4.49Å; L156-F161 HydrophobicContact CD2-CG 4.13Å; L156-F161 WeakPolarHBondContact O-CA 3.11Å; L156-F161 WeakPolarHBondContact O-CB 3.38Å; L156-F161 PolarHBondContact O-N 3.05Å; L159-F161 HydrophobicContact CB-CD2 3.6Å; L159-F161 HydrophobicContact CB-CE2 3.75Å; L159-F161 HydrophobicContact CD1-CE2 4.29Å |
| 162 | G | 63.9 | Low | 68.6 | Low | 33 Ų | 33 | 104.7 Ų | 104.7 | 34% | 0.34 | 56% | 0.559 | S | S | . | * | | | trans | -108.9 | 150.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L156 | L156-G162 PolarHBondContact O-N 3.03Š|
| 163 | C | 59.8 | Low | 68.7 | Low | 113 Ų | 113 | 104 Ų | 104 | 76% | 0.764 | 55% | 0.55 | S | S | * | . | | | trans | -133.2 | 143.9 | 161.2 | 52.4 | 0 | 0 | 0 | 0 | 107.9 | E165 | C163-E165 PolarHBondContact O-N 2.79Å; C163-E165 VanDerWaalsContact O-N 3.16Å |
| 164 | E | 63.9 | Low | 68.4 | Low | 160 Ų | 160 | 103.4 Ų | 103.4 | 75% | 0.748 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 120.9 | -176.1 | -174.7 | 178.6 | -152.6 | 0 | 0 | 110 | P166 | E164-P166 VanDerWaalsContact O-CD 3.29Å; E164-P166 WeakPolarHBondContact O-CD 3.14Å; E164-P166 VanDerWaalsContact O-N 3.14Å |
| 165 | E | 66.1 | Low | 68.3 | Low | 150 Ų | 150 | 106.5 Ų | 106.5 | 70% | 0.701 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 116.8 | -170.4 | -175.4 | 168.2 | -173.2 | 0 | 0 | 110.5 | C163 Q167 | C163-E165 PolarHBondContact O-N 2.79Å; C163-E165 VanDerWaalsContact O-N 3.16Å; E165-Q167 PolarHBondContact O-N 3.01Å |
| 166 | P | 58.8 | Low | 67.9 | Low | 102 Ų | 102 | 109 Ų | 109 | 66% | 0.662 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 123.5 | -177.1 | 26.8 | -33.2 | 0 | 0 | 0 | 109.9 | E164 V168 | E164-P166 VanDerWaalsContact O-CD 3.29Å; E164-P166 WeakPolarHBondContact O-CD 3.14Å; E164-P166 VanDerWaalsContact O-N 3.14Å; P166-V168 PolarHBondContact O-N 2.94Å |
| 167 | Q | 56.8 | Low | 67.4 | Low | 83 Ų | 83 | 111.3 Ų | 111.3 | 39% | 0.388 | 58% | 0.576 | S | S | . | * | | | trans | -36.7 | 129.4 | -172.9 | -64.7 | -178 | 4 | 0 | 0 | 114.1 | E165 T169 V170 | E165-Q167 PolarHBondContact O-N 3.01Å; Q167-T169 PolarHBondContact O-N 3.1Å; Q167-V170 WeakPolarHBondContact O-CG2 3.38Å; Q167-V170 PolarHBondContact O-N 2.81Å |
| 168 | V | 57.8 | Low | 67 | Low | 73 Ų | 73 | 110.1 Ų | 110.1 | 44% | 0.442 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -50 | -27.8 | -175.1 | -175.4 | 0 | 0 | 0 | 0 | 113.7 | P166 V170 R171 | P166-V168 PolarHBondContact O-N 2.94Å; V168-V170 PolarHBondContact O-N 3.27Å; V168-R171 WeakPolarHBondContact O-CB 3.48Å; V168-R171 PolarHBondContact O-N 3.32Å |
| 169 | T | 56.2 | Low | 66.8 | Low | 91 Ų | 91 | 109.8 Ų | 109.8 | 56% | 0.558 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -60.8 | -23.8 | 177.2 | 55.5 | 0 | 0 | 0 | 0 | 114.5 | Q167 R171 | Q167-T169 PolarHBondContact O-N 3.1Å; T169-R171 VanDerWaalsContact C-N 3.3Å |
| 170 | V | 55.4 | Low | 66.2 | Low | 109 Ų | 109 | 110.3 Ų | 110.3 | 66% | 0.661 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -81.1 | -11.8 | 177.8 | -163.2 | 0 | 0 | 0 | 0 | 111.9 | Q167 V168 | Q167-V170 WeakPolarHBondContact O-CG2 3.38Å; Q167-V170 PolarHBondContact O-N 2.81Å; V168-V170 PolarHBondContact O-N 3.27Å |
| 171 | R | 59.6 | Low | 66.1 | Low | 201 Ų | 201 | 110.5 Ų | 110.5 | 76% | 0.758 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -90.5 | -7.2 | -168.6 | -158.6 | 173.2 | 178.7 | -179.7 | 0.2 | 115.2 | V168 T169 P173 | V168-R171 WeakPolarHBondContact O-CB 3.48Å; V168-R171 PolarHBondContact O-N 3.32Å; T169-R171 VanDerWaalsContact C-N 3.3Å; R171-P173 VanDerWaalsContact O-CD 3.32Å; R171-P173 WeakPolarHBondContact O-CD 3.35Å |
| 172 | I | 69.6 | Low | 66.2 | Low | 66 Ų | 66 | 112.2 Ų | 112.2 | 34% | 0.338 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -101.9 | 109.4 | -179.6 | -53.1 | 178 | 0 | 0 | 0 | 110.3 | F176 F177 | I172-F176 HydrophobicContact CG2-CB 4.09Å; I172-F176 HydrophobicContact CG2-CD2 4.2Å; I172-F177 HydrophobicContact CB-CE2 3.97Å; I172-F177 HydrophobicContact CB-CZ 4.26Å; I172-F177 HydrophobicContact CD1-CZ 4.15Å; I172-F177 HydrophobicContact CG2-CD2 4.32Å; I172-F177 HydrophobicContact CG2-CE2 3.47Å; I172-F177 VanDerWaalsContact CG2-CE2 3.47Å; I172-F177 HydrophobicContact CG2-CZ 3.74Å |
| 173 | P | 75.9 | Confident | 66.5 | Low | 53 Ų | 53 | 113 Ų | 113 | 34% | 0.344 | 59% | 0.593 | S | S | . | * | | | trans | -55.8 | 133.9 | 175.4 | -30.1 | 37 | 0 | 0 | 0 | 113 | R171 R175 F176 | R171-P173 VanDerWaalsContact O-CD 3.32Å; R171-P173 WeakPolarHBondContact O-CD 3.35Å; P173-R175 HydrophobicContact CB-CG 3.64Å; P173-R175 PolarHBondContact O-N 3.09Å; P173-F176 HydrophobicContact CB-CD2 3.97Å; P173-F176 HydrophobicContact CB-CE2 4.14Å; P173-F176 HydrophobicContact CG-CD2 4.18Å; P173-F176 HydrophobicContact CG-CE2 3.98Å; P173-F176 WeakPolarHBondContact O-CD2 3.37Å; P173-F176 PolarHBondContact O-N 2.84Å |
| 174 | P | 69.1 | Low | 67 | Low | 97 Ų | 97 | 117 Ų | 117 | 63% | 0.63 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | -28.1 | -177.7 | -30.9 | 36.2 | 0 | 0 | 0 | 115.4 | F176 F177 T178 | P174-F176 PolarHBondContact O-N 2.84Å; P174-F176 VanDerWaalsContact O-N 3.1Å; P174-F177 PolarHBondContact O-N 2.95Å; P174-T178 PolarHBondContact O-N 2.85Å; P174-T178 VanDerWaalsContact O-N 3.07Å; P174-T178 PolarHBondContact O-OG1 3Å |
| 175 | R | 74.1 | Confident | 67.3 | Low | 161 Ų | 161 | 113.3 Ų | 113.3 | 61% | 0.608 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -52.2 | -26.1 | 173 | 55.3 | -173.3 | -89.8 | -106.4 | 6.2 | 114.9 | P173 F177 F179 | P173-R175 HydrophobicContact CB-CG 3.64Å; P173-R175 PolarHBondContact O-N 3.09Å; R175-F177 VanDerWaalsContact C-N 3.32Å; R175-F179 HydrophobicContact CB-CD2 4.35Å; R175-F179 PolarHBondContact O-N 3.39Å |
| 176 | F | 69.8 | Low | 67.9 | Low | 103 Ų | 103 | 111 Ų | 111 | 45% | 0.452 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -78.6 | -13.7 | 175.2 | -69.5 | -71.8 | 0 | 0 | 0 | 113.9 | I172 P173 P174 | I172-F176 HydrophobicContact CG2-CB 4.09Å; I172-F176 HydrophobicContact CG2-CD2 4.2Å; P173-F176 HydrophobicContact CB-CD2 3.97Å; P173-F176 HydrophobicContact CB-CE2 4.14Å; P173-F176 HydrophobicContact CG-CD2 4.18Å; P173-F176 HydrophobicContact CG-CE2 3.98Å; P173-F176 WeakPolarHBondContact O-CD2 3.37Å; P173-F176 PolarHBondContact O-N 2.84Å; P174-F176 PolarHBondContact O-N 2.84Å; P174-F176 VanDerWaalsContact O-N 3.1Å |
| 177 | F | 70.4 | Confident | 69 | Low | 134 Ų | 134 | 110.4 Ų | 110.4 | 59% | 0.588 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -104.6 | -26.3 | 175.1 | -59.8 | -69.2 | 0 | 0 | 0 | 112.7 | I172 P174 R175 | I172-F177 HydrophobicContact CB-CE2 3.97Å; I172-F177 HydrophobicContact CB-CZ 4.26Å; I172-F177 HydrophobicContact CD1-CZ 4.15Å; I172-F177 HydrophobicContact CG2-CD2 4.32Å; I172-F177 HydrophobicContact CG2-CE2 3.47Å; I172-F177 VanDerWaalsContact CG2-CE2 3.47Å; I172-F177 HydrophobicContact CG2-CZ 3.74Å; P174-F177 PolarHBondContact O-N 2.95Å; R175-F177 VanDerWaalsContact C-N 3.32Å |
| 178 | T | 73.3 | Confident | 70.2 | Confident | 93 Ų | 93 | 110.4 Ų | 110.4 | 57% | 0.571 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -90.9 | -15.5 | -176 | 59.5 | 0 | 0 | 0 | 0 | 114.7 | P174 | P174-T178 PolarHBondContact O-N 2.85Å; P174-T178 VanDerWaalsContact O-N 3.07Å; P174-T178 PolarHBondContact O-OG1 3Å |
| 179 | F | 76.6 | Confident | 71.3 | Confident | 145 Ų | 145 | 117.2 Ų | 117.2 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -129.9 | 135.8 | -178.3 | -61 | -72.8 | 0 | 0 | 0 | 111 | R175 S181 | R175-F179 HydrophobicContact CB-CD2 4.35Å; R175-F179 PolarHBondContact O-N 3.39Å; F179-S181 PolarHBondContact O-N 2.88Å |
| 180 | P | 70.4 | Confident | 72.8 | Confident | 126 Ų | 126 | 118.2 Ų | 118.2 | 82% | 0.818 | 61% | 0.607 | S | S | * | * | | | trans | -64.3 | 126 | 173.1 | 27.6 | -33.2 | 0 | 0 | 0 | 109.6 | | |
| 181 | S | 70 | Confident | 74.2 | Confident | 65 Ų | 65 | 117.6 Ų | 117.6 | 46% | 0.455 | 60% | 0.595 | S | S | . | * | | | trans | -74.2 | 138 | 174.5 | -174.4 | 0 | 0 | 0 | 0 | 110.3 | F179 A183 | F179-S181 PolarHBondContact O-N 2.88Å; S181-A183 VanDerWaalsContact OG-CB 3.26Å; S181-A183 WeakPolarHBondContact OG-CB 3.42Å; S181-A183 PolarHBondContact OG-N 3.05Å; S181-A183 VanDerWaalsContact OG-N 3.14Å |
| 182 | Q | 73.8 | Confident | 75.5 | Confident | 198 Ų | 198 | 111.2 Ų | 111.2 | 93% | 0.925 | 58% | 0.576 | S | S | * | * | | | trans | -84.4 | 6.7 | 168.6 | -64 | -175 | 0.7 | 0 | 0 | 112.7 | Q184 | Q182-Q184 PolarHBondContact O-N 3.12Š|
| 183 | A | 68.8 | Low | 76.3 | Confident | 50 Ų | 50 | 111.5 Ų | 111.5 | 41% | 0.413 | 58% | 0.578 | S | S | . | * | | | trans | -67.9 | 104.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S181 | S181-A183 VanDerWaalsContact OG-CB 3.26Å; S181-A183 WeakPolarHBondContact OG-CB 3.42Å; S181-A183 PolarHBondContact OG-N 3.05Å; S181-A183 VanDerWaalsContact OG-N 3.14Å |
| 184 | Q | 69.9 | Low | 76.7 | Confident | 196 Ų | 196 | 110.5 Ų | 110.5 | 92% | 0.916 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 145.8 | 171.3 | -164.8 | 168 | -1.3 | 0 | 0 | 110 | Q182 | Q182-Q184 PolarHBondContact O-N 3.12Š|
| 185 | G | 72 | Confident | 77.4 | Confident | 83 Ų | 83 | 107.9 Ų | 107.9 | 86% | 0.856 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.6 | -9.4 | 176 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 186 | I | 77.2 | Confident | 77.8 | Confident | 101 Ų | 101 | 104.1 Ų | 104.1 | 52% | 0.518 | 54% | 0.544 | S | S | . | . | | | trans | -113.2 | 110.7 | 174.8 | -57.4 | 179 | 0 | 0 | 0 | 110.6 | F188 | I186-F188 WeakPolarHBondContact O-CD2 3.34Å; I186-F188 PolarHBondContact O-N 3.38Å; I186-F188 VanDerWaalsContact O-N 3.09Å |
| 187 | N | 83.4 | Confident | 78.4 | Confident | 91 Ų | 91 | 105.4 Ų | 105.4 | 49% | 0.487 | 55% | 0.546 | S | S | . | . | | | trans | -76.2 | 96.7 | 170.3 | -173.6 | -39.4 | 0 | 0 | 0 | 109.9 | R189 L190 F191 | N187-R189 PolarHBondContact O-N 3.45Å; N187-R189 WeakPolarHBondContact OD1-CB 3.46Å; N187-R189 PolarHBondContact OD1-N 3.23Å; N187-R189 VanDerWaalsContact OD1-N 3.07Å; N187-L190 HydrophobicContact CB-CB 4.14Å; N187-L190 HydrophobicContact CB-CD1 3.98Å; N187-L190 HydrophobicContact CB-CG 4.15Å; N187-L190 PolarHBondContact O-N 2.95Å; N187-L190 VanDerWaalsContact O-N 3.13Å; N187-L190 PolarHBondContact OD1-N 3.41Å; N187-F191 PolarHBondContact O-N 3.18Å |
| 188 | F | 80.3 | Confident | 79 | Confident | 82 Ų | 82 | 105.3 Ų | 105.3 | 36% | 0.36 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -56.3 | -31.2 | -179.9 | -74.3 | -82.8 | 0 | 0 | 0 | 113.8 | I186 L192 | I186-F188 WeakPolarHBondContact O-CD2 3.34Å; I186-F188 PolarHBondContact O-N 3.38Å; I186-F188 VanDerWaalsContact O-N 3.09Å; F188-L192 WeakPolarHBondContact O-CB 3.48Å; F188-L192 VanDerWaalsContact O-CG 3.23Å; F188-L192 WeakPolarHBondContact O-CG 3.47Å; F188-L192 PolarHBondContact O-N 3.24Å |
| 189 | R | 82.7 | Confident | 79.4 | Confident | 217 Ų | 217 | 103.5 Ų | 103.5 | 82% | 0.819 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.3 | -45.3 | 177 | -178.2 | 177.8 | 175 | 172.9 | -2.4 | 111.3 | N187 D193 | N187-R189 PolarHBondContact O-N 3.45Å; N187-R189 WeakPolarHBondContact OD1-CB 3.46Å; N187-R189 PolarHBondContact OD1-N 3.23Å; N187-R189 VanDerWaalsContact OD1-N 3.07Å; R189-D193 WeakPolarHBondContact O-CB 3.41Å; R189-D193 PolarHBondContact O-N 2.91Å |
| 190 | L | 86.1 | Confident | 79.6 | Confident | 112 Ų | 112 | 103.8 Ų | 103.8 | 59% | 0.586 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.4 | -38.7 | 174.9 | -67.7 | 177.6 | 0 | 0 | 0 | 111.9 | N187 A194 | N187-L190 HydrophobicContact CB-CB 4.14Å; N187-L190 HydrophobicContact CB-CD1 3.98Å; N187-L190 HydrophobicContact CB-CG 4.15Å; N187-L190 PolarHBondContact O-N 2.95Å; N187-L190 VanDerWaalsContact O-N 3.13Å; N187-L190 PolarHBondContact OD1-N 3.41Å; L190-A194 WeakPolarHBondContact O-CB 3.29Å; L190-A194 PolarHBondContact O-N 3.32Å |
| 191 | F | 86.3 | Confident | 80 | Confident | 96 Ų | 96 | 104.7 Ų | 104.7 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.1 | -49.2 | 175.1 | 173.4 | -99.1 | 0 | 0 | 0 | 112.1 | N187 A194 Q195 | N187-F191 PolarHBondContact O-N 3.18Å; F191-A194 WeakPolarHBondContact O-CB 3.09Å; F191-A194 PolarHBondContact O-N 2.91Å; F191-Q195 HydrophobicContact CD1-CG 4.33Å; F191-Q195 HydrophobicContact CE1-CG 3.84Å; F191-Q195 HydrophobicContact CE2-CG 4.18Å; F191-Q195 HydrophobicContact CZ-CG 3.75Å; F191-Q195 WeakPolarHBondContact O-CG 3.46Å; F191-Q195 PolarHBondContact O-N 3.37Å |
| 192 | L | 86.9 | Confident | 80.2 | Confident | 67 Ų | 67 | 107.3 Ų | 107.3 | 35% | 0.351 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 179.1 | -72.4 | 171.5 | 0 | 0 | 0 | 111.8 | F188 A194 Q195 I196 | F188-L192 WeakPolarHBondContact O-CB 3.48Å; F188-L192 VanDerWaalsContact O-CG 3.23Å; F188-L192 WeakPolarHBondContact O-CG 3.47Å; F188-L192 PolarHBondContact O-N 3.24Å; L192-A194 VanDerWaalsContact C-N 3.35Å; L192-Q195 PolarHBondContact O-N 2.9Å; L192-I196 VanDerWaalsContact O-CG1 3.29Å; L192-I196 WeakPolarHBondContact O-CG1 3.48Å; L192-I196 PolarHBondContact O-N 3.14Å |
| 193 | D | 84.7 | Confident | 80.1 | Confident | 72 Ų | 72 | 101.2 Ų | 101.2 | 39% | 0.385 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 172.9 | -179.2 | 75.5 | 0 | 0 | 0 | 111.8 | R189 Q195 I196 R197 | R189-D193 WeakPolarHBondContact O-CB 3.41Å; R189-D193 PolarHBondContact O-N 2.91Å; D193-Q195 PolarHBondContact O-N 2.84Å; D193-I196 PolarHBondContact O-N 3.02Å; D193-R197 WeakPolarHBondContact O-CB 3.29Å; D193-R197 WeakPolarHBondContact O-CG 3.47Å; D193-R197 PolarHBondContact O-N 3.41Å; D193-R197 IonicContact OD2-CZ 3.57Å; D193-R197 IonicContact OD2-NE 2.76Å; D193-R197 PolarHBondContact OD2-NE 2.87Å; D193-R197 IonicContact OD2-NH2 2.65Å; D193-R197 PolarHBondContact OD2-NH2 3.06Å |
| 194 | A | 85.6 | Confident | 80.4 | Confident | 32 Ų | 32 | 102.9 Ų | 102.9 | 26% | 0.264 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L190 F191 L192 R197 R198 | L190-A194 WeakPolarHBondContact O-CB 3.29Å; L190-A194 PolarHBondContact O-N 3.32Å; F191-A194 WeakPolarHBondContact O-CB 3.09Å; F191-A194 PolarHBondContact O-N 2.91Å; L192-A194 VanDerWaalsContact C-N 3.35Å; A194-R197 PolarHBondContact O-N 3.41Å; A194-R198 WeakPolarHBondContact O-CB 3.38Å; A194-R198 PolarHBondContact O-N 3.32Å |
| 195 | Q | 83.9 | Confident | 80.4 | Confident | 42 Ų | 42 | 96.6 Ų | 96.6 | 20% | 0.196 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 173.4 | -62.5 | -44.5 | -64.8 | 0 | 0 | 111.7 | F191 L192 D193 R198 I199 | F191-Q195 HydrophobicContact CD1-CG 4.33Å; F191-Q195 HydrophobicContact CE1-CG 3.84Å; F191-Q195 HydrophobicContact CE2-CG 4.18Å; F191-Q195 HydrophobicContact CZ-CG 3.75Å; F191-Q195 WeakPolarHBondContact O-CG 3.46Å; F191-Q195 PolarHBondContact O-N 3.37Å; L192-Q195 PolarHBondContact O-N 2.9Å; D193-Q195 PolarHBondContact O-N 2.84Å; Q195-R198 PolarHBondContact O-N 3.23Å; Q195-I199 WeakPolarHBondContact O-CD1 3.43Å; Q195-I199 VanDerWaalsContact O-CG1 3.28Å; Q195-I199 WeakPolarHBondContact O-CG1 3.22Å; Q195-I199 PolarHBondContact O-N 3.04Å |
| 196 | I | 81.5 | Confident | 80.3 | Confident | 81 Ų | 81 | 96.3 Ų | 96.3 | 42% | 0.415 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 177.9 | -69.8 | 164.4 | 0 | 0 | 0 | 111 | L192 D193 R200 | L192-I196 VanDerWaalsContact O-CG1 3.29Å; L192-I196 WeakPolarHBondContact O-CG1 3.48Å; L192-I196 PolarHBondContact O-N 3.14Å; D193-I196 PolarHBondContact O-N 3.02Å; I196-R200 VanDerWaalsContact O-CG 3.29Å; I196-R200 WeakPolarHBondContact O-CG 3.18Å; I196-R200 PolarHBondContact O-N 3.16Å; I196-R200 VanDerWaalsContact O-N 3.11Å |
| 197 | R | 83.1 | Confident | 80 | Confident | 130 Ų | 130 | 94 Ų | 94 | 49% | 0.491 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.2 | -47.4 | 175.3 | -76 | -173.9 | -71 | 105.8 | -5.6 | 111.7 | D193 A194 I199 R200 E201 | D193-R197 WeakPolarHBondContact O-CB 3.29Å; D193-R197 WeakPolarHBondContact O-CG 3.47Å; D193-R197 PolarHBondContact O-N 3.41Å; D193-R197 IonicContact OD2-CZ 3.57Å; D193-R197 IonicContact OD2-NE 2.76Å; D193-R197 PolarHBondContact OD2-NE 2.87Å; D193-R197 IonicContact OD2-NH2 2.65Å; D193-R197 PolarHBondContact OD2-NH2 3.06Å; A194-R197 PolarHBondContact O-N 3.41Å; R197-I199 PolarHBondContact O-N 3.47Å; R197-R200 WeakPolarHBondContact O-CB 3.39Å; R197-R200 PolarHBondContact O-N 3.26Å; R197-R200 VanDerWaalsContact O-N 3.16Å; R197-E201 PolarHBondContact O-N 2.84Å; R197-E201 VanDerWaalsContact O-N 3.11Å |
| 198 | R | 83.3 | Confident | 79.6 | Confident | 132 Ų | 132 | 91.7 Ų | 91.7 | 50% | 0.498 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -53.8 | -52 | 174.9 | 179.3 | -176.1 | -66.5 | 176.7 | -2.7 | 111.6 | A194 Q195 R200 E201 E202 | A194-R198 WeakPolarHBondContact O-CB 3.38Å; A194-R198 PolarHBondContact O-N 3.32Å; Q195-R198 PolarHBondContact O-N 3.23Å; R198-R200 VanDerWaalsContact C-N 3.27Å; R198-R200 PolarHBondContact O-N 3.02Å; R198-E201 PolarHBondContact O-N 3.34Å; R198-E202 VanDerWaalsContact CD-OE1 3.27Å; R198-E202 WeakPolarHBondContact CD-OE1 3.45Å; R198-E202 HydrophobicContact CG-CG 4.06Å; R198-E202 WeakPolarHBondContact CG-OE1 3.4Å; R198-E202 VanDerWaalsContact CG-OE2 3.32Å; R198-E202 WeakPolarHBondContact CG-OE2 3.42Å; R198-E202 WeakPolarHBondContact O-CB 3.36Å; R198-E202 WeakPolarHBondContact O-CG 3.44Å; R198-E202 PolarHBondContact O-N 3Å |
| 199 | I | 80.7 | Confident | 79.2 | Confident | 56 Ų | 56 | 88.6 Ų | 88.6 | 29% | 0.287 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.3 | -35.9 | -179.5 | -67.7 | 163.6 | 0 | 0 | 0 | 111.9 | Q195 R197 E201 D203 L206 | Q195-I199 WeakPolarHBondContact O-CD1 3.43Å; Q195-I199 VanDerWaalsContact O-CG1 3.28Å; Q195-I199 WeakPolarHBondContact O-CG1 3.22Å; Q195-I199 PolarHBondContact O-N 3.04Å; R197-I199 PolarHBondContact O-N 3.47Å; I199-E201 VanDerWaalsContact C-N 3.34Å; I199-D203 CarbonylContact O-C 3.56Å; I199-D203 PolarHBondContact O-N 3.05Å; I199-L206 HydrophobicContact CG2-CD1 3.97Å |
| 200 | R | 80.1 | Confident | 78.7 | Confident | 150 Ų | 150 | 81.3 Ų | 81.3 | 57% | 0.566 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -69.5 | -29.8 | 176.9 | -73.7 | 170.4 | 177.1 | -175.3 | 1.7 | 113.5 | I196 R197 R198 | I196-R200 VanDerWaalsContact O-CG 3.29Å; I196-R200 WeakPolarHBondContact O-CG 3.18Å; I196-R200 PolarHBondContact O-N 3.16Å; I196-R200 VanDerWaalsContact O-N 3.11Å; R197-R200 WeakPolarHBondContact O-CB 3.39Å; R197-R200 PolarHBondContact O-N 3.26Å; R197-R200 VanDerWaalsContact O-N 3.16Å; R198-R200 VanDerWaalsContact C-N 3.27Å; R198-R200 PolarHBondContact O-N 3.02Å |
| 201 | E | 80 | Confident | 78.1 | Confident | 146 Ų | 146 | 83.3 Ų | 83.3 | 68% | 0.682 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -87.2 | -40.1 | -178.7 | -169.9 | 172.5 | -177 | 0 | 0 | 111.8 | R197 R198 I199 | R197-E201 PolarHBondContact O-N 2.84Å; R197-E201 VanDerWaalsContact O-N 3.11Å; R198-E201 PolarHBondContact O-N 3.34Å; I199-E201 VanDerWaalsContact C-N 3.34Å |
| 202 | E | 74.6 | Confident | 77.6 | Confident | 119 Ų | 119 | 81.7 Ų | 81.7 | 56% | 0.556 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -70.9 | -42.8 | 175.6 | -70.6 | 173.4 | 174.1 | 0 | 0 | 112.1 | R198 | R198-E202 VanDerWaalsContact CD-OE1 3.27Å; R198-E202 WeakPolarHBondContact CD-OE1 3.45Å; R198-E202 HydrophobicContact CG-CG 4.06Å; R198-E202 WeakPolarHBondContact CG-OE1 3.4Å; R198-E202 VanDerWaalsContact CG-OE2 3.32Å; R198-E202 WeakPolarHBondContact CG-OE2 3.42Å; R198-E202 WeakPolarHBondContact O-CB 3.36Å; R198-E202 WeakPolarHBondContact O-CG 3.44Å; R198-E202 PolarHBondContact O-N 3Å |
| 203 | D | 71.4 | Confident | 77.3 | Confident | 71 Ų | 71 | 85.3 Ų | 85.3 | 38% | 0.38 | 41% | 0.414 | S | S | . | . | | | trans | -128.9 | 80.8 | -179.6 | -87.9 | -43.6 | 0 | 0 | 0 | 112.8 | I199 S205 L206 | I199-D203 CarbonylContact O-C 3.56Å; I199-D203 PolarHBondContact O-N 3.05Å; D203-S205 PolarHBondContact O-N 2.9Å; D203-S205 VanDerWaalsContact O-N 3.08Å; D203-L206 HydrophobicContact CB-CB 4.32Å; D203-L206 HydrophobicContact CB-CD1 3.7Å; D203-L206 HydrophobicContact CB-CG 3.84Å; D203-L206 PolarHBondContact O-N 2.85Å |
| 204 | P | 74.2 | Confident | 77.2 | Confident | 85 Ų | 85 | 87.9 Ų | 87.9 | 55% | 0.552 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -57.4 | -24.9 | 173.6 | -25.6 | 35.1 | 0 | 0 | 0 | 113.7 | L206 S207 L208 | P204-L206 VanDerWaalsContact C-N 3.33Å; P204-L206 PolarHBondContact O-N 3.22Å; P204-S207 WeakPolarHBondContact O-CB 3.45Å; P204-S207 PolarHBondContact O-N 3.35Å; P204-L208 PolarHBondContact O-N 3.32Å |
| 205 | S | 69.9 | Low | 77.2 | Confident | 63 Ų | 63 | 89.6 Ų | 89.6 | 44% | 0.441 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.6 | -34.4 | 175.5 | 60.3 | 0 | 0 | 0 | 0 | 112.9 | D203 L208 A209 | D203-S205 PolarHBondContact O-N 2.9Å; D203-S205 VanDerWaalsContact O-N 3.08Å; S205-L208 PolarHBondContact O-N 3.44Å; S205-A209 WeakPolarHBondContact O-CB 3.48Å; S205-A209 PolarHBondContact O-N 2.82Å |
| 206 | L | 70.6 | Confident | 77.2 | Confident | 78 Ų | 78 | 90.2 Ų | 90.2 | 41% | 0.408 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -72.6 | -35.5 | 176.6 | -66 | 176.9 | 0 | 0 | 0 | 111.5 | I199 D203 P204 A209 S210 | I199-L206 HydrophobicContact CG2-CD1 3.97Å; D203-L206 HydrophobicContact CB-CB 4.32Å; D203-L206 HydrophobicContact CB-CD1 3.7Å; D203-L206 HydrophobicContact CB-CG 3.84Å; D203-L206 PolarHBondContact O-N 2.85Å; P204-L206 VanDerWaalsContact C-N 3.33Å; P204-L206 PolarHBondContact O-N 3.22Å; L206-A209 PolarHBondContact O-N 3.26Å; L206-S210 PolarHBondContact O-N 2.67Å |
| 207 | S | 71.7 | Confident | 77.6 | Confident | 51 Ų | 51 | 90 Ų | 90 | 36% | 0.357 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 170.7 | -170.8 | 0 | 0 | 0 | 0 | 111.2 | P204 S210 R211 | P204-S207 WeakPolarHBondContact O-CB 3.45Å; P204-S207 PolarHBondContact O-N 3.35Å; S207-S210 WeakPolarHBondContact O-CB 3.35Å; S207-S210 PolarHBondContact O-N 3.33Å; S207-R211 PolarHBondContact O-N 3.18Å |
| 208 | L | 73.8 | Confident | 78 | Confident | 44 Ų | 44 | 89 Ų | 89 | 23% | 0.23 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 175.3 | -171.6 | 69.1 | 0 | 0 | 0 | 112.2 | M1 P204 S205 S210 R211 F212 | M1-L208 HydrophobicContact CE-CD2 3.95Å; M1-L208 HydrophobicContact SD-CD2 4.19Å; P204-L208 PolarHBondContact O-N 3.32Å; S205-L208 PolarHBondContact O-N 3.44Å; L208-S210 VanDerWaalsContact C-N 3.27Å; L208-S210 PolarHBondContact O-N 3.24Å; L208-R211 PolarHBondContact O-N 3.47Å; L208-F212 HydrophobicContact CD1-CE2 4.06Å; L208-F212 HydrophobicContact CD1-CZ 4.49Å; L208-F212 HydrophobicContact CD2-CE2 3.83Å; L208-F212 HydrophobicContact CG-CD2 4.01Å; L208-F212 HydrophobicContact CG-CE2 3.56Å; L208-F212 HydrophobicContact CG-CZ 4.42Å; L208-F212 WeakPolarHBondContact O-CD2 3.22Å; L208-F212 PolarHBondContact O-N 3.23Å |
| 209 | A | 71.6 | Confident | 78.2 | Confident | 16 Ų | 16 | 83.6 Ų | 83.6 | 13% | 0.132 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.7 | -34.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S205 L206 F212 R213 F247 | S205-A209 WeakPolarHBondContact O-CB 3.48Å; S205-A209 PolarHBondContact O-N 2.82Å; L206-A209 PolarHBondContact O-N 3.26Å; A209-F212 PolarHBondContact O-N 3.01Å; A209-R213 WeakPolarHBondContact O-CB 3.44Å; A209-R213 PolarHBondContact O-N 3.49Å; A209-F247 HydrophobicContact CB-CD1 4.08Å; A209-F247 HydrophobicContact CB-CD2 4.09Å; A209-F247 HydrophobicContact CB-CE1 4.27Å; A209-F247 HydrophobicContact CB-CE2 4.28Å; A209-F247 HydrophobicContact CB-CG 3.99Å; A209-F247 HydrophobicContact CB-CZ 4.37Å |
| 210 | S | 72.5 | Confident | 78.6 | Confident | 64 Ų | 64 | 83.7 Ų | 83.7 | 45% | 0.448 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 172.1 | -169.9 | 0 | 0 | 0 | 0 | 112.3 | L206 S207 L208 R213 Q214 | L206-S210 PolarHBondContact O-N 2.67Å; S207-S210 WeakPolarHBondContact O-CB 3.35Å; S207-S210 PolarHBondContact O-N 3.33Å; L208-S210 VanDerWaalsContact C-N 3.27Å; L208-S210 PolarHBondContact O-N 3.24Å; S210-R213 PolarHBondContact O-N 3.03Å; S210-Q214 WeakPolarHBondContact O-CG 3.4Å; S210-Q214 PolarHBondContact O-N 3.1Å |
| 211 | R | 73.8 | Confident | 79.3 | Confident | 155 Ų | 155 | 81 Ų | 81 | 59% | 0.585 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -67 | -40.7 | 174 | -63.7 | -160.7 | -62 | -171.2 | 0.6 | 112.2 | S207 L208 R213 Q214 V215 | S207-R211 PolarHBondContact O-N 3.18Å; L208-R211 PolarHBondContact O-N 3.47Å; R211-R213 VanDerWaalsContact C-N 3.29Å; R211-R213 PolarHBondContact O-N 3.09Å; R211-Q214 WeakPolarHBondContact O-CB 3.32Å; R211-Q214 PolarHBondContact O-N 3.5Å; R211-Q214 VanDerWaalsContact O-N 3.14Å; R211-V215 PolarHBondContact O-N 3.4Å |
| 212 | F | 76.2 | Confident | 79.7 | Confident | 62 Ų | 62 | 75.7 Ų | 75.7 | 27% | 0.272 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.3 | -35.7 | 173.6 | -72.2 | -55.8 | 0 | 0 | 0 | 112.6 | L208 A209 Q214 V215 Q216 F245 F247 | L208-F212 HydrophobicContact CD1-CE2 4.06Å; L208-F212 HydrophobicContact CD1-CZ 4.49Å; L208-F212 HydrophobicContact CD2-CE2 3.83Å; L208-F212 HydrophobicContact CG-CD2 4.01Å; L208-F212 HydrophobicContact CG-CE2 3.56Å; L208-F212 HydrophobicContact CG-CZ 4.42Å; L208-F212 WeakPolarHBondContact O-CD2 3.22Å; L208-F212 PolarHBondContact O-N 3.23Å; A209-F212 PolarHBondContact O-N 3.01Å; F212-Q214 VanDerWaalsContact C-N 3.35Å; F212-V215 WeakPolarHBondContact O-CB 3.42Å; F212-V215 PolarHBondContact O-N 3.07Å; F212-Q216 WeakPolarHBondContact O-CG 3.37Å; F212-Q216 PolarHBondContact O-N 3.1Å; F212-F245 HydrophobicContact CB-CD2 4.06Å; F212-F245 HydrophobicContact CB-CE2 4.41Å; F212-F245 AromaticContact CD1-CD2 3.9Å; F212-F245 HydrophobicContact CD1-CD2 3.9Å; F212-F245 HydrophobicContact CD1-CE1 4.46Å; F212-F245 AromaticContact CD1-CE2 3.4Å; F212-F245 HydrophobicContact CD1-CE2 3.4Å; F212-F245 AromaticContact CD1-CZ 3.73Å; F212-F245 HydrophobicContact CD1-CZ 3.73Å; F212-F245 HydrophobicContact CE1-CE1 4.25Å; F212-F245 AromaticContact CE1-CE2 3.78Å; F212-F245 HydrophobicContact CE1-CE2 3.78Å; F212-F245 AromaticContact CE1-CZ 3.59Å; F212-F245 HydrophobicContact CE1-CZ 3.59Å; F212-F245 HydrophobicContact CG-CD2 4.04Å; F212-F245 HydrophobicContact CG-CE2 4.01Å; F212-F245 HydrophobicContact CG-CG 4.46Å; F212-F245 HydrophobicContact CG-CZ 4.42Å; F212-F245 HydrophobicContact CZ-CE1 4.38Å; F212-F245 HydrophobicContact CZ-CZ 4.15Å; F212-F247 HydrophobicContact CD2-CE2 4.1Å |
| 213 | R | 79.8 | Confident | 80.5 | Confident | 143 Ų | 143 | 71 Ų | 71 | 54% | 0.54 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.9 | -36.7 | 172.2 | -168.4 | 177.1 | -177.4 | -170.1 | 0.1 | 112.3 | A209 S210 R211 Q216 V217 | A209-R213 WeakPolarHBondContact O-CB 3.44Å; A209-R213 PolarHBondContact O-N 3.49Å; S210-R213 PolarHBondContact O-N 3.03Å; R211-R213 VanDerWaalsContact C-N 3.29Å; R211-R213 PolarHBondContact O-N 3.09Å; R213-Q216 PolarHBondContact O-N 2.96Å; R213-V217 WeakPolarHBondContact O-CB 3.38Å; R213-V217 VanDerWaalsContact O-CG2 3.29Å; R213-V217 WeakPolarHBondContact O-CG2 3.33Å; R213-V217 PolarHBondContact O-N 2.89Å |
| 214 | Q | 82.9 | Confident | 81.4 | Confident | 126 Ų | 126 | 70.1 Ų | 70.1 | 59% | 0.589 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.2 | -42.7 | 172 | -68.9 | 166.6 | -8.1 | 0 | 0 | 111.4 | S210 R211 F212 V217 L218 | S210-Q214 WeakPolarHBondContact O-CG 3.4Å; S210-Q214 PolarHBondContact O-N 3.1Å; R211-Q214 WeakPolarHBondContact O-CB 3.32Å; R211-Q214 PolarHBondContact O-N 3.5Å; R211-Q214 VanDerWaalsContact O-N 3.14Å; F212-Q214 VanDerWaalsContact C-N 3.35Å; Q214-V217 PolarHBondContact O-N 3.07Å; Q214-L218 WeakPolarHBondContact O-CB 3.36Å; Q214-L218 PolarHBondContact O-N 3.36Å |
| 215 | V | 85.8 | Confident | 82.1 | Confident | 67 Ų | 67 | 72.8 Ų | 72.8 | 41% | 0.406 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 173.8 | 177 | 0 | 0 | 0 | 0 | 110.9 | R211 F212 V217 L218 T219 P243 | R211-V215 PolarHBondContact O-N 3.4Å; F212-V215 WeakPolarHBondContact O-CB 3.42Å; F212-V215 PolarHBondContact O-N 3.07Å; V215-V217 PolarHBondContact O-N 3.28Å; V215-L218 PolarHBondContact O-N 3.31Å; V215-T219 PolarHBondContact O-N 2.97Å; V215-T219 PolarHBondContact O-OG1 2.85Å; V215-T219 VanDerWaalsContact O-OG1 3.05Å; V215-P243 HydrophobicContact CG1-CG 4.31Å |
| 216 | Q | 84.4 | Confident | 82.9 | Confident | 56 Ų | 56 | 73.2 Ų | 73.2 | 26% | 0.262 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.3 | -42.5 | 177.1 | -72.9 | 171.9 | -23 | 0 | 0 | 112.8 | F212 R213 T219 A220 P243 | F212-Q216 WeakPolarHBondContact O-CG 3.37Å; F212-Q216 PolarHBondContact O-N 3.1Å; R213-Q216 PolarHBondContact O-N 2.96Å; Q216-T219 PolarHBondContact O-N 2.88Å; Q216-A220 WeakPolarHBondContact O-CB 3.1Å; Q216-A220 PolarHBondContact O-N 3.38Å; Q216-P243 PolarHBondContact NE2-O 3.07Å |
| 217 | V | 89.1 | Confident | 83.7 | Confident | 76 Ų | 76 | 71.6 Ų | 71.6 | 46% | 0.461 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 175.9 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | R213 Q214 V215 A220 M221 | R213-V217 WeakPolarHBondContact O-CB 3.38Å; R213-V217 VanDerWaalsContact O-CG2 3.29Å; R213-V217 WeakPolarHBondContact O-CG2 3.33Å; R213-V217 PolarHBondContact O-N 2.89Å; Q214-V217 PolarHBondContact O-N 3.07Å; V215-V217 PolarHBondContact O-N 3.28Å; V217-A220 PolarHBondContact O-N 3.01Å; V217-M221 HydrophobicContact CG1-CE 4.15Å; V217-M221 WeakPolarHBondContact O-CG 3.21Å; V217-M221 PolarHBondContact O-N 3.01Å |
| 218 | L | 91.2 | Very high | 84.5 | Confident | 109 Ų | 109 | 74.5 Ų | 74.5 | 57% | 0.571 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.4 | -44.8 | 174.9 | -176.5 | 62.4 | 0 | 0 | 0 | 111.8 | Q214 V215 A220 M221 A222 | Q214-L218 WeakPolarHBondContact O-CB 3.36Å; Q214-L218 PolarHBondContact O-N 3.36Å; V215-L218 PolarHBondContact O-N 3.31Å; L218-A220 VanDerWaalsContact C-N 3.32Å; L218-A220 PolarHBondContact O-N 3.3Å; L218-M221 HydrophobicContact CD1-CE 4.16Å; L218-M221 PolarHBondContact O-N 3.11Å; L218-A222 WeakPolarHBondContact O-CB 3.46Å; L218-A222 PolarHBondContact O-N 3.16Å |
| 219 | T | 89.1 | Confident | 85 | Confident | 18 Ų | 18 | 79.6 Ų | 79.6 | 11% | 0.11 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.9 | -40.1 | 174.1 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | V215 Q216 A222 N223 L240 | V215-T219 PolarHBondContact O-N 2.97Å; V215-T219 PolarHBondContact O-OG1 2.85Å; V215-T219 VanDerWaalsContact O-OG1 3.05Å; Q216-T219 PolarHBondContact O-N 2.88Å; T219-A222 PolarHBondContact O-N 3.2Å; T219-N223 VanDerWaalsContact O-CB 3.29Å; T219-N223 WeakPolarHBondContact O-CB 3.39Å; T219-N223 PolarHBondContact O-N 2.99Å; T219-N223 PolarHBondContact O-ND2 3.45Å; T219-L240 HydrophobicContact CG2-CB 3.99Å |
| 220 | A | 89.1 | Confident | 85.8 | Confident | 58 Ų | 58 | 80.3 Ų | 80.3 | 48% | 0.479 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65 | -44.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q216 V217 L218 N223 A224 | Q216-A220 WeakPolarHBondContact O-CB 3.1Å; Q216-A220 PolarHBondContact O-N 3.38Å; V217-A220 PolarHBondContact O-N 3.01Å; L218-A220 VanDerWaalsContact C-N 3.32Å; L218-A220 PolarHBondContact O-N 3.3Å; A220-N223 PolarHBondContact O-N 3.47Å; A220-A224 PolarHBondContact O-N 3.03Å |
| 221 | M | 93.6 | Very high | 86.4 | Confident | 95 Ų | 95 | 84.8 Ų | 84.8 | 47% | 0.468 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 174.5 | -72.3 | -172.1 | -60.3 | 0 | 0 | 111.7 | V217 L218 N223 A224 F225 | V217-M221 HydrophobicContact CG1-CE 4.15Å; V217-M221 WeakPolarHBondContact O-CG 3.21Å; V217-M221 PolarHBondContact O-N 3.01Å; L218-M221 HydrophobicContact CD1-CE 4.16Å; L218-M221 PolarHBondContact O-N 3.11Å; M221-N223 VanDerWaalsContact C-N 3.31Å; M221-N223 PolarHBondContact O-N 3.26Å; M221-A224 WeakPolarHBondContact O-CA 3.25Å; M221-A224 WeakPolarHBondContact O-CB 3.3Å; M221-A224 PolarHBondContact O-N 3.28Å; M221-F225 HydrophobicContact CB-CE2 4.29Å; M221-F225 WeakPolarHBondContact O-CD2 3.29Å; M221-F225 PolarHBondContact O-N 3.19Å |
| 222 | A | 89.2 | Confident | 87.2 | Confident | 34 Ų | 34 | 83.3 Ų | 83.3 | 28% | 0.281 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -56.8 | -45.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L218 T219 A224 F225 Y226 L240 | L218-A222 WeakPolarHBondContact O-CB 3.46Å; L218-A222 PolarHBondContact O-N 3.16Å; T219-A222 PolarHBondContact O-N 3.2Å; A222-A224 VanDerWaalsContact C-N 3.29Å; A222-A224 PolarHBondContact O-N 3.38Å; A222-F225 PolarHBondContact O-N 2.91Å; A222-Y226 WeakPolarHBondContact O-CB 3.47Å; A222-Y226 PolarHBondContact O-N 3.01Å; A222-L240 HydrophobicContact CB-CD1 3.82Å |
| 223 | N | 90.4 | Very high | 87.6 | Confident | 19 Ų | 19 | 82.4 Ų | 82.4 | 10% | 0.102 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.4 | -28.4 | 175.4 | -80 | -27.2 | 0 | 0 | 0 | 113.8 | T219 A220 M221 S227 K239 L240 | T219-N223 VanDerWaalsContact O-CB 3.29Å; T219-N223 WeakPolarHBondContact O-CB 3.39Å; T219-N223 PolarHBondContact O-N 2.99Å; T219-N223 PolarHBondContact O-ND2 3.45Å; A220-N223 PolarHBondContact O-N 3.47Å; M221-N223 VanDerWaalsContact C-N 3.31Å; M221-N223 PolarHBondContact O-N 3.26Å; N223-S227 WeakPolarHBondContact O-CB 3.28Å; N223-S227 PolarHBondContact O-N 3.43Å; N223-S227 PolarHBondContact O-OG 3.33Å; N223-K239 WeakPolarHBondContact OD1-CB 3.5Å; N223-L240 PolarHBondContact ND2-O 3.38Å; N223-L240 PolarHBondContact OD1-N 3.29Å |
| 224 | A | 90.1 | Very high | 87.8 | Confident | 53 Ų | 53 | 86.4 Ų | 86.4 | 44% | 0.438 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -71 | -50.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A220 M221 A222 Y226 S227 L228 | A220-A224 PolarHBondContact O-N 3.03Å; M221-A224 WeakPolarHBondContact O-CA 3.25Å; M221-A224 WeakPolarHBondContact O-CB 3.3Å; M221-A224 PolarHBondContact O-N 3.28Å; A222-A224 VanDerWaalsContact C-N 3.29Å; A222-A224 PolarHBondContact O-N 3.38Å; A224-Y226 VanDerWaalsContact C-N 3.25Å; A224-Y226 PolarHBondContact O-N 3.11Å; A224-S227 WeakPolarHBondContact O-CB 3.29Å; A224-S227 PolarHBondContact O-N 2.88Å; A224-S227 VanDerWaalsContact O-N 3.1Å; A224-L228 WeakPolarHBondContact O-CG 3.41Å; A224-L228 PolarHBondContact O-N 2.81Å |
| 225 | F | 89.1 | Confident | 87.4 | Confident | 142 Ų | 142 | 83.6 Ų | 83.6 | 62% | 0.623 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -57.2 | -40.3 | 174.3 | -70.5 | -61.5 | 0 | 0 | 0 | 112.4 | M221 A222 L228 Y229 | M221-F225 HydrophobicContact CB-CE2 4.29Å; M221-F225 WeakPolarHBondContact O-CD2 3.29Å; M221-F225 PolarHBondContact O-N 3.19Å; A222-F225 PolarHBondContact O-N 2.91Å; F225-L228 WeakPolarHBondContact O-CB 3.45Å; F225-L228 PolarHBondContact O-N 3.21Å; F225-Y229 PolarHBondContact O-N 3.22Å |
| 226 | Y | 86.9 | Confident | 86.5 | Confident | 72 Ų | 72 | 86.3 Ų | 86.3 | 28% | 0.282 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -69.4 | -33.2 | 178.5 | -163.7 | -106.3 | 0 | 0 | 0 | 112.6 | A222 A224 S230 L237 Q238 K239 | A222-Y226 WeakPolarHBondContact O-CB 3.47Å; A222-Y226 PolarHBondContact O-N 3.01Å; A224-Y226 VanDerWaalsContact C-N 3.25Å; A224-Y226 PolarHBondContact O-N 3.11Å; Y226-S230 VanDerWaalsContact O-CB 3.28Å; Y226-S230 WeakPolarHBondContact O-CB 3.42Å; Y226-S230 PolarHBondContact O-N 3.1Å; Y226-L237 HydrophobicContact CD1-CB 4.02Å; Y226-L237 HydrophobicContact CD2-CD1 4.18Å; Y226-L237 HydrophobicContact CE1-CB 3.41Å; Y226-L237 VanDerWaalsContact CE1-CB 3.41Å; Y226-L237 HydrophobicContact CE1-CG 4.5Å; Y226-L237 WeakPolarHBondContact CE1-O 3.48Å; Y226-L237 HydrophobicContact CE2-CB 4.03Å; Y226-L237 HydrophobicContact CE2-CD1 3.9Å; Y226-L237 HydrophobicContact CE2-CD2 4.25Å; Y226-L237 HydrophobicContact CE2-CG 4.3Å; Y226-L237 VanDerWaalsContact CZ-CB 3.42Å; Y226-Q238 VanDerWaalsContact CE1-N 3.31Å; Y226-Q238 WeakPolarHBondContact CE1-O 3.44Å; Y226-Q238 VanDerWaalsContact CZ-O 3.29Å; Y226-Q238 PolarHBondContact OH-N 2.85Å; Y226-Q238 PolarHBondContact OH-O 3.27Å; Y226-K239 HydrophobicContact CD1-CG 4.03Å; Y226-K239 HydrophobicContact CE1-CG 4.41Å |
| 227 | S | 87.8 | Confident | 85.9 | Confident | 44 Ų | 44 | 86.6 Ų | 86.6 | 31% | 0.308 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 169.3 | -55.6 | 0 | 0 | 0 | 0 | 111.8 | N223 A224 H231 K239 | N223-S227 WeakPolarHBondContact O-CB 3.28Å; N223-S227 PolarHBondContact O-N 3.43Å; N223-S227 PolarHBondContact O-OG 3.33Å; A224-S227 WeakPolarHBondContact O-CB 3.29Å; A224-S227 PolarHBondContact O-N 2.88Å; A224-S227 VanDerWaalsContact O-N 3.1Å; S227-H231 PolarHBondContact O-N 2.99Å; S227-H231 VanDerWaalsContact O-N 3.1Å; S227-K239 WeakPolarHBondContact OG-CE 3.48Å; S227-K239 PolarHBondContact OG-NZ 2.92Å |
| 228 | L | 88.1 | Confident | 85.1 | Confident | 112 Ų | 112 | 91.3 Ų | 91.3 | 59% | 0.586 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.3 | -47.6 | 176.3 | -69.6 | 170.2 | 0 | 0 | 0 | 111.3 | A224 F225 S230 H231 V232 | A224-L228 WeakPolarHBondContact O-CG 3.41Å; A224-L228 PolarHBondContact O-N 2.81Å; F225-L228 WeakPolarHBondContact O-CB 3.45Å; F225-L228 PolarHBondContact O-N 3.21Å; L228-S230 PolarHBondContact O-N 3.42Å; L228-H231 WeakPolarHBondContact O-CB 3.45Å; L228-H231 PolarHBondContact O-N 2.9Å; L228-V232 WeakPolarHBondContact O-CG2 3.23Å; L228-V232 PolarHBondContact O-N 2.91Å; L228-V232 VanDerWaalsContact O-N 3.1Å |
| 229 | Y | 85.6 | Confident | 84.3 | Confident | 151 Ų | 151 | 92.1 Ų | 92.1 | 59% | 0.592 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60 | -48.8 | 177.5 | -172.6 | -81.1 | 0 | 0 | 0 | 110.8 | F225 H231 V232 S233 L237 | F225-Y229 PolarHBondContact O-N 3.22Å; Y229-H231 PolarHBondContact O-N 3.18Å; Y229-V232 PolarHBondContact O-N 3.4Å; Y229-S233 WeakPolarHBondContact O-CB 3.35Å; Y229-S233 PolarHBondContact O-N 3.32Å; Y229-S233 PolarHBondContact O-OG 3Å; Y229-L237 HydrophobicContact CD1-CD1 3.46Å; Y229-L237 VanDerWaalsContact CD1-CD1 3.46Å; Y229-L237 HydrophobicContact CE1-CD1 4Å; Y229-L237 HydrophobicContact CG-CD1 4.44Å |
| 230 | S | 86.4 | Confident | 83.6 | Confident | 31 Ų | 31 | 96.1 Ų | 96.1 | 22% | 0.217 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -57.1 | -35 | 177.6 | -170.9 | 0 | 0 | 0 | 0 | 113.2 | Y226 L228 R234 T235 | Y226-S230 VanDerWaalsContact O-CB 3.28Å; Y226-S230 WeakPolarHBondContact O-CB 3.42Å; Y226-S230 PolarHBondContact O-N 3.1Å; L228-S230 PolarHBondContact O-N 3.42Å; S230-R234 WeakPolarHBondContact O-CA 3.26Å; S230-R234 PolarHBondContact O-N 3.31Å; S230-R234 VanDerWaalsContact O-N 3.11Å; S230-T235 WeakPolarHBondContact CA-O 3.14Å; S230-T235 WeakPolarHBondContact CB-O 3.47Å; S230-T235 PolarHBondContact OG-O 3.27Å |
| 231 | H | 85.9 | Confident | 82.7 | Confident | 157 Ų | 157 | 97.6 Ų | 97.6 | 73% | 0.727 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.5 | -41.2 | 175.4 | -173.4 | 73 | 0 | 0 | 0 | 112.6 | S227 L228 Y229 | S227-H231 PolarHBondContact O-N 2.99Å; S227-H231 VanDerWaalsContact O-N 3.1Å; L228-H231 WeakPolarHBondContact O-CB 3.45Å; L228-H231 PolarHBondContact O-N 2.9Å; Y229-H231 PolarHBondContact O-N 3.18Å |
| 232 | V | 90.2 | Very high | 81.1 | Confident | 124 Ų | 124 | 96.6 Ų | 96.6 | 75% | 0.752 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -77.6 | -44.8 | -179.1 | 176.7 | 0 | 0 | 0 | 0 | 112 | L228 Y229 R234 | L228-V232 WeakPolarHBondContact O-CG2 3.23Å; L228-V232 PolarHBondContact O-N 2.91Å; L228-V232 VanDerWaalsContact O-N 3.1Å; Y229-V232 PolarHBondContact O-N 3.4Å; V232-R234 VanDerWaalsContact C-N 3.28Å; V232-R234 PolarHBondContact O-N 3.11Å |
| 233 | S | 84.8 | Confident | 79.5 | Confident | 44 Ų | 44 | 96.8 Ų | 96.8 | 31% | 0.308 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -74 | -18.6 | -179.9 | 68.5 | 0 | 0 | 0 | 0 | 113.4 | Y229 T235 | Y229-S233 WeakPolarHBondContact O-CB 3.35Å; Y229-S233 PolarHBondContact O-N 3.32Å; Y229-S233 PolarHBondContact O-OG 3Å; S233-T235 WeakPolarHBondContact CB-OG1 3.42Å; S233-T235 PolarHBondContact O-N 3.41Å; S233-T235 VanDerWaalsContact O-N 3.11Å; S233-T235 PolarHBondContact OG-N 3.43Å; S233-T235 VanDerWaalsContact OG-N 3.08Å; S233-T235 PolarHBondContact OG-OG1 3.08Å |
| 234 | R | 84.9 | Confident | 77.5 | Confident | 227 Ų | 227 | 103.9 Ų | 103.9 | 86% | 0.857 | 54% | 0.54 | S | S | * | . | | | trans | 55 | 16.5 | -166.8 | -59 | -176.2 | 177.1 | 155.4 | 0.6 | 114.2 | S230 V232 | S230-R234 WeakPolarHBondContact O-CA 3.26Å; S230-R234 PolarHBondContact O-N 3.31Å; S230-R234 VanDerWaalsContact O-N 3.11Å; V232-R234 VanDerWaalsContact C-N 3.28Å; V232-R234 PolarHBondContact O-N 3.11Å |
| 235 | T | 74.4 | Confident | 75.7 | Confident | 67 Ų | 67 | 105.4 Ų | 105.4 | 41% | 0.411 | 54% | 0.537 | S | S | . | . | | | trans | -93 | 123.5 | 173 | 55 | 0 | 0 | 0 | 0 | 109.4 | S230 S233 L237 | S230-T235 WeakPolarHBondContact CA-O 3.14Å; S230-T235 WeakPolarHBondContact CB-O 3.47Å; S230-T235 PolarHBondContact OG-O 3.27Å; S233-T235 WeakPolarHBondContact CB-OG1 3.42Å; S233-T235 PolarHBondContact O-N 3.41Å; S233-T235 VanDerWaalsContact O-N 3.11Å; S233-T235 PolarHBondContact OG-N 3.43Å; S233-T235 VanDerWaalsContact OG-N 3.08Å; S233-T235 PolarHBondContact OG-OG1 3.08Å; T235-L237 PolarHBondContact O-N 2.99Å |
| 236 | P | 66.4 | Low | 73.3 | Confident | 123 Ų | 123 | 104.6 Ų | 104.6 | 80% | 0.799 | 55% | 0.549 | S | S | * | . | | | trans | -68 | 130.3 | 174.4 | 29 | -33.1 | 0 | 0 | 0 | 108.5 | | |
| 237 | L | 71.8 | Confident | 71.3 | Confident | 63 Ų | 63 | 106.5 Ų | 106.5 | 33% | 0.33 | 56% | 0.559 | S | S | . | * | | | trans | -128 | 137.3 | -170 | -87.8 | -173.7 | 0 | 0 | 0 | 108.4 | Y226 Y229 T235 | Y226-L237 HydrophobicContact CD1-CB 4.02Å; Y226-L237 HydrophobicContact CD2-CD1 4.18Å; Y226-L237 HydrophobicContact CE1-CB 3.41Å; Y226-L237 VanDerWaalsContact CE1-CB 3.41Å; Y226-L237 HydrophobicContact CE1-CG 4.5Å; Y226-L237 WeakPolarHBondContact CE1-O 3.48Å; Y226-L237 HydrophobicContact CE2-CB 4.03Å; Y226-L237 HydrophobicContact CE2-CD1 3.9Å; Y226-L237 HydrophobicContact CE2-CD2 4.25Å; Y226-L237 HydrophobicContact CE2-CG 4.3Å; Y226-L237 VanDerWaalsContact CZ-CB 3.42Å; Y229-L237 HydrophobicContact CD1-CD1 3.46Å; Y229-L237 VanDerWaalsContact CD1-CD1 3.46Å; Y229-L237 HydrophobicContact CE1-CD1 4Å; Y229-L237 HydrophobicContact CG-CD1 4.44Å; T235-L237 PolarHBondContact O-N 2.99Å |
| 238 | Q | 73.1 | Confident | 68.8 | Low | 174 Ų | 174 | 107.7 Ų | 107.7 | 81% | 0.813 | 57% | 0.567 | S | S | * | * | | | trans | -88.1 | 106.5 | -171.7 | -165 | 175.4 | 64.1 | 0 | 0 | 112.9 | Y226 | Y226-Q238 VanDerWaalsContact CE1-N 3.31Å; Y226-Q238 WeakPolarHBondContact CE1-O 3.44Å; Y226-Q238 VanDerWaalsContact CZ-O 3.29Å; Y226-Q238 PolarHBondContact OH-N 2.85Å; Y226-Q238 PolarHBondContact OH-O 3.27Å |
| 239 | K | 74.3 | Confident | 66.4 | Low | 127 Ų | 127 | 103.6 Ų | 103.6 | 55% | 0.552 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 146.3 | -171.7 | -74.7 | -178.3 | 177.7 | -171.5 | 0 | 112.7 | N223 Y226 S227 A241 | N223-K239 WeakPolarHBondContact OD1-CB 3.5Å; Y226-K239 HydrophobicContact CD1-CG 4.03Å; Y226-K239 HydrophobicContact CE1-CG 4.41Å; S227-K239 WeakPolarHBondContact OG-CE 3.48Å; S227-K239 PolarHBondContact OG-NZ 2.92Å; K239-A241 PolarHBondContact O-N 2.98Å |
| 240 | L | 74.4 | Confident | 64.3 | Low | 101 Ų | 101 | 98.6 Ų | 98.6 | 53% | 0.529 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 129.2 | 173 | -61.2 | 176.1 | 0 | 0 | 0 | 109.4 | T219 A222 N223 T242 | T219-L240 HydrophobicContact CG2-CB 3.99Å; A222-L240 HydrophobicContact CB-CD1 3.82Å; N223-L240 PolarHBondContact ND2-O 3.38Å; N223-L240 PolarHBondContact OD1-N 3.29Å; L240-T242 PolarHBondContact O-N 3.01Å |
| 241 | A | 69.4 | Low | 62.2 | Low | 90 Ų | 90 | 101.1 Ų | 101.1 | 74% | 0.744 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 129.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | K239 P243 | K239-A241 PolarHBondContact O-N 2.98Å; A241-P243 WeakPolarHBondContact O-CD 3.27Å |
| 242 | T | 59.3 | Low | 60.1 | Low | 73 Ų | 73 | 98.9 Ų | 98.9 | 45% | 0.448 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 129.4 | 175.2 | -53.4 | 0 | 0 | 0 | 0 | 109.3 | L240 E244 | L240-T242 PolarHBondContact O-N 3.01Å; T242-E244 PolarHBondContact O-N 2.8Å |
| 243 | P | 57.3 | Low | 57.8 | Low | 38 Ų | 38 | 97.3 Ų | 97.3 | 25% | 0.247 | 52% | 0.519 | C | S | . | . | | | trans | -67.4 | 107.2 | 173.6 | -22 | 34.8 | 0 | 0 | 0 | 111.2 | V215 Q216 A241 F245 | V215-P243 HydrophobicContact CG1-CG 4.31Å; Q216-P243 PolarHBondContact NE2-O 3.07Å; A241-P243 WeakPolarHBondContact O-CD 3.27Å; P243-F245 VanDerWaalsContact C-N 3.34Å; P243-F245 HydrophobicContact CB-CD2 3.66Å; P243-F245 HydrophobicContact CB-CE2 3.38Å; P243-F245 HydrophobicContact CB-CZ 4.3Å; P243-F245 HydrophobicContact CG-CE2 4.47Å; P243-F245 PolarHBondContact O-N 3.08Å |
| 244 | E | 48.3 | Very low | 56 | Low | 168 Ų | 168 | 100.9 Ų | 100.9 | 79% | 0.785 | 53% | 0.533 | S | S | * | . | | | trans | -70.2 | 84.4 | 175.8 | -67.9 | -62.4 | 156.1 | 0 | 0 | 110.6 | T242 | T242-E244 PolarHBondContact O-N 2.8Š|
| 245 | F | 51 | Low | 53.8 | Low | 85 Ų | 85 | 97.2 Ų | 97.2 | 37% | 0.373 | 53% | 0.526 | S | S | . | . | | | trans | -105 | 107.7 | 171.1 | -67.2 | -67.1 | 0 | 0 | 0 | 109.9 | F212 P243 F247 | F212-F245 HydrophobicContact CB-CD2 4.06Å; F212-F245 HydrophobicContact CB-CE2 4.41Å; F212-F245 AromaticContact CD1-CD2 3.9Å; F212-F245 HydrophobicContact CD1-CD2 3.9Å; F212-F245 HydrophobicContact CD1-CE1 4.46Å; F212-F245 AromaticContact CD1-CE2 3.4Å; F212-F245 HydrophobicContact CD1-CE2 3.4Å; F212-F245 AromaticContact CD1-CZ 3.73Å; F212-F245 HydrophobicContact CD1-CZ 3.73Å; F212-F245 HydrophobicContact CE1-CE1 4.25Å; F212-F245 AromaticContact CE1-CE2 3.78Å; F212-F245 HydrophobicContact CE1-CE2 3.78Å; F212-F245 AromaticContact CE1-CZ 3.59Å; F212-F245 HydrophobicContact CE1-CZ 3.59Å; F212-F245 HydrophobicContact CG-CD2 4.04Å; F212-F245 HydrophobicContact CG-CE2 4.01Å; F212-F245 HydrophobicContact CG-CG 4.46Å; F212-F245 HydrophobicContact CG-CZ 4.42Å; F212-F245 HydrophobicContact CZ-CE1 4.38Å; F212-F245 HydrophobicContact CZ-CZ 4.15Å; P243-F245 VanDerWaalsContact C-N 3.34Å; P243-F245 HydrophobicContact CB-CD2 3.66Å; P243-F245 HydrophobicContact CB-CE2 3.38Å; P243-F245 HydrophobicContact CB-CZ 4.3Å; P243-F245 HydrophobicContact CG-CE2 4.47Å; P243-F245 PolarHBondContact O-N 3.08Å; F245-F247 HydrophobicContact CB-CD2 3.78Å; F245-F247 HydrophobicContact CB-CE2 3.89Å; F245-F247 HydrophobicContact CG-CE2 4.43Å; F245-F247 PolarHBondContact O-N 3.39Å |
| 246 | S | 39.4 | Very low | 52 | Low | 126 Ų | 126 | 100 Ų | 100 | 88% | 0.881 | 53% | 0.529 | S | S | * | . | | | trans | -71.2 | 58.5 | -178.1 | -54.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 247 | F | 43.9 | Very low | 50.7 | Low | 112 Ų | 112 | 102.2 Ų | 102.2 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | | | trans | -93.7 | 105.6 | 167.9 | -65.2 | -70.6 | 0 | 0 | 0 | 109.1 | A209 F212 F245 S249 | A209-F247 HydrophobicContact CB-CD1 4.08Å; A209-F247 HydrophobicContact CB-CD2 4.09Å; A209-F247 HydrophobicContact CB-CE1 4.27Å; A209-F247 HydrophobicContact CB-CE2 4.28Å; A209-F247 HydrophobicContact CB-CG 3.99Å; A209-F247 HydrophobicContact CB-CZ 4.37Å; F212-F247 HydrophobicContact CD2-CE2 4.1Å; F245-F247 HydrophobicContact CB-CD2 3.78Å; F245-F247 HydrophobicContact CB-CE2 3.89Å; F245-F247 HydrophobicContact CG-CE2 4.43Å; F245-F247 PolarHBondContact O-N 3.39Å; F247-S249 PolarHBondContact O-N 3.45Å |
| 248 | S | 35.9 | Very low | 49.5 | Very low | 68 Ų | 68 | 110 Ų | 110 | 48% | 0.476 | 55% | 0.551 | S | S | . | * | | | trans | -63.4 | 102.6 | -177.7 | -167.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 249 | S | 37 | Very low | 47.7 | Very low | 26 Ų | 26 | 107 Ų | 107 | 18% | 0.182 | 55% | 0.545 | C | S | . | . | | | trans | -62.1 | 127.4 | -178.1 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | F247 V251 E252 | F247-S249 PolarHBondContact O-N 3.45Å; S249-V251 PolarHBondContact O-N 3.04Å; S249-V251 VanDerWaalsContact O-N 3.1Å; S249-V251 PolarHBondContact OG-N 2.98Å; S249-E252 PolarHBondContact O-N 2.89Å |
| 250 | P | 42.5 | Very low | 45.7 | Very low | 46 Ų | 46 | 105.6 Ų | 105.6 | 30% | 0.299 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.5 | -20.3 | 178.4 | 23.3 | -31.9 | 0 | 0 | 0 | 113.1 | R253 | P250-R253 PolarHBondContact O-N 3.14Å |
| 251 | V | 41.8 | Very low | 43.9 | Very low | 84 Ų | 84 | 106.9 Ų | 106.9 | 51% | 0.509 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.2 | -41.9 | 176.3 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | S249 R253 I254 | S249-V251 PolarHBondContact O-N 3.04Å; S249-V251 VanDerWaalsContact O-N 3.1Å; S249-V251 PolarHBondContact OG-N 2.98Å; V251-R253 PolarHBondContact O-N 2.85Å; V251-I254 PolarHBondContact O-N 3.37Å |
| 252 | E | 42.7 | Very low | 42.2 | Very low | 110 Ų | 110 | 113.3 Ų | 113.3 | 51% | 0.514 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.4 | -23.9 | -179 | -64.6 | 171.3 | -171.9 | 0 | 0 | 113.1 | S249 I254 R256 | S249-E252 PolarHBondContact O-N 2.89Å; E252-I254 VanDerWaalsContact C-N 3.35Å; E252-R256 PolarHBondContact O-NE 3.45Å; E252-R256 VanDerWaalsContact O-NE 3.15Å; E252-R256 IonicContact OE2-NH2 3.64Å |
| 253 | R | 41.4 | Very low | 41.5 | Very low | 91 Ų | 91 | 115.6 Ų | 115.6 | 34% | 0.343 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -72.9 | -31.6 | 176.8 | -163.9 | -177.3 | -73.1 | 103.2 | -3.1 | 111 | P250 V251 F257 | P250-R253 PolarHBondContact O-N 3.14Å; V251-R253 PolarHBondContact O-N 2.85Å; R253-F257 HydrophobicContact CG-CE2 4.01Å; R253-F257 WeakPolarHBondContact O-CD2 3.12Å; R253-F257 WeakPolarHBondContact O-CE2 3.32Å |
| 254 | I | 46.4 | Very low | 41.2 | Very low | 119 Ų | 119 | 121.7 Ų | 121.7 | 61% | 0.61 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.1 | -37.9 | -178 | -64.8 | 166 | 0 | 0 | 0 | 111.4 | V251 E252 F257 | V251-I254 PolarHBondContact O-N 3.37Å; E252-I254 VanDerWaalsContact C-N 3.35Å; I254-F257 PolarHBondContact O-N 2.91Å |
| 255 | E | 38.3 | Very low | 41.4 | Very low | 151 Ų | 151 | 118.5 Ų | 118.5 | 71% | 0.706 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.6 | -34 | 174.9 | -66.2 | -140.9 | 140.8 | 0 | 0 | 113.1 | F257 R258 T259 | E255-F257 PolarHBondContact O-N 2.94Å; E255-F257 VanDerWaalsContact O-N 3.11Å; E255-R258 PolarHBondContact O-N 3.45Å; E255-T259 PolarHBondContact O-N 3.27Å |
| 256 | R | 38.4 | Very low | 42 | Very low | 126 Ų | 126 | 121.3 Ų | 121.3 | 48% | 0.475 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -59.3 | -22.2 | 175.9 | -96.8 | 175 | -87.1 | 147.6 | -12.7 | 114.1 | E252 | E252-R256 PolarHBondContact O-NE 3.45Å; E252-R256 VanDerWaalsContact O-NE 3.15Å; E252-R256 IonicContact OE2-NH2 3.64Å |
| 257 | F | 38.3 | Very low | 43.5 | Very low | 168 Ų | 168 | 117.8 Ų | 117.8 | 74% | 0.737 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -84.2 | -2.8 | 173.8 | -68.2 | -64.3 | 0 | 0 | 0 | 114.5 | R253 I254 E255 | R253-F257 HydrophobicContact CG-CE2 4.01Å; R253-F257 WeakPolarHBondContact O-CD2 3.12Å; R253-F257 WeakPolarHBondContact O-CE2 3.32Å; I254-F257 PolarHBondContact O-N 2.91Å; E255-F257 PolarHBondContact O-N 2.94Å; E255-F257 VanDerWaalsContact O-N 3.11Å |
| 258 | R | 46.3 | Very low | 44.9 | Very low | 226 Ų | 226 | 117.2 Ų | 117.2 | 85% | 0.853 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -116.7 | -9.3 | 178.7 | -72.1 | -171.6 | 170.4 | 178.7 | -2.5 | 115.3 | E255 | E255-R258 PolarHBondContact O-N 3.45Å |
| 259 | T | 34.6 | Very low | 46.8 | Very low | 112 Ų | 112 | 118.4 Ų | 118.4 | 69% | 0.687 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -116.4 | 0.9 | 174.5 | 53.4 | 0 | 0 | 0 | 0 | 114.4 | E255 V261 | E255-T259 PolarHBondContact O-N 3.27Å; T259-V261 PolarHBondContact O-N 3.23Å |
| 260 | S | 32.8 | Very low | 48.8 | Very low | 98 Ų | 98 | 121.7 Ų | 121.7 | 69% | 0.685 | 61% | 0.614 | S | S | * | * | | | trans | -77 | 50.1 | 170.7 | -160.9 | 0 | 0 | 0 | 0 | 112.8 | R262 | S260-R262 PolarHBondContact O-N 3.22Š|
| 261 | V | 36.1 | Very low | 50.7 | Low | 128 Ų | 128 | 126 Ų | 126 | 78% | 0.776 | 62% | 0.624 | S | S | * | * | | | trans | -73.6 | 111.4 | 150 | 178 | 0 | 0 | 0 | 0 | 104.6 | T259 S263 | T259-V261 PolarHBondContact O-N 3.23Å; V261-S263 PolarHBondContact O-N 2.91Å |
| 262 | R | 35 | Very low | 52.4 | Low | 225 Ų | 225 | 127.3 Ų | 127.3 | 85% | 0.849 | 63% | 0.627 | S | S | * | * | | | trans | -45.6 | 120.4 | 175.4 | -79.1 | 179 | 163.7 | 159.2 | -4.5 | 109 | S260 E264 | S260-R262 PolarHBondContact O-N 3.22Å; R262-E264 VanDerWaalsContact C-N 3.31Å; R262-E264 PolarHBondContact O-N 2.93Å |
| 263 | S | 45 | Very low | 54.2 | Low | 120 Ų | 120 | 129 Ų | 129 | 84% | 0.839 | 63% | 0.633 | S | S | * | * | | | trans | -61.2 | 104.8 | 155.9 | 39.8 | 0 | 0 | 0 | 0 | 106.4 | V261 | V261-S263 PolarHBondContact O-N 2.91Š|
| 264 | E | 50.6 | Low | 55.8 | Low | 166 Ų | 166 | 127.7 Ų | 127.7 | 78% | 0.776 | 63% | 0.633 | S | S | * | * | | | trans | -49.6 | 138.3 | 178 | -164.2 | 167.8 | -174.1 | 0 | 0 | 108.9 | R262 R266 | R262-E264 VanDerWaalsContact C-N 3.31Å; R262-E264 PolarHBondContact O-N 2.93Å; E264-R266 PolarHBondContact O-N 2.84Å |
| 265 | P | 51.2 | Low | 57.6 | Low | 102 Ų | 102 | 125.6 Ų | 125.6 | 66% | 0.662 | 63% | 0.626 | S | S | * | * | | | trans | -64.1 | 98.2 | -171.4 | 24.9 | -34.2 | 0 | 0 | 0 | 110 | S267 | P265-S267 PolarHBondContact O-N 3.5Š|
| 266 | R | 63.3 | Low | 59.3 | Low | 143 Ų | 143 | 120 Ų | 120 | 54% | 0.54 | 60% | 0.601 | S | S | . | * | | | trans | -38.5 | 129.8 | -180 | -88.1 | -172.9 | 173.2 | 168.3 | 2.6 | 110.5 | E264 E270 R271 D274 | E264-R266 PolarHBondContact O-N 2.84Å; R266-E270 WeakPolarHBondContact CA-OE2 3.39Å; R266-E270 HydrophobicContact CB-CB 4.24Å; R266-R271 HydrophobicContact CB-CG 4.19Å; R266-R271 PolarHBondContact O-NE 3.41Å; R266-R271 PolarHBondContact O-NH1 2.95Å; R266-D274 IonicContact CZ-OD2 3.61Å; R266-D274 IonicContact NH1-OD1 3.2Å; R266-D274 IonicContact NH1-OD2 3.83Å; R266-D274 PolarHBondContact NH1-OD2 2.98Å |
| 267 | S | 72.3 | Confident | 61.1 | Low | 52 Ų | 52 | 119.2 Ų | 119.2 | 36% | 0.364 | 61% | 0.607 | S | S | . | * | | | trans | -52.2 | 145.9 | -175.7 | 169.1 | 0 | 0 | 0 | 0 | 110.1 | P265 V269 E270 R271 | P265-S267 PolarHBondContact O-N 3.5Å; S267-V269 PolarHBondContact O-N 3.11Å; S267-V269 PolarHBondContact OG-N 3.16Å; S267-E270 PolarHBondContact N-OE2 3.11Å; S267-E270 WeakPolarHBondContact O-CA 3.35Å; S267-E270 WeakPolarHBondContact O-CB 3.34Å; S267-E270 PolarHBondContact O-N 3.43Å; S267-R271 PolarHBondContact O-N 3.01Å |
| 268 | P | 73.3 | Confident | 62.9 | Low | 101 Ų | 101 | 120 Ų | 120 | 66% | 0.656 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -50.2 | -32.4 | 174.1 | -27.9 | 35.6 | 0 | 0 | 0 | 113 | L272 | P268-L272 WeakPolarHBondContact O-CB 3.31Å; P268-L272 PolarHBondContact O-N 3.46Å |
| 269 | V | 76.1 | Confident | 64 | Low | 92 Ų | 92 | 115 Ų | 115 | 56% | 0.558 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.6 | -38.9 | 174.6 | 179.9 | 0 | 0 | 0 | 0 | 112.1 | S267 L272 K273 | S267-V269 PolarHBondContact O-N 3.11Å; S267-V269 PolarHBondContact OG-N 3.16Å; V269-L272 PolarHBondContact O-N 3.06Å; V269-K273 HydrophobicContact CG1-CD 4.23Å; V269-K273 WeakPolarHBondContact O-CB 3.41Å; V269-K273 VanDerWaalsContact O-CG 3.27Å; V269-K273 WeakPolarHBondContact O-CG 3.5Å; V269-K273 PolarHBondContact O-N 3.11Å |
| 270 | E | 77.5 | Confident | 65.5 | Low | 96 Ų | 96 | 114.5 Ų | 114.5 | 45% | 0.449 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -71.3 | -39.8 | 176.1 | -66.1 | 176.6 | 140.3 | 0 | 0 | 111.6 | R266 S267 L272 K273 D274 | R266-E270 WeakPolarHBondContact CA-OE2 3.39Å; R266-E270 HydrophobicContact CB-CB 4.24Å; S267-E270 PolarHBondContact N-OE2 3.11Å; S267-E270 WeakPolarHBondContact O-CA 3.35Å; S267-E270 WeakPolarHBondContact O-CB 3.34Å; S267-E270 PolarHBondContact O-N 3.43Å; E270-L272 VanDerWaalsContact C-N 3.33Å; E270-L272 PolarHBondContact O-N 3.27Å; E270-K273 PolarHBondContact O-N 3.17Å; E270-D274 WeakPolarHBondContact O-CB 3.38Å; E270-D274 PolarHBondContact O-N 3.44Å |
| 271 | R | 83.6 | Confident | 66.8 | Low | 137 Ų | 137 | 115.6 Ų | 115.6 | 52% | 0.517 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.2 | -43.5 | 171.8 | -70.9 | 177.6 | 169.3 | 139.2 | -5.3 | 111.3 | R266 S267 D274 T275 | R266-R271 HydrophobicContact CB-CG 4.19Å; R266-R271 PolarHBondContact O-NE 3.41Å; R266-R271 PolarHBondContact O-NH1 2.95Å; S267-R271 PolarHBondContact O-N 3.01Å; R271-D274 PolarHBondContact O-N 2.85Å; R271-T275 WeakPolarHBondContact O-CB 3.36Å; R271-T275 PolarHBondContact O-N 3.06Å; R271-T275 PolarHBondContact O-OG1 3.28Å; R271-T275 VanDerWaalsContact O-OG1 3.07Å |
| 272 | L | 78.3 | Confident | 67.5 | Low | 110 Ų | 110 | 118.9 Ų | 118.9 | 58% | 0.576 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.9 | -44.7 | 174 | -179.4 | 62.1 | 0 | 0 | 0 | 111.4 | P268 V269 E270 T275 V276 | P268-L272 WeakPolarHBondContact O-CB 3.31Å; P268-L272 PolarHBondContact O-N 3.46Å; V269-L272 PolarHBondContact O-N 3.06Å; E270-L272 VanDerWaalsContact C-N 3.33Å; E270-L272 PolarHBondContact O-N 3.27Å; L272-T275 PolarHBondContact O-N 3.06Å; L272-V276 HydrophobicContact CD1-CG2 3.9Å; L272-V276 HydrophobicContact CG-CG2 4.28Å; L272-V276 VanDerWaalsContact O-CB 3.27Å; L272-V276 WeakPolarHBondContact O-CB 3.39Å; L272-V276 WeakPolarHBondContact O-CG2 3.27Å; L272-V276 PolarHBondContact O-N 2.79Å |
| 273 | K | 78.6 | Confident | 68.3 | Low | 145 Ų | 145 | 115.2 Ų | 115.2 | 63% | 0.63 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.7 | -42.3 | 177.4 | -72.6 | 173 | 74.2 | -178.6 | 0 | 112.2 | V269 E270 N277 | V269-K273 HydrophobicContact CG1-CD 4.23Å; V269-K273 WeakPolarHBondContact O-CB 3.41Å; V269-K273 VanDerWaalsContact O-CG 3.27Å; V269-K273 WeakPolarHBondContact O-CG 3.5Å; V269-K273 PolarHBondContact O-N 3.11Å; E270-K273 PolarHBondContact O-N 3.17Å; K273-N277 WeakPolarHBondContact O-CB 3.31Å; K273-N277 PolarHBondContact O-N 3.07Å |
| 274 | D | 76.8 | Confident | 68.2 | Low | 64 Ų | 64 | 112.6 Ų | 112.6 | 34% | 0.342 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.4 | -44.6 | 173.2 | -89.5 | -18.1 | 0 | 0 | 0 | 111.8 | R266 E270 R271 N277 K278 | R266-D274 IonicContact CZ-OD2 3.61Å; R266-D274 IonicContact NH1-OD1 3.2Å; R266-D274 IonicContact NH1-OD2 3.83Å; R266-D274 PolarHBondContact NH1-OD2 2.98Å; E270-D274 WeakPolarHBondContact O-CB 3.38Å; E270-D274 PolarHBondContact O-N 3.44Å; R271-D274 PolarHBondContact O-N 2.85Å; D274-N277 PolarHBondContact O-N 3.09Å; D274-K278 WeakPolarHBondContact O-CB 3.3Å; D274-K278 WeakPolarHBondContact O-CG 3.45Å; D274-K278 PolarHBondContact O-N 3.05Å |
| 275 | T | 82.5 | Confident | 68 | Low | 75 Ų | 75 | 109.9 Ų | 109.9 | 46% | 0.46 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.6 | -43.6 | 178.9 | -64.1 | 0 | 0 | 0 | 0 | 111.7 | R271 L272 K278 M279 | R271-T275 WeakPolarHBondContact O-CB 3.36Å; R271-T275 PolarHBondContact O-N 3.06Å; R271-T275 PolarHBondContact O-OG1 3.28Å; R271-T275 VanDerWaalsContact O-OG1 3.07Å; L272-T275 PolarHBondContact O-N 3.06Å; T275-K278 PolarHBondContact O-N 3.07Å; T275-M279 WeakPolarHBondContact O-CG 3.46Å; T275-M279 PolarHBondContact O-N 2.94Å |
| 276 | V | 74.1 | Confident | 67.9 | Low | 33 Ų | 33 | 110.2 Ų | 110.2 | 20% | 0.2 | 59% | 0.592 | C | S | . | * | H | α-helix | trans | -67.1 | -36.6 | 177.7 | 167.9 | 0 | 0 | 0 | 0 | 111.6 | L272 M279 C280 L281 Y282 | L272-V276 HydrophobicContact CD1-CG2 3.9Å; L272-V276 HydrophobicContact CG-CG2 4.28Å; L272-V276 VanDerWaalsContact O-CB 3.27Å; L272-V276 WeakPolarHBondContact O-CB 3.39Å; L272-V276 WeakPolarHBondContact O-CG2 3.27Å; L272-V276 PolarHBondContact O-N 2.79Å; V276-M279 PolarHBondContact O-N 3.13Å; V276-C280 PolarHBondContact O-N 3.34Å; V276-L281 HydrophobicContact CG1-CB 4.27Å; V276-L281 PolarHBondContact O-N 3.47Å; V276-Y282 HydrophobicContact CG1-CD2 3.52Å; V276-Y282 HydrophobicContact CG1-CE2 3.86Å |
| 277 | N | 77.8 | Confident | 67.1 | Low | 111 Ų | 111 | 115.1 Ų | 115.1 | 59% | 0.594 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.7 | -43 | 172.9 | -170.1 | 37.2 | 0 | 0 | 0 | 111.3 | K273 D274 M279 C280 | K273-N277 WeakPolarHBondContact O-CB 3.31Å; K273-N277 PolarHBondContact O-N 3.07Å; D274-N277 PolarHBondContact O-N 3.09Å; N277-M279 VanDerWaalsContact C-N 3.32Å; N277-M279 PolarHBondContact O-N 3.18Å; N277-C280 PolarHBondContact O-N 3Å |
| 278 | K | 75.7 | Confident | 65.3 | Low | 184 Ų | 184 | 115.7 Ų | 115.7 | 80% | 0.8 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -62.5 | -34.1 | 173 | -85.7 | -172.4 | 169.2 | -171.2 | 0 | 113.7 | D274 T275 | D274-K278 WeakPolarHBondContact O-CB 3.3Å; D274-K278 WeakPolarHBondContact O-CG 3.45Å; D274-K278 PolarHBondContact O-N 3.05Å; T275-K278 PolarHBondContact O-N 3.07Å |
| 279 | M | 70.1 | Confident | 63.7 | Low | 120 Ų | 120 | 116.2 Ų | 116.2 | 59% | 0.591 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 6.5 | 174.6 | -62.9 | -148.4 | -60.2 | 0 | 0 | 113 | T275 V276 N277 L281 | T275-M279 WeakPolarHBondContact O-CG 3.46Å; T275-M279 PolarHBondContact O-N 2.94Å; V276-M279 PolarHBondContact O-N 3.13Å; N277-M279 VanDerWaalsContact C-N 3.32Å; N277-M279 PolarHBondContact O-N 3.18Å; M279-L281 HydrophobicContact CB-CD1 4.26Å; M279-L281 HydrophobicContact CB-CG 3.94Å; M279-L281 HydrophobicContact CE-CD1 3.99Å; M279-L281 PolarHBondContact O-N 2.76Å |
| 280 | C | 65.7 | Low | 61.6 | Low | 102 Ų | 102 | 119.2 Ų | 119.2 | 69% | 0.689 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.1 | 26.5 | 176.9 | -62.2 | 0 | 0 | 0 | 0 | 114.7 | V276 N277 Y282 | V276-C280 PolarHBondContact O-N 3.34Å; N277-C280 PolarHBondContact O-N 3Å; C280-Y282 VanDerWaalsContact C-N 3.25Å; C280-Y282 PolarHBondContact O-N 2.88Å |
| 281 | L | 60.1 | Low | 59.6 | Low | 121 Ų | 121 | 120.2 Ų | 120.2 | 63% | 0.634 | 66% | 0.661 | S | S | * | * | | | trans | -76.3 | -12.7 | -174 | -63.2 | -179.3 | 0 | 0 | 0 | 113.2 | V276 M279 | V276-L281 HydrophobicContact CG1-CB 4.27Å; V276-L281 PolarHBondContact O-N 3.47Å; M279-L281 HydrophobicContact CB-CD1 4.26Å; M279-L281 HydrophobicContact CB-CG 3.94Å; M279-L281 HydrophobicContact CE-CD1 3.99Å; M279-L281 PolarHBondContact O-N 2.76Å |
| 282 | Y | 50.1 | Low | 57.1 | Low | 197 Ų | 197 | 120.8 Ų | 120.8 | 77% | 0.773 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -98.9 | 116.4 | 163.5 | -85.6 | -90.1 | 0 | 0 | 0 | 110.3 | V276 C280 G284 | V276-Y282 HydrophobicContact CG1-CD2 3.52Å; V276-Y282 HydrophobicContact CG1-CE2 3.86Å; C280-Y282 VanDerWaalsContact C-N 3.25Å; C280-Y282 PolarHBondContact O-N 2.88Å; Y282-G284 PolarHBondContact O-N 3.32Å; Y282-G284 VanDerWaalsContact O-N 3.1Å |
| 283 | T | 52.1 | Low | 55 | Low | 148 Ų | 148 | 120.3 Ų | 120.3 | 91% | 0.908 | 69% | 0.686 | S | S | * | * | | | trans | -66.6 | 100.4 | 168.9 | 53.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 284 | G | 42.5 | Very low | 53.3 | Low | 65 Ų | 65 | 118.8 Ų | 118.8 | 67% | 0.67 | 69% | 0.691 | S | S | * | * | | | trans | 172.2 | 97.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y282 P286 | Y282-G284 PolarHBondContact O-N 3.32Å; Y282-G284 VanDerWaalsContact O-N 3.1Å; G284-P286 WeakPolarHBondContact O-CD 3.3Å |
| 285 | S | 47.5 | Very low | 51.1 | Low | 110 Ų | 110 | 123.1 Ų | 123.1 | 77% | 0.769 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 135.4 | 175.6 | 169 | 0 | 0 | 0 | 0 | 113.3 | | |
| 286 | P | 47.3 | Very low | 49 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 71% | 0.708 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 136.2 | 140.9 | 32.8 | -25.6 | 0 | 0 | 0 | 109.9 | G284 | G284-P286 WeakPolarHBondContact O-CD 3.3Š|
| 287 | R | 47.6 | Very low | 47 | Very low | 245 Ų | 245 | 128.7 Ų | 128.7 | 93% | 0.925 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 149.5 | 173.7 | -83.2 | 173.5 | 153.3 | 175.8 | -7.8 | 111.7 | | |
| 288 | G | 34.8 | Very low | 45.6 | Very low | 65 Ų | 65 | 128.9 Ų | 128.9 | 67% | 0.67 | 76% | 0.757 | S | S | * | * | | | trans | 105.4 | 102.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 289 | S | 39.1 | Very low | 43.8 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | | 74.4 | 123.5 | 78.3 | -80.9 | 0 | 0 | 0 | 0 | 112 | | |
| 290 | D | 32.2 | Very low | 42.1 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | | | cis | -139.9 | 137.1 | 11.3 | -69.3 | -56.5 | 0 | 0 | 0 | 113.1 | | |
| 291 | S | 34.9 | Very low | 40.7 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -108.1 | 114 | 172.6 | 56.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 292 | T | 32.3 | Very low | 39.2 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 91% | 0.914 | 79% | 0.788 | S | S | * | * | | | trans | -97.1 | 94 | 172.3 | 167.8 | 0 | 0 | 0 | 0 | 111 | | |
| 293 | S | 34.2 | Very low | 38.3 | Very low | 101 Ų | 101 | 137.1 Ų | 137.1 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | trans | 178.8 | 127.7 | 160 | -175.9 | 0 | 0 | 0 | 0 | 106.9 | | |
| 294 | P | 42 | Very low | 37.6 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | | | | -156.6 | 151.7 | 99.2 | 38.3 | -19.3 | 0 | 0 | 0 | 117.7 | | |
| 295 | Q | 31.4 | Very low | 37.8 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | | | trans | -144.9 | 142.6 | 144.1 | -87.5 | -50.3 | -71.2 | 0 | 0 | 107.6 | | |
| 296 | P | 37.4 | Very low | 36.9 | Very low | 127 Ų | 127 | 143.1 Ų | 143.1 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | | -134.4 | 179.2 | 73.7 | 33.5 | -15.4 | 0 | 0 | 0 | 115.7 | | |
| 297 | S | 31.8 | Very low | 36.5 | Very low | 98 Ų | 98 | 143.5 Ų | 143.5 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | | | trans | -109.2 | -157.3 | -159.4 | 53.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 298 | P | 49.4 | Very low | 35.9 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | | | | -128.2 | 159.3 | -87.5 | 38.8 | -23.5 | 0 | 0 | 0 | 115.3 | | |
| 299 | R | 37.1 | Very low | 35.6 | Very low | 252 Ų | 252 | 142.6 Ų | 142.6 | 95% | 0.951 | 80% | 0.804 | S | S | * | * | | | trans | -143.9 | 107.8 | 163.2 | -85.8 | -163.1 | 163.4 | -151.4 | -3 | 116.1 | | |
| 300 | K | 34.6 | Very low | 35.4 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | | | trans | 21.8 | 126.5 | 147.1 | -70.2 | 178.3 | 175.4 | 175.3 | 0 | 122.1 | | |
| 301 | R | 36.3 | Very low | 35.4 | Very low | 230 Ų | 230 | 143.2 Ų | 143.2 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | | | trans | 66 | 142.4 | 137.8 | -66.8 | -179.2 | 176.8 | 179.1 | -2.9 | 116.8 | | |
| 302 | S | 27.8 | Very low | 35.3 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | cis | -163.7 | 175 | 19.6 | 41 | 0 | 0 | 0 | 0 | 113.4 | | |
| 303 | S | 31.8 | Very low | 35.2 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | | | trans | 91.3 | 152.5 | 157.4 | 73.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 304 | L | 36.9 | Very low | 35 | Very low | 170 Ų | 170 | 150.5 Ų | 150.5 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | | | trans | -99.5 | 170.6 | -159.4 | -89.6 | 167.7 | 0 | 0 | 0 | 112.6 | | |
| 305 | P | 47.7 | Very low | 34.5 | Very low | 117 Ų | 117 | 154.3 Ų | 154.3 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | | | trans | -86.1 | 157.3 | -162.4 | 35.3 | -37 | 0 | 0 | 0 | 114.2 | | |
| 306 | D | 28.9 | Very low | 34.4 | Very low | 163 Ų | 163 | 153.9 Ų | 153.9 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | | | trans | -124.4 | 163.2 | 167.7 | -163.2 | 13.4 | 0 | 0 | 0 | 111.1 | | |
| 307 | V | 38.2 | Very low | 34 | Very low | 116 Ų | 116 | 151.3 Ų | 151.3 | 70% | 0.703 | 81% | 0.805 | S | S | * | * | | | trans | -114.6 | 128.4 | -148.4 | 166 | 0 | 0 | 0 | 0 | 111.9 | | |
| 308 | V | 35.1 | Very low | 34 | Very low | 140 Ų | 140 | 152 Ų | 152 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | | | trans | 56.7 | 92.9 | 152.8 | -175.8 | 0 | 0 | 0 | 0 | 117.8 | | |
| 309 | D | 29.2 | Very low | 33.2 | Very low | 152 Ų | 152 | 150.6 Ų | 150.6 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | | | trans | -156.6 | 136.4 | 143.4 | -154.1 | 17 | 0 | 0 | 0 | 104.8 | | |
| 310 | V | 33.6 | Very low | 33.5 | Very low | 105 Ų | 105 | 148.2 Ų | 148.2 | 64% | 0.636 | 81% | 0.805 | S | S | * | * | | | cis | -152.3 | 133 | 28.4 | 176.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 311 | M | 33.3 | Very low | 33.5 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | | | trans | -163.2 | 57.5 | 140.6 | -158.1 | 74.3 | 78.6 | 0 | 0 | 111.9 | | |
| 312 | L | 33.3 | Very low | 33.3 | Very low | 144 Ų | 144 | 144 Ų | 144 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | | | trans | -64.7 | 141 | 157.1 | -161.3 | 83.7 | 0 | 0 | 0 | 108.7 | | |
| 313 | K | 28.6 | Very low | 33.4 | Very low | 172 Ų | 172 | 145.6 Ų | 145.6 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | trans | 79.9 | 97.1 | 171 | -51.3 | 170.2 | 178.8 | 170.9 | 0 | 117.4 | | |
| 314 | F | 30.3 | Very low | 33.6 | Very low | 203 Ų | 203 | 147.5 Ų | 147.5 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | | | | -168.5 | 134.9 | 100 | -113.8 | -99.1 | 0 | 0 | 0 | 105.1 | | |
| 315 | K | 32 | Very low | 33.3 | Very low | 194 Ų | 194 | 143.3 Ų | 143.3 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | | -170.1 | 143 | 59.3 | -178.9 | 164.2 | 176.9 | 172.2 | 0 | 110.2 | | |
| 316 | T | 30.2 | Very low | 32.7 | Very low | 145 Ų | 145 | 145.7 Ų | 145.7 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | | | trans | -92.3 | 144.6 | -175.8 | -55.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 317 | G | 28.2 | Very low | 33 | Very low | 72 Ų | 72 | 144.6 Ų | 144.6 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | trans | 93.3 | 138.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 318 | S | 31.9 | Very low | 32.8 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | cis | -160.7 | 146.8 | 4.4 | 61.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 319 | A | 31.4 | Very low | 32.9 | Very low | 85 Ų | 85 | 146.3 Ų | 146.3 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | | | trans | 49.9 | 114.5 | 145.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 320 | K | 43.6 | Very low | 33.2 | Very low | 201 Ų | 201 | 144.7 Ų | 144.7 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | | | | -179.5 | 145.2 | 99 | -92 | 154.3 | -171.7 | 174.6 | 0 | 112.7 | | |
| 321 | K | 35.1 | Very low | 33.1 | Very low | 182 Ų | 182 | 143.3 Ų | 143.3 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | | | trans | 19.9 | 134.8 | 153 | -81.1 | -173.1 | 158.7 | -168.6 | 0 | 121 | | |
| 322 | L | 31.5 | Very low | 33.5 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | | | | 50.3 | 135.4 | 127.4 | -47.9 | 171.6 | 0 | 0 | 0 | 117.3 | | |
| 323 | D | 31.3 | Very low | 33.5 | Very low | 141 Ų | 141 | 138.4 Ų | 138.4 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | | | | -166.6 | 180 | 53.8 | -161.1 | 10.4 | 0 | 0 | 0 | 112.7 | | |
| 324 | L | 34.9 | Very low | 33.7 | Very low | 163 Ų | 163 | 138 Ų | 138 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | trans | -46.5 | 153 | 174.6 | -87.4 | 54.1 | 0 | 0 | 0 | 115.6 | | |
| 325 | G | 32 | Very low | 33.7 | Very low | 83 Ų | 83 | 133.3 Ų | 133.3 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | | | trans | -178.4 | 67.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 326 | E | 34.1 | Very low | 33.6 | Very low | 167 Ų | 167 | 131 Ų | 131 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | | | trans | -85.8 | 148.7 | -172.3 | -106.7 | -169.1 | 163.2 | 0 | 0 | 114.7 | | |
| 327 | H | 34.4 | Very low | 33.7 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 64% | 0.644 | 74% | 0.738 | S | S | * | * | | | trans | 64.8 | 153.1 | 156 | -68.1 | 84.4 | 0 | 0 | 0 | 117.3 | | |
| 328 | D | 34.4 | Very low | 33.8 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 53% | 0.529 | 74% | 0.738 | S | S | . | * | | | cis | -155.8 | 167.9 | 7.6 | -142.6 | -17.4 | 0 | 0 | 0 | 113.7 | | |
| 329 | R | 38.5 | Very low | 33.8 | Very low | 194 Ų | 194 | 137.6 Ų | 137.6 | 73% | 0.732 | 74% | 0.737 | S | S | * | * | | | trans | 27.1 | 149.7 | 141.8 | -93.4 | 172.8 | -84.2 | -106.5 | -9.4 | 122 | | |
| 330 | C | 34.3 | Very low | 33.8 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | | | cis | -166.6 | 157.9 | 6.5 | -168 | 0 | 0 | 0 | 0 | 110.5 | | |
| 331 | G | 32.2 | Very low | 33.1 | Very low | 75 Ų | 75 | 136.7 Ų | 136.7 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | | | trans | 45.1 | 145.8 | 139 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 332 | S | 42.4 | Very low | 32.9 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | | | cis | -162.9 | 142.9 | 29 | -179.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 333 | C | 31.4 | Very low | 32.8 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 72% | 0.723 | 73% | 0.733 | S | S | * | * | | | | 50.5 | 131.1 | 76.8 | -127.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 334 | E | 34.1 | Very low | 32.9 | Very low | 163 Ų | 163 | 128.2 Ų | 128.2 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | | | cis | -143 | 155.1 | 29.6 | -68.6 | 166.9 | 161.3 | 0 | 0 | 110.1 | | |
| 335 | D | 28.9 | Very low | 32.8 | Very low | 106 Ų | 106 | 127.3 Ų | 127.3 | 57% | 0.567 | 73% | 0.73 | S | S | * | * | | | | 77.5 | 154.8 | 53.9 | -156.2 | 27 | 0 | 0 | 0 | 116.2 | R337 | D335-R337 IonicContact OD1-NE 3.67Å; D335-R337 IonicContact OD2-CZ 3.95Å; D335-R337 IonicContact OD2-NE 3.02Å; D335-R337 IonicContact OD2-NH2 3.78Å; D335-R337 PolarHBondContact OD2-NH2 3.39Å |
| 336 | F | 31 | Very low | 32.8 | Very low | 145 Ų | 145 | 128.1 Ų | 128.1 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | | | trans | 92.3 | 106.5 | 179.8 | -64.4 | -91.8 | 0 | 0 | 0 | 116.2 | | |
| 337 | R | 32.8 | Very low | 32.6 | Very low | 178 Ų | 178 | 128.7 Ų | 128.7 | 67% | 0.672 | 73% | 0.731 | S | S | * | * | | | | 75.7 | 143.7 | 59.6 | -72 | -176.7 | -137.6 | -162.3 | 7.7 | 112.9 | D335 | D335-R337 IonicContact OD1-NE 3.67Å; D335-R337 IonicContact OD2-CZ 3.95Å; D335-R337 IonicContact OD2-NE 3.02Å; D335-R337 IonicContact OD2-NH2 3.78Å; D335-R337 PolarHBondContact OD2-NH2 3.39Å |
| 338 | L | 30 | Very low | 32.4 | Very low | 141 Ų | 141 | 127.8 Ų | 127.8 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | | | cis | -177 | 163.7 | -18.9 | -132.8 | 177.5 | 0 | 0 | 0 | 106.7 | | |
| 339 | L | 30.5 | Very low | 32.3 | Very low | 151 Ų | 151 | 132.9 Ų | 132.9 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | trans | 70.6 | 155.2 | 166.3 | -53.8 | 164 | 0 | 0 | 0 | 115.8 | | |
| 340 | S | 33.1 | Very low | 31.8 | Very low | 97 Ų | 97 | 131.8 Ų | 131.8 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | | | cis | -161.4 | 162.4 | -0.8 | -136.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 341 | D | 28.7 | Very low | 31.5 | Very low | 169 Ų | 169 | 132.5 Ų | 132.5 | 90% | 0.904 | 76% | 0.757 | S | S | * | * | | | trans | 55 | 148.1 | 143.4 | -124.8 | 17.4 | 0 | 0 | 0 | 120.7 | | |
| 342 | G | 30.3 | Very low | 31.4 | Very low | 63 Ų | 63 | 133.9 Ų | 133.9 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | | | cis | 157.2 | 119.4 | -4.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 343 | G | 29.5 | Very low | 30.9 | Very low | 78 Ų | 78 | 137.1 Ų | 137.1 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | | | trans | 65.4 | 170.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 344 | D | 33.2 | Very low | 30.8 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | | | cis | -157.2 | 162.9 | -24.5 | -144.4 | -3.5 | 0 | 0 | 0 | 111.2 | | |
| 345 | I | 32.9 | Very low | 30.7 | Very low | 144 Ų | 144 | 136 Ų | 136 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | | | trans | -22.4 | 132.8 | 176 | -58.4 | 146.8 | 0 | 0 | 0 | 119.2 | | |
| 346 | A | 32.9 | Very low | 30.7 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | | | trans | -156.3 | 131.5 | 139.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 347 | Q | 30.1 | Very low | 30.7 | Very low | 179 Ų | 179 | 137 Ų | 137 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | | | trans | -87.9 | 163.6 | 170.2 | -59.7 | 172.4 | 8.1 | 0 | 0 | 110.6 | | |
| 348 | V | 29.3 | Very low | 30.4 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | | | | 156.3 | 138 | 125.9 | 159.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 349 | K | 32.3 | Very low | 30.4 | Very low | 205 Ų | 205 | 136.8 Ų | 136.8 | 89% | 0.891 | 77% | 0.772 | S | S | * | * | | | trans | 91.1 | 149 | 158.6 | -89.7 | 164 | -171 | -176.6 | 0 | 121.6 | | |
| 350 | Q | 28.9 | Very low | 30.3 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | | | trans | -149.2 | 132.2 | -156.6 | 161.3 | -166.3 | 6.7 | 0 | 0 | 106.9 | | |
| 351 | T | 26.4 | Very low | 30.1 | Very low | 134 Ų | 134 | 142 Ų | 142 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | trans | 177.7 | 121.3 | 157.7 | 28.4 | 0 | 0 | 0 | 0 | 105.7 | | |
| 352 | V | 30.8 | Very low | 30.3 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 63% | 0.63 | 77% | 0.774 | S | S | * | * | | | | 86.9 | 126 | 54 | 172.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 353 | E | 31.2 | Very low | 30.8 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | 66.8 | 149.2 | 164.3 | -77.7 | 164.7 | -155.3 | 0 | 0 | 118.9 | | |
| 354 | D | 29.6 | Very low | 30.7 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | cis | -165.5 | 168.7 | -20.6 | -159 | 1.1 | 0 | 0 | 0 | 109.3 | | |
| 355 | T | 32.7 | Very low | 30.6 | Very low | 114 Ų | 114 | 146 Ų | 146 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | | | trans | 57.4 | 160 | 163.7 | 59.7 | 0 | 0 | 0 | 0 | 118.5 | | |
| 356 | D | 29.5 | Very low | 30.6 | Very low | 133 Ų | 133 | 148 Ų | 148 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | cis | -162.7 | 169.9 | 17.7 | -144.8 | -14.5 | 0 | 0 | 0 | 114.2 | | |
| 357 | I | 30.9 | Very low | 30.4 | Very low | 138 Ų | 138 | 152.8 Ų | 152.8 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | | | trans | 74.6 | 126.2 | 153.8 | -64.5 | 154.4 | 0 | 0 | 0 | 121.8 | | |
| 358 | C | 26.5 | Very low | 30.5 | Very low | 122 Ų | 122 | 148.3 Ų | 148.3 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | | | trans | -96.9 | 155 | 170.7 | -55.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 359 | K | 29.5 | Very low | 30.5 | Very low | 192 Ų | 192 | 149.6 Ų | 149.6 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | trans | -148.4 | 121 | 148.7 | -68 | -164.2 | 179.3 | -178 | 0 | 108.3 | | |
| 360 | E | 29 | Very low | 30.6 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | | | | 60.2 | 103.7 | 82.4 | -85.1 | -75.1 | 169.8 | 0 | 0 | 113.2 | | |
| 361 | E | 27.3 | Very low | 30.9 | Very low | 186 Ų | 186 | 142.5 Ų | 142.5 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | | | | -179.2 | 132 | 123.7 | -100 | 176.1 | -169.2 | 0 | 0 | 111.7 | | |
| 362 | T | 33.6 | Very low | 31.1 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | trans | -104.1 | 158.7 | 157.9 | 53.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 363 | P | 41.7 | Very low | 31.2 | Very low | 123 Ų | 123 | 145 Ų | 145 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | | | | -147.7 | 164.1 | 107.4 | 36.2 | -20 | 0 | 0 | 0 | 116.7 | | |
| 364 | N | 26.6 | Very low | 31.1 | Very low | 136 Ų | 136 | 142.4 Ų | 142.4 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | -55 | 162.9 | 172.3 | -41.2 | -55.7 | 0 | 0 | 0 | 114.4 | | |
| 365 | N | 30.3 | Very low | 31.1 | Very low | 160 Ų | 160 | 146.1 Ų | 146.1 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | | | | -170.8 | 153 | 109.1 | -90.5 | -15.2 | 0 | 0 | 0 | 113.2 | | |
| 366 | E | 32.6 | Very low | 30.8 | Very low | 186 Ų | 186 | 148 Ų | 148 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | | | trans | -80.3 | 158.1 | 174.7 | -50 | 173 | 136.5 | 0 | 0 | 111.1 | | |
| 367 | E | 29.9 | Very low | 30.7 | Very low | 201 Ų | 201 | 148.1 Ų | 148.1 | 94% | 0.939 | 78% | 0.779 | S | S | * | * | | | | -165.9 | 163.2 | 122.1 | -137.7 | 158.7 | 179 | 0 | 0 | 112.3 | | |
| 368 | A | 32.2 | Very low | 30.6 | Very low | 85 Ų | 85 | 151.8 Ų | 151.8 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | | | trans | -100.1 | 166.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 369 | D | 29.7 | Very low | 30.7 | Very low | 148 Ų | 148 | 151.6 Ų | 151.6 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | | 170.7 | 172.8 | 95.5 | -133.8 | -29.9 | 0 | 0 | 0 | 114.4 | | |
| 370 | N | 32.7 | Very low | 30.5 | Very low | 143 Ų | 143 | 151.8 Ų | 151.8 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | | | trans | -55 | 154.2 | -167.1 | -93.5 | -77.9 | 0 | 0 | 0 | 123.9 | | |
| 371 | A | 35.9 | Very low | 30.7 | Very low | 83 Ų | 83 | 155 Ų | 155 | 69% | 0.686 | 79% | 0.793 | S | S | * | * | | | | 94.9 | 145 | 125.8 | 0 | 0 | 0 | 0 | 0 | 125.6 | | |
| 372 | D | 30.8 | Very low | 30.6 | Very low | 152 Ų | 152 | 153.2 Ų | 153.2 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | | | trans | 73 | 81.2 | 151.4 | -66.4 | -16.2 | 0 | 0 | 0 | 123.9 | | |
| 373 | N | 32.9 | Very low | 30.4 | Very low | 140 Ų | 140 | 152.3 Ų | 152.3 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | | | | 34.6 | 119.6 | 106.7 | -155.2 | -1.4 | 0 | 0 | 0 | 120.2 | | |
| 374 | V | 29.8 | Very low | 29.9 | Very low | 120 Ų | 120 | 153.7 Ų | 153.7 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | | 179.7 | 120.8 | 122 | 148.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 375 | R | 29.6 | Very low | 29.9 | Very low | 212 Ų | 212 | 155.6 Ų | 155.6 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | | | trans | 29.5 | 135.1 | 141.8 | -41.7 | 169.9 | 79.3 | 169.7 | 3.2 | 118.4 | | |
| 376 | Q | 26.5 | Very low | 29.8 | Very low | 152 Ų | 152 | 152.1 Ų | 152.1 | 71% | 0.71 | 79% | 0.786 | S | S | * | * | | | | -176.6 | 136.5 | 61.3 | -179.8 | 158.3 | -23.2 | 0 | 0 | 113.7 | | |
| 377 | E | 27.7 | Very low | 29.5 | Very low | 137 Ų | 137 | 148 Ų | 148 | 64% | 0.64 | 78% | 0.778 | S | S | * | * | | | trans | 51.6 | 117 | 142.3 | -158.1 | 168.7 | -148.7 | 0 | 0 | 121.5 | | |
| 378 | Y | 27.4 | Very low | 29.5 | Very low | 215 Ų | 215 | 146.3 Ų | 146.3 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | | | | -167.5 | 155.6 | 104.7 | -116.8 | -92.9 | 0 | 0 | 0 | 110.8 | | |
| 379 | C | 28.4 | Very low | 29.3 | Very low | 118 Ų | 118 | 146.9 Ų | 146.9 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | trans | -81.9 | 145.1 | 176.1 | -65.1 | 0 | 0 | 0 | 0 | 112 | | |
| 380 | E | 27.1 | Very low | 29.6 | Very low | 195 Ų | 195 | 150 Ų | 150 | 91% | 0.911 | 77% | 0.774 | S | S | * | * | | | | -163.7 | 166.3 | 126.5 | -114.6 | 173.9 | -159.7 | 0 | 0 | 113.5 | | |
| 381 | R | 32.2 | Very low | 29.6 | Very low | 242 Ų | 242 | 149.5 Ų | 149.5 | 91% | 0.913 | 77% | 0.767 | S | S | * | * | | | trans | -71.8 | 139.7 | -179.9 | -71.5 | 170.4 | 157.1 | 122.6 | -9.4 | 111.4 | | |
| 382 | T | 25.9 | Very low | 29.5 | Very low | 148 Ų | 148 | 151.3 Ų | 151.3 | 91% | 0.908 | 77% | 0.77 | S | S | * | * | | | trans | -139.3 | 157 | 149.6 | 38.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 383 | S | 28.1 | Very low | 29.3 | Very low | 103 Ų | 103 | 150.6 Ų | 150.6 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | | | trans | -115 | 163.7 | 173.4 | -161.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 384 | L | 32.5 | Very low | 29.5 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | | | trans | 75.9 | 153.7 | 164.5 | -59.1 | 172 | 0 | 0 | 0 | 119.5 | | |
| 385 | E | 26.9 | Very low | 29.4 | Very low | 177 Ų | 177 | 154.5 Ų | 154.5 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | | | trans | 72.3 | 148.6 | 157.2 | -80.9 | -172.8 | 114 | 0 | 0 | 118.7 | | |
| 386 | S | 27.2 | Very low | 29.5 | Very low | 87 Ų | 87 | 149.7 Ų | 149.7 | 61% | 0.608 | 77% | 0.774 | S | S | * | * | | | cis | -163 | 175.3 | -9.6 | -135.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 387 | S | 26.1 | Very low | 29.9 | Very low | 99 Ų | 99 | 150.3 Ų | 150.3 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | | | trans | 59.6 | 131.5 | 144.4 | -62.4 | 0 | 0 | 0 | 0 | 123.4 | | |
| 388 | L | 29.4 | Very low | 30 | Very low | 166 Ų | 166 | 149.1 Ų | 149.1 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | | | | 173 | 110 | 122.9 | -89.5 | 152.7 | 0 | 0 | 0 | 106.2 | | |
| 389 | S | 29.3 | Very low | 30.1 | Very low | 97 Ų | 97 | 147.1 Ų | 147.1 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | | | | 100.2 | 117.6 | 55.6 | -83.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 390 | R | 34.9 | Very low | 30.2 | Very low | 212 Ų | 212 | 149.4 Ų | 149.4 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | | | trans | 58.3 | 151.1 | 147.3 | -92.5 | 176.3 | 173.4 | -125.9 | 2.9 | 118.5 | | |
| 391 | E | 32.6 | Very low | 30.2 | Very low | 134 Ų | 134 | 144.2 Ų | 144.2 | 63% | 0.626 | 78% | 0.776 | S | S | * | * | | | cis | -151 | 172.2 | -2.5 | -156 | 143.5 | -175.6 | 0 | 0 | 110.4 | | |
| 392 | T | 34.6 | Very low | 29.8 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | | | trans | -84.4 | 161.1 | -173.2 | 48 | 0 | 0 | 0 | 0 | 114.9 | | |
| 393 | V | 27.1 | Very low | 29.8 | Very low | 138 Ų | 138 | 138.9 Ų | 138.9 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | | | | -177.9 | 158.4 | 114.1 | 152.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 394 | I | 36.5 | Very low | 29.6 | Very low | 151 Ų | 151 | 146 Ų | 146 | 77% | 0.774 | 78% | 0.775 | S | S | * | * | | | trans | -112.9 | 143.3 | -169.8 | -57.1 | 159.9 | 0 | 0 | 0 | 109.1 | | |
| 395 | E | 27.6 | Very low | 29.6 | Very low | 191 Ų | 191 | 143.6 Ų | 143.6 | 89% | 0.893 | 77% | 0.771 | S | S | * | * | | | trans | -151.9 | 136.9 | 148.9 | -132 | 172 | -173 | 0 | 0 | 114.1 | | |
| 396 | T | 31.3 | Very low | 29.5 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | | | trans | -87.4 | 159.9 | 163.7 | 44.3 | 0 | 0 | 0 | 0 | 108 | | |
| 397 | E | 35.4 | Very low | 29.7 | Very low | 166 Ų | 166 | 145.9 Ų | 145.9 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | cis | -174 | 166.1 | 44.2 | -147.8 | 164.8 | -133.1 | 0 | 0 | 110.6 | | |
| 398 | T | 29.9 | Very low | 29.7 | Very low | 111 Ų | 111 | 147.2 Ų | 147.2 | 68% | 0.681 | 78% | 0.776 | S | S | * | * | | | trans | 6.1 | 134.1 | 161.6 | 53.7 | 0 | 0 | 0 | 0 | 122.7 | | |
| 399 | L | 30 | Very low | 29.6 | Very low | 173 Ų | 173 | 144.1 Ų | 144.1 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | | | | 179.4 | 154.4 | 99.4 | -93.5 | 177.3 | 0 | 0 | 0 | 114.2 | | |
| 400 | L | 29 | Very low | 29.5 | Very low | 167 Ų | 167 | 144.8 Ų | 144.8 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | | | trans | -94.9 | 141.3 | 175.1 | -89.6 | 156.9 | 0 | 0 | 0 | 111.7 | | |
| 401 | A | 27.1 | Very low | 29.2 | Very low | 85 Ų | 85 | 141.4 Ų | 141.4 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | | | | 140 | 145.5 | 116.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 402 | T | 24.5 | Very low | 29.1 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | | | trans | 91.5 | 98.6 | 147.3 | -40.3 | 0 | 0 | 0 | 0 | 121.1 | | |
| 403 | N | 26.8 | Very low | 28.9 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -3 | 141.9 | 140.3 | -57.5 | -55.6 | 0 | 0 | 0 | 119.9 | | |
| 404 | R | 24 | Very low | 29 | Very low | 251 Ų | 251 | 147 Ų | 147 | 95% | 0.947 | 78% | 0.775 | S | S | * | * | | | | -168.9 | 162.1 | 99.8 | -143.5 | 167.3 | -179.9 | 173.5 | -2.1 | 112.9 | | |
| 405 | S | 30.6 | Very low | 28.7 | Very low | 101 Ų | 101 | 146.8 Ų | 146.8 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | trans | -113.6 | 152.9 | -175.2 | 169.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 406 | E | 26.1 | Very low | 28.9 | Very low | 172 Ų | 172 | 142.8 Ų | 142.8 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | -166 | 117.5 | 150.2 | -106.3 | 161.4 | -175.6 | 0 | 0 | 108.9 | | |
| 407 | L | 31.5 | Very low | 28.9 | Very low | 140 Ų | 140 | 149.3 Ų | 149.3 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | | | | 69.9 | 142 | 101.5 | -64.7 | -174 | 0 | 0 | 0 | 114.5 | | |
| 408 | D | 25.5 | Very low | 28.9 | Very low | 127 Ų | 127 | 147.4 Ų | 147.4 | 68% | 0.679 | 78% | 0.777 | S | S | * | * | | | cis | -163.6 | -178.3 | 17.7 | -141.6 | -27.5 | 0 | 0 | 0 | 114.4 | | |
| 409 | S | 27.1 | Very low | 29.3 | Very low | 102 Ų | 102 | 148 Ų | 148 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | | | trans | 83.8 | 112.2 | 163.8 | -60.9 | 0 | 0 | 0 | 0 | 119.4 | | |
| 410 | C | 28 | Very low | 29.2 | Very low | 110 Ų | 110 | 144 Ų | 144 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | | | | 88.3 | 134.7 | 56.6 | -75.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 411 | L | 28.5 | Very low | 29.3 | Very low | 141 Ų | 141 | 140.7 Ų | 140.7 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | | | cis | -165.9 | 176.5 | -6.9 | -155.9 | 115.8 | 0 | 0 | 0 | 110.2 | | |
| 412 | T | 29.8 | Very low | 29.5 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | 85.4 | 139 | 168.3 | 72.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 413 | Q | 30.3 | Very low | 30 | Very low | 151 Ų | 151 | 146.8 Ų | 146.8 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | | | cis | -165.5 | 123.7 | -28.1 | -168.5 | 176.2 | 50.2 | 0 | 0 | 110.2 | | |
| 414 | R | 30.7 | Very low | 30.3 | Very low | 237 Ų | 237 | 144.5 Ų | 144.5 | 89% | 0.894 | 78% | 0.778 | S | S | * | * | | | trans | 171.2 | 125.6 | 130.3 | -93.5 | -179.2 | -156.6 | 108 | 2.8 | 112 | | |
| 415 | D | 29.4 | Very low | 30.7 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | | | trans | -81.3 | 172.9 | -174.6 | -77.6 | -74.2 | 0 | 0 | 0 | 115.5 | | |
| 416 | T | 30.8 | Very low | 30.8 | Very low | 107 Ų | 107 | 146 Ų | 146 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | | | cis | -179.7 | 132.7 | -31.5 | -87.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 417 | R | 32.2 | Very low | 31.4 | Very low | 248 Ų | 248 | 145.3 Ų | 145.3 | 94% | 0.936 | 78% | 0.783 | S | S | * | * | | | trans | -169.7 | 103 | 140.6 | -114.6 | 178.6 | -178.6 | 168.3 | 1.5 | 112.3 | | |
| 418 | T | 34.4 | Very low | 32 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -106.4 | -175.7 | 162 | 2.6 | 0 | 0 | 0 | 0 | 108 | | |
| 419 | P | 39.6 | Very low | 32.2 | Very low | 122 Ų | 122 | 145 Ų | 145 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | | | cis | -121.4 | -170.6 | 14.9 | 43.6 | -25.8 | 0 | 0 | 0 | 112.2 | | |
| 420 | A | 27.7 | Very low | 32.6 | Very low | 90 Ų | 90 | 145.7 Ų | 145.7 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | | | cis | -149.2 | 153 | 11.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 421 | A | 30.2 | Very low | 33 | Very low | 97 Ų | 97 | 145.8 Ų | 145.8 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | | | trans | -88.7 | 130 | 168 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 422 | K | 32.4 | Very low | 33.4 | Very low | 205 Ų | 205 | 146.7 Ų | 146.7 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | | | trans | -103.7 | 114.8 | 155.8 | -80.8 | -175.6 | 176.7 | 177.4 | 0 | 107.6 | S424 | K422-S424 PolarHBondContact O-N 3.35Š|
| 423 | V | 33.8 | Very low | 33.7 | Very low | 135 Ų | 135 | 146.1 Ų | 146.1 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 126.1 | 169.8 | 174.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 424 | S | 33 | Very low | 34 | Very low | 105 Ų | 105 | 147.1 Ų | 147.1 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 140.7 | 174 | -59.2 | 0 | 0 | 0 | 0 | 110.3 | K422 | K422-S424 PolarHBondContact O-N 3.35Š|
| 425 | Y | 33.9 | Very low | 34.2 | Very low | 227 Ų | 227 | 145.1 Ų | 145.1 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 133.7 | 165.7 | -77.4 | -90.8 | 0 | 0 | 0 | 109.6 | L427 | Y425-L427 PolarHBondContact O-N 3.35Š|
| 426 | D | 31.1 | Very low | 34.5 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 116.9 | 177 | -81 | -48 | 0 | 0 | 0 | 111.6 | I428 | D426-I428 PolarHBondContact O-N 3Š|
| 427 | L | 39.5 | Very low | 34.7 | Very low | 157 Ų | 157 | 146.9 Ų | 146.9 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | -76.9 | 98.6 | 167.4 | -68.9 | 169.9 | 0 | 0 | 0 | 108.8 | Y425 C429 | Y425-L427 PolarHBondContact O-N 3.35Å; L427-C429 PolarHBondContact O-N 3.44Å |
| 428 | I | 43.3 | Very low | 35 | Very low | 165 Ų | 165 | 144 Ų | 144 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | trans | -73.5 | 70.4 | 164.5 | -53.3 | 178.8 | 0 | 0 | 0 | 108.7 | D426 | D426-I428 PolarHBondContact O-N 3Š|
| 429 | C | 30.9 | Very low | 34.7 | Very low | 96 Ų | 96 | 140.7 Ų | 140.7 | 65% | 0.649 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -150.5 | 107.3 | 169.6 | -86.1 | 0 | 0 | 0 | 0 | 106.2 | L427 P431 | L427-C429 PolarHBondContact O-N 3.44Å; C429-P431 WeakPolarHBondContact O-CD 3.5Å |
| 430 | P | 35.8 | Very low | 34.2 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | | | trans | -62.5 | 125.9 | 179 | 25.3 | -32.6 | 0 | 0 | 0 | 109.2 | I432 | P430-I432 PolarHBondContact O-N 2.87Å; P430-I432 VanDerWaalsContact O-N 3.09Å |
| 431 | P | 36.3 | Very low | 34.4 | Very low | 111 Ų | 111 | 145 Ų | 145 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | | | trans | -66.7 | 113.9 | 174.4 | 26.9 | -32.4 | 0 | 0 | 0 | 108.3 | C429 V433 | C429-P431 WeakPolarHBondContact O-CD 3.5Å; P431-V433 VanDerWaalsContact C-N 3.25Å; P431-V433 PolarHBondContact O-N 3.01Å |
| 432 | I | 37.1 | Very low | 34.5 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | | | trans | -69.6 | 93.1 | 167.3 | -61.4 | 175.4 | 0 | 0 | 0 | 106.3 | P430 E434 | P430-I432 PolarHBondContact O-N 2.87Å; P430-I432 VanDerWaalsContact O-N 3.09Å; I432-E434 VanDerWaalsContact C-N 3.35Å; I432-E434 PolarHBondContact O-N 2.81Å |
| 433 | V | 35.1 | Very low | 34.2 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 66% | 0.661 | 77% | 0.77 | S | S | * | * | | | trans | -66.5 | 99.1 | 168.8 | 176.9 | 0 | 0 | 0 | 0 | 107 | P431 R435 | P431-V433 VanDerWaalsContact C-N 3.25Å; P431-V433 PolarHBondContact O-N 3.01Å; V433-R435 HydrophobicContact CG1-CG 4.18Å; V433-R435 PolarHBondContact O-N 2.97Å |
| 434 | E | 35.9 | Very low | 34.2 | Very low | 172 Ų | 172 | 142.9 Ų | 142.9 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | -67 | 84 | 173.1 | -171.5 | 169.2 | -151.8 | 0 | 0 | 109.1 | I432 V436 | I432-E434 VanDerWaalsContact C-N 3.35Å; I432-E434 PolarHBondContact O-N 2.81Å; E434-V436 PolarHBondContact O-N 2.88Å |
| 435 | R | 35.7 | Very low | 34 | Very low | 195 Ų | 195 | 144.5 Ų | 144.5 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | | | trans | -67.1 | 104.4 | 168.4 | -66.8 | -169.6 | -160 | 152 | 6.2 | 107.8 | V433 H437 | V433-R435 HydrophobicContact CG1-CG 4.18Å; V433-R435 PolarHBondContact O-N 2.97Å; R435-H437 VanDerWaalsContact C-N 3.34Å; R435-H437 PolarHBondContact O-N 3.09Å; R435-H437 PolarHBondContact O-ND1 3.18Å |
| 436 | V | 35.5 | Very low | 33.9 | Very low | 129 Ų | 129 | 141 Ų | 141 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | | | trans | -52.1 | 99.5 | 164 | 177.7 | 0 | 0 | 0 | 0 | 108.1 | E434 Q438 | E434-V436 PolarHBondContact O-N 2.88Å; V436-Q438 PolarHBondContact O-N 2.8Å |
| 437 | H | 34.4 | Very low | 34 | Very low | 162 Ų | 162 | 139.3 Ų | 139.3 | 75% | 0.75 | 75% | 0.751 | S | S | * | * | | | trans | -74.6 | 97.4 | 166.9 | -77.5 | 77.2 | 0 | 0 | 0 | 106.7 | R435 A439 | R435-H437 VanDerWaalsContact C-N 3.34Å; R435-H437 PolarHBondContact O-N 3.09Å; R435-H437 PolarHBondContact O-ND1 3.18Å; H437-A439 PolarHBondContact O-N 2.97Å |
| 438 | Q | 39 | Very low | 33.5 | Very low | 186 Ų | 186 | 143 Ų | 143 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | | | trans | -71.3 | 70.4 | 169.4 | -166.9 | 175.8 | 27.1 | 0 | 0 | 109.4 | V436 S440 | V436-Q438 PolarHBondContact O-N 2.8Å; Q438-S440 PolarHBondContact O-N 2.95Å |
| 439 | A | 28.1 | Very low | 32.8 | Very low | 58 Ų | 58 | 143.2 Ų | 143.2 | 48% | 0.479 | 75% | 0.749 | S | S | . | * | | | trans | -85.4 | 105 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109 | H437 F441 | H437-A439 PolarHBondContact O-N 2.97Å; A439-F441 HydrophobicContact CB-CD2 3.96Å; A439-F441 HydrophobicContact CB-CE2 3.53Å; A439-F441 HydrophobicContact CB-CZ 4.32Å; A439-F441 WeakPolarHBondContact O-CD2 3.38Å; A439-F441 PolarHBondContact O-N 2.84Å |
| 440 | S | 30.3 | Very low | 32.9 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | | | trans | -72.7 | 85.6 | 175.1 | 41 | 0 | 0 | 0 | 0 | 111.1 | Q438 C442 | Q438-S440 PolarHBondContact O-N 2.95Å; S440-C442 PolarHBondContact O-N 3.21Å |
| 441 | F | 31.3 | Very low | 32.6 | Very low | 181 Ų | 181 | 149.4 Ų | 149.4 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | | | trans | -74.9 | 94.7 | 173.7 | -76.7 | -77.3 | 0 | 0 | 0 | 111.6 | A439 C443 | A439-F441 HydrophobicContact CB-CD2 3.96Å; A439-F441 HydrophobicContact CB-CE2 3.53Å; A439-F441 HydrophobicContact CB-CZ 4.32Å; A439-F441 WeakPolarHBondContact O-CD2 3.38Å; A439-F441 PolarHBondContact O-N 2.84Å; F441-C443 PolarHBondContact O-N 3.23Å |
| 442 | C | 31.4 | Very low | 32.4 | Very low | 114 Ų | 114 | 152 Ų | 152 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | trans | -75 | 104.8 | 163.7 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | S440 Q444 | S440-C442 PolarHBondContact O-N 3.21Å; C442-Q444 PolarHBondContact O-N 3.02Å; C442-Q444 VanDerWaalsContact O-N 3.1Å |
| 443 | C | 27.4 | Very low | 32 | Very low | 115 Ų | 115 | 150 Ų | 150 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | | | trans | -72.6 | 98.9 | 174.1 | -66.1 | 0 | 0 | 0 | 0 | 110.6 | F441 N445 | F441-C443 PolarHBondContact O-N 3.23Å; C443-N445 PolarHBondContact O-N 3.43Å; C443-N445 VanDerWaalsContact O-N 3.1Å |
| 444 | Q | 32 | Very low | 31.7 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | | | trans | -67.9 | 106.6 | 167 | -80 | -168.8 | -3.6 | 0 | 0 | 110.2 | C442 Q446 | C442-Q444 PolarHBondContact O-N 3.02Å; C442-Q444 VanDerWaalsContact O-N 3.1Å; Q444-Q446 PolarHBondContact O-N 3.34Å; Q444-Q446 VanDerWaalsContact O-N 3.09Å |
| 445 | N | 29.9 | Very low | 31.5 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | | | trans | -77.9 | 90.7 | 179.8 | -165 | 5.4 | 0 | 0 | 0 | 110.9 | C443 N447 | C443-N445 PolarHBondContact O-N 3.43Å; C443-N445 VanDerWaalsContact O-N 3.1Å; N445-N447 PolarHBondContact O-N 3.5Å |
| 446 | Q | 31.3 | Very low | 31.3 | Very low | 153 Ų | 153 | 145.1 Ų | 145.1 | 72% | 0.715 | 78% | 0.775 | S | S | * | * | | | trans | -91.7 | 91.8 | 172 | -71.2 | -165.9 | 19.1 | 0 | 0 | 111.3 | Q444 R448 | Q444-Q446 PolarHBondContact O-N 3.34Å; Q444-Q446 VanDerWaalsContact O-N 3.09Å; Q446-R448 PolarHBondContact O-N 3.22Å; Q446-R448 VanDerWaalsContact O-N 3.12Å |
| 447 | N | 33.4 | Very low | 31.1 | Very low | 123 Ų | 123 | 144.8 Ų | 144.8 | 66% | 0.658 | 78% | 0.779 | S | S | * | * | | | trans | -59.3 | 110.6 | 165.8 | -87.5 | -29.5 | 0 | 0 | 0 | 110.8 | N445 | N445-N447 PolarHBondContact O-N 3.5Š|
| 448 | R | 29.1 | Very low | 31 | Very low | 234 Ų | 234 | 146.6 Ų | 146.6 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | | | trans | -116.6 | 88.5 | 160.4 | -92.9 | -172.4 | 138.2 | 145.6 | -2.8 | 110.3 | Q446 L450 | Q446-R448 PolarHBondContact O-N 3.22Å; Q446-R448 VanDerWaalsContact O-N 3.12Å; R448-L450 PolarHBondContact O-N 3.32Å |
| 449 | F | 29.4 | Very low | 30.7 | Very low | 170 Ų | 170 | 145.9 Ų | 145.9 | 75% | 0.746 | 78% | 0.781 | S | S | * | * | | | trans | -62.2 | 127.7 | 164.1 | -85.2 | -101.1 | 0 | 0 | 0 | 109.9 | | |
| 450 | L | 33.3 | Very low | 31 | Very low | 168 Ų | 168 | 154.3 Ų | 154.3 | 88% | 0.88 | 80% | 0.801 | S | S | * | * | | | trans | -96.1 | 108.2 | 162.5 | -76.4 | 171.6 | 0 | 0 | 0 | 108.5 | R448 | R448-L450 PolarHBondContact O-N 3.32Š|
| 451 | H | 28.3 | Very low | 31.3 | Very low | 173 Ų | 173 | 155.6 Ų | 155.6 | 80% | 0.801 | 80% | 0.803 | S | S | * | * | | | trans | -71.5 | 131.4 | 167.8 | -92.2 | -97.1 | 0 | 0 | 0 | 110.1 | | |
| 452 | I | 31.6 | Very low | 31.3 | Very low | 165 Ų | 165 | 155 Ų | 155 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | | | trans | -108.7 | 127.2 | 159.5 | -62.8 | 179.4 | 0 | 0 | 0 | 107.1 | | |
| 453 | S | 30.4 | Very low | 31.2 | Very low | 121 Ų | 121 | 152.6 Ų | 152.6 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | | | trans | -78.3 | 136.3 | -172 | -51.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 454 | G | 28.1 | Very low | 31.5 | Very low | 70 Ų | 70 | 153.3 Ų | 153.3 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | | | trans | -143.6 | 89 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 455 | T | 32.6 | Very low | 31.5 | Very low | 139 Ų | 139 | 149.3 Ų | 149.3 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | | | trans | 16.9 | 108.7 | 159.6 | 55 | 0 | 0 | 0 | 0 | 120.5 | | |
| 456 | E | 30.7 | Very low | 31.6 | Very low | 163 Ų | 163 | 148.5 Ų | 148.5 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | | | trans | 22.7 | 120 | 132.5 | -131.4 | -179.8 | 159.7 | 0 | 0 | 120.8 | | |
| 457 | S | 31.6 | Very low | 32.1 | Very low | 122 Ų | 122 | 146.5 Ų | 146.5 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | | | | -151.9 | 146.4 | 129.9 | -170 | 0 | 0 | 0 | 0 | 109.7 | | |
| 458 | R | 31.9 | Very low | 31.9 | Very low | 200 Ų | 200 | 148.1 Ų | 148.1 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | | | trans | -110.6 | 136 | -174 | -64.7 | 156 | 79.1 | 152.1 | 0.2 | 109.2 | | |
| 459 | D | 32.7 | Very low | 31.9 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 91% | 0.914 | 82% | 0.818 | S | S | * | * | | | trans | -158.6 | 157.6 | 132.9 | -109.3 | -29.2 | 0 | 0 | 0 | 112.2 | | |
| 460 | R | 35.3 | Very low | 32 | Very low | 235 Ų | 235 | 142.7 Ų | 142.7 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | | | trans | -116.5 | 148.5 | -171.6 | -69 | 178.1 | 161.1 | -159.8 | -5.3 | 111.6 | | |
| 461 | V | 35.1 | Very low | 31.9 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 90% | 0.903 | 82% | 0.823 | S | S | * | * | | | trans | -157 | 147.5 | 136.8 | 152.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 462 | D | 32.8 | Very low | 32.3 | Very low | 167 Ų | 167 | 140.3 Ų | 140.3 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | | | trans | -74.5 | 168.3 | -177.1 | -91.9 | -58.4 | 0 | 0 | 0 | 116 | | |
| 463 | G | 29.3 | Very low | 32.4 | Very low | 65 Ų | 65 | 143.9 Ų | 143.9 | 67% | 0.67 | 82% | 0.822 | S | S | * | * | | | trans | 168.9 | 41.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 464 | S | 32.8 | Very low | 32.5 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | | | trans | 34.2 | 127.7 | 153.4 | 63.6 | 0 | 0 | 0 | 0 | 122.9 | | |
| 465 | G | 31.3 | Very low | 33 | Very low | 79 Ų | 79 | 147.5 Ų | 147.5 | 81% | 0.814 | 83% | 0.825 | S | S | * | * | | | trans | 154.2 | 99 | 153.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 466 | S | 33.4 | Very low | 33.1 | Very low | 122 Ų | 122 | 146.5 Ų | 146.5 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | | | trans | -89.2 | -178.1 | -178.3 | -42.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 467 | P | 41.4 | Very low | 33.4 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | | | | -119.6 | -176.4 | -105 | 35.8 | -17 | 0 | 0 | 0 | 113.3 | | |
| 468 | L | 28.3 | Very low | 33.6 | Very low | 156 Ų | 156 | 144.1 Ų | 144.1 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | | | | 171.2 | 138.3 | 124.1 | -90.7 | 167.6 | 0 | 0 | 0 | 113.5 | | |
| 469 | V | 28.7 | Very low | 33.7 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | | | trans | 53 | 101.3 | 157.1 | -170.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 470 | L | 31.9 | Very low | 33.9 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | | | trans | -129.9 | 124.8 | 146.8 | -74.6 | 173.3 | 0 | 0 | 0 | 108.1 | | |
| 471 | E | 32.7 | Very low | 34 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | | | trans | -70.1 | 137.4 | 171.2 | -72.3 | -162.2 | 135.6 | 0 | 0 | 110.8 | R473 | E471-R473 PolarHBondContact O-N 3.5Š|
| 472 | P | 35.3 | Very low | 34.1 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | trans | -70.1 | 124.1 | 169.3 | -15 | 30.2 | 0 | 0 | 0 | 110.6 | D474 | P472-D474 PolarHBondContact O-N 2.86Š|
| 473 | R | 33.3 | Very low | 34.2 | Very low | 239 Ų | 239 | 130.6 Ų | 130.6 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | | | trans | -76.4 | 102.6 | 164 | -72.4 | -176 | 174.7 | -138.3 | 0.1 | 109.4 | E471 S475 | E471-R473 PolarHBondContact O-N 3.5Å; R473-S475 VanDerWaalsContact C-N 3.33Å; R473-S475 PolarHBondContact O-N 3.46Å |
| 474 | D | 33.9 | Very low | 34.6 | Very low | 153 Ų | 153 | 133.7 Ų | 133.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -73.5 | 88.9 | 165.6 | -76.1 | -30.8 | 0 | 0 | 0 | 109.9 | P472 N476 | P472-D474 PolarHBondContact O-N 2.86Å; D474-N476 PolarHBondContact O-N 2.86Å |
| 475 | S | 38.9 | Very low | 34.5 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | -75.8 | 69.1 | 175.5 | 60.8 | 0 | 0 | 0 | 0 | 111.4 | R473 A477 | R473-S475 VanDerWaalsContact C-N 3.33Å; R473-S475 PolarHBondContact O-N 3.46Å; S475-A477 PolarHBondContact O-N 3.3Å |
| 476 | N | 34.5 | Very low | 35.5 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 63% | 0.626 | 78% | 0.78 | S | S | * | * | | | trans | -77.6 | 98 | 169.7 | -159.7 | 34.3 | 0 | 0 | 0 | 109.3 | D474 H478 | D474-N476 PolarHBondContact O-N 2.86Å; N476-H478 VanDerWaalsContact C-N 3.3Å; N476-H478 PolarHBondContact ND2-CE1 2.92Å; N476-H478 PolarHBondContact ND2-NE2 3.29Å; N476-H478 PolarHBondContact O-CD2 3.36Å; N476-H478 PolarHBondContact O-N 2.84Å |
| 477 | A | 36.7 | Very low | 35.6 | Very low | 88 Ų | 88 | 139 Ų | 139 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | -71.7 | 82.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S475 C479 | S475-A477 PolarHBondContact O-N 3.3Å; A477-C479 PolarHBondContact O-N 3.12Å; A477-C479 VanDerWaalsContact O-N 3.11Å |
| 478 | H | 35.8 | Very low | 35.1 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | | | trans | -68.8 | 101.7 | 167.7 | -70.7 | -85.4 | 0 | 0 | 0 | 109.5 | N476 C480 | N476-H478 VanDerWaalsContact C-N 3.3Å; N476-H478 PolarHBondContact ND2-CE1 2.92Å; N476-H478 PolarHBondContact ND2-NE2 3.29Å; N476-H478 PolarHBondContact O-CD2 3.36Å; N476-H478 PolarHBondContact O-N 2.84Å; H478-C480 VanDerWaalsContact C-N 3.26Å; H478-C480 PolarHBondContact O-N 3.35Å |
| 479 | C | 33.9 | Very low | 35.3 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | -70.8 | 81.8 | 168.8 | -64.8 | 0 | 0 | 0 | 0 | 110.3 | A477 | A477-C479 PolarHBondContact O-N 3.12Å; A477-C479 VanDerWaalsContact O-N 3.11Å |
| 480 | C | 36 | Very low | 35.3 | Very low | 105 Ų | 105 | 144 Ų | 144 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | | | trans | -78.7 | 118 | 167.7 | 43.1 | 0 | 0 | 0 | 0 | 110 | H478 T482 | H478-C480 VanDerWaalsContact C-N 3.26Å; H478-C480 PolarHBondContact O-N 3.35Å; C480-T482 PolarHBondContact O-N 3.39Å |
| 481 | I | 38.7 | Very low | 35.2 | Very low | 153 Ų | 153 | 139.9 Ų | 139.9 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | trans | -86.8 | 101.9 | 166.8 | -60 | 175.5 | 0 | 0 | 0 | 106.7 | V483 | I481-V483 HydrophobicContact CG2-CG2 4.26Å; I481-V483 PolarHBondContact O-N 3.26Å |
| 482 | T | 36.1 | Very low | 35 | Very low | 126 Ų | 126 | 137.5 Ų | 137.5 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | -78 | 104.5 | 167.7 | 23.2 | 0 | 0 | 0 | 0 | 109.4 | C480 | C480-T482 PolarHBondContact O-N 3.39Š|
| 483 | V | 34.3 | Very low | 34.9 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | trans | -83.8 | 108.9 | 159.8 | -179.2 | 0 | 0 | 0 | 0 | 106.4 | I481 G485 | I481-V483 HydrophobicContact CG2-CG2 4.26Å; I481-V483 PolarHBondContact O-N 3.26Å; V483-G485 PolarHBondContact O-N 3.07Å |
| 484 | T | 38.3 | Very low | 34.4 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | -70.4 | 107 | 170.3 | 48.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 485 | G | 31.8 | Very low | 34 | Very low | 58 Ų | 58 | 129.5 Ų | 129.5 | 60% | 0.598 | 78% | 0.777 | S | S | * | * | | | trans | -66.3 | 151.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | V483 | V483-G485 PolarHBondContact O-N 3.07Š|
| 486 | F | 51 | Low | 33.3 | Very low | 216 Ų | 216 | 131.3 Ų | 131.3 | 95% | 0.947 | 78% | 0.775 | S | S | * | * | | | trans | -85.5 | 125.8 | 157.9 | -86.3 | -103.7 | 0 | 0 | 0 | 107.5 | | |
| 487 | E | 35.5 | Very low | 32.9 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | | | trans | -139.1 | 134.3 | 173.3 | -62.1 | 177.7 | 158.9 | 0 | 0 | 103.3 | | |
| 488 | D | 32.3 | Very low | 32.3 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | | | cis | -132.7 | 169.7 | 20.5 | -72.9 | -65.5 | 0 | 0 | 0 | 114.5 | | |
| 489 | E | 32.3 | Very low | 31.8 | Very low | 169 Ų | 169 | 130.3 Ų | 130.3 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | | | trans | -60 | 163.7 | 165.7 | -55.5 | -85.8 | 125.1 | 0 | 0 | 110.9 | | |
| 490 | D | 28.5 | Very low | 31.5 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | | | | -159.1 | 157.9 | 76.6 | -94.5 | -38.3 | 0 | 0 | 0 | 113.7 | | |
| 491 | A | 29.1 | Very low | 31 | Very low | 84 Ų | 84 | 132.6 Ų | 132.6 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | | | trans | -74.3 | 153.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 492 | S | 27.7 | Very low | 30.6 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | | | | 174.9 | 143.6 | 114.6 | -77.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 493 | S | 33.4 | Very low | 30.6 | Very low | 119 Ų | 119 | 131 Ų | 131 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | -101.3 | 130.8 | -178.5 | 49.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 494 | S | 23.8 | Very low | 30.2 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | | | trans | -172.6 | 161.1 | 153 | 59.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 495 | S | 24.6 | Very low | 29.8 | Very low | 97 Ų | 97 | 130.2 Ų | 130.2 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | | | cis | 174.3 | 139.3 | -24.7 | -178.6 | 0 | 0 | 0 | 0 | 104.6 | | |
| 496 | M | 25.8 | Very low | 29.5 | Very low | 154 Ų | 154 | 133.1 Ų | 133.1 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | | | trans | 68 | 144.7 | 156 | -76 | -177.3 | 88.7 | 0 | 0 | 122.7 | | |
| 497 | N | 25.9 | Very low | 28.5 | Very low | 138 Ų | 138 | 131.3 Ų | 131.3 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | | | trans | 76.1 | 141.1 | 154 | -58.5 | -24.5 | 0 | 0 | 0 | 116.3 | | |
| 498 | S | 23.6 | Very low | 27.9 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | | | cis | 160.3 | 145.2 | 10.2 | 166 | 0 | 0 | 0 | 0 | 103.6 | | |
| 499 | C | 25.9 | Very low | 27.6 | Very low | 93 Ų | 93 | 133.7 Ų | 133.7 | 63% | 0.628 | 80% | 0.797 | S | S | * | * | | | cis | -172.3 | 178.5 | -1.9 | -111.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 500 | H | 26.7 | Very low | 28.2 | Very low | 176 Ų | 176 | 131.4 Ų | 131.4 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | | | trans | 67.5 | 118.2 | 151.9 | -55.7 | -36.9 | 0 | 0 | 0 | 121.3 | | |
| 501 | A | 26.6 | Very low | 27.9 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | | | | -156.3 | 123.2 | 104.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 502 | S | 29.3 | Very low | 27.7 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | | | trans | -120.5 | 156.3 | 166 | -52.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 503 | P | 36 | Very low | 27.6 | Very low | 133 Ų | 133 | 133 Ų | 133 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | | | | -140.1 | 145.4 | 103.8 | 32.5 | -17.1 | 0 | 0 | 0 | 111.9 | | |
| 504 | G | 26.7 | Very low | 27.2 | Very low | 76 Ų | 76 | 132.4 Ų | 132.4 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | | | | 101.1 | 144.2 | 69.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 505 | L | 29.6 | Very low | 27.4 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | | | cis | -168.9 | 137.6 | 8.3 | 172.9 | 75.3 | 0 | 0 | 0 | 109.1 | | |
| 506 | S | 26.1 | Very low | 27.6 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | -171.7 | 147.8 | 136.8 | -162.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 507 | K | 28.9 | Very low | 27.8 | Very low | 178 Ų | 178 | 134.3 Ų | 134.3 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | | | trans | -132 | 148.5 | -176.9 | -65.4 | 177.2 | 176.5 | 179.3 | 0 | 110.7 | | |
| 508 | R | 23.6 | Very low | 28.2 | Very low | 248 Ų | 248 | 139.6 Ų | 139.6 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | | | trans | -168.4 | 168.9 | 131.7 | -107.5 | 171.4 | -174.9 | -157.1 | 0.6 | 112.2 | | |
| 509 | T | 25 | Very low | 28.7 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | | | trans | -121.6 | -156.3 | -148.5 | 54.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 510 | P | 44.6 | Very low | 29.3 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | | | | -125.7 | 172 | -116.7 | 37.1 | -16.3 | 0 | 0 | 0 | 116 | | |
| 511 | A | 23.3 | Very low | 29.5 | Very low | 90 Ų | 90 | 145.5 Ų | 145.5 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | | | trans | -175 | 151.9 | 148.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 512 | E | 24.1 | Very low | 30.1 | Very low | 176 Ų | 176 | 148 Ų | 148 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | | | trans | 1.1 | 144.4 | 152.3 | -60.1 | 171.8 | 118.1 | 0 | 0 | 119.3 | | |
| 513 | L | 25.5 | Very low | 30.7 | Very low | 144 Ų | 144 | 147.8 Ų | 147.8 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | | | | -174.1 | 166.3 | 54.1 | -161.2 | 75 | 0 | 0 | 0 | 111.4 | | |
| 514 | C | 26.4 | Very low | 30.6 | Very low | 107 Ų | 107 | 150.1 Ų | 150.1 | 72% | 0.723 | 80% | 0.8 | S | S | * | * | | | trans | 76.5 | 105.9 | 160.4 | -74.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 515 | N | 27.5 | Very low | 31.2 | Very low | 143 Ų | 143 | 155.2 Ų | 155.2 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | | | | -10.3 | 153.4 | 124.3 | -49.5 | -10.6 | 0 | 0 | 0 | 115.8 | | |
| 516 | D | 28.4 | Very low | 31.7 | Very low | 133 Ų | 133 | 154.4 Ų | 154.4 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | | | cis | -157.9 | 171.8 | 45.1 | -129.3 | -48.7 | 0 | 0 | 0 | 116.3 | | |
| 517 | N | 30 | Very low | 32.8 | Very low | 135 Ų | 135 | 157.5 Ų | 157.5 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | | | trans | -65 | 148.2 | -176.5 | -61 | -91.6 | 0 | 0 | 0 | 113.6 | | |
| 518 | R | 33.9 | Very low | 33.5 | Very low | 249 Ų | 249 | 156.4 Ų | 156.4 | 94% | 0.94 | 80% | 0.799 | S | S | * | * | | | trans | -122.2 | 114.4 | 149.6 | -69.7 | -163.6 | 86.7 | -170.1 | 5.6 | 110.1 | | |
| 519 | Q | 33.9 | Very low | 34.9 | Very low | 175 Ų | 175 | 150.6 Ų | 150.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -67 | 145.1 | 177 | -78.5 | 156.2 | -56.8 | 0 | 0 | 111.8 | V521 | Q519-V521 PolarHBondContact O-N 3.13Š|
| 520 | Q | 39.2 | Very low | 35.4 | Very low | 199 Ų | 199 | 151.5 Ų | 151.5 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | | | trans | -61.3 | 121.9 | 161.1 | -171 | 176.3 | 61.7 | 0 | 0 | 108.4 | | |
| 521 | V | 31.3 | Very low | 35.3 | Very low | 120 Ų | 120 | 151.7 Ų | 151.7 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | -132.8 | 127.7 | 170.4 | -146.2 | 0 | 0 | 0 | 0 | 108.7 | Q519 | Q519-V521 PolarHBondContact O-N 3.13Š|
| 522 | N | 39.3 | Very low | 36.2 | Very low | 154 Ų | 154 | 152 Ų | 152 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | | | trans | -85 | 126.6 | -178.2 | -158.8 | 5.4 | 0 | 0 | 0 | 108.2 | | |
| 523 | S | 42 | Very low | 36.8 | Very low | 109 Ų | 109 | 147.3 Ų | 147.3 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | -135.6 | 97.6 | 179.3 | -61.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 524 | F | 33.9 | Very low | 37.8 | Very low | 182 Ų | 182 | 149.6 Ų | 149.6 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | | | trans | -105.2 | 109.9 | 168.6 | -146 | -86.6 | 0 | 0 | 0 | 106.2 | L526 | F524-L526 HydrophobicContact CD1-CD2 4.13Å; F524-L526 HydrophobicContact CD1-CG 4.47Å; F524-L526 HydrophobicContact CE1-CD2 4.13Å |
| 525 | E | 39.3 | Very low | 38.4 | Very low | 184 Ų | 184 | 153.2 Ų | 153.2 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | | | trans | -99.6 | 125.5 | -179 | -167.3 | 161.6 | -160.8 | 0 | 0 | 108.3 | | |
| 526 | L | 40.4 | Very low | 38.9 | Very low | 148 Ų | 148 | 152.5 Ų | 152.5 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | | | trans | -107.9 | 110.8 | 179.6 | -68.5 | 172.3 | 0 | 0 | 0 | 108 | F524 E528 | F524-L526 HydrophobicContact CD1-CD2 4.13Å; F524-L526 HydrophobicContact CD1-CG 4.47Å; F524-L526 HydrophobicContact CE1-CD2 4.13Å; L526-E528 PolarHBondContact O-N 3.47Å |
| 527 | E | 47.5 | Very low | 39.2 | Very low | 184 Ų | 184 | 155.2 Ų | 155.2 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | trans | -75.2 | 121.2 | 172.2 | -79.5 | -171.1 | 132.8 | 0 | 0 | 110.9 | V529 | E527-V529 PolarHBondContact O-N 2.8Š|
| 528 | E | 43.9 | Very low | 39.2 | Very low | 155 Ų | 155 | 152.6 Ų | 152.6 | 72% | 0.724 | 81% | 0.811 | S | S | * | * | | | trans | -81 | 102.5 | 175.2 | -177 | 173.6 | -168.7 | 0 | 0 | 110.1 | L526 H530 | L526-E528 PolarHBondContact O-N 3.47Å; E528-H530 PolarHBondContact O-N 3.42Å; E528-H530 IonicContact OE1-CE1 3.47Å; E528-H530 PolarHBondContact OE1-CE1 3.49Å; E528-H530 IonicContact OE1-NE2 3.08Å |
| 529 | V | 52.5 | Low | 39 | Very low | 126 Ų | 126 | 149.8 Ų | 149.8 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | | | trans | -92 | 93.2 | 176.4 | -74.1 | 0 | 0 | 0 | 0 | 111.7 | E527 S531 | E527-V529 PolarHBondContact O-N 2.8Å; V529-S531 PolarHBondContact O-N 3.22Å |
| 530 | H | 35.4 | Very low | 39.8 | Very low | 149 Ų | 149 | 146.2 Ų | 146.2 | 69% | 0.69 | 80% | 0.801 | S | S | * | * | | | trans | -65 | 113.9 | 170.8 | -62 | -76.4 | 0 | 0 | 0 | 111 | E528 A532 | E528-H530 PolarHBondContact O-N 3.42Å; E528-H530 IonicContact OE1-CE1 3.47Å; E528-H530 PolarHBondContact OE1-CE1 3.49Å; E528-H530 IonicContact OE1-NE2 3.08Å; H530-A532 PolarHBondContact O-N 3.08Å |
| 531 | S | 43.6 | Very low | 39.3 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | | | trans | -83.1 | 89 | 167.6 | -65.1 | 0 | 0 | 0 | 0 | 109.9 | V529 | V529-S531 PolarHBondContact O-N 3.22Š|
| 532 | A | 41.4 | Very low | 39.2 | Very low | 97 Ų | 97 | 144 Ų | 144 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | | | trans | -76.7 | 123.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | H530 | H530-A532 PolarHBondContact O-N 3.08Š|
| 533 | G | 38.1 | Very low | 38.7 | Very low | 77 Ų | 77 | 142.2 Ų | 142.2 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | trans | -95.6 | 142.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 534 | E | 44.8 | Very low | 38 | Very low | 192 Ų | 192 | 143.2 Ų | 143.2 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | | | trans | -158.4 | 165.8 | 152.7 | 54.1 | -167.9 | 148.2 | 0 | 0 | 109.7 | | |
| 535 | E | 39.2 | Very low | 37.8 | Very low | 183 Ų | 183 | 140.3 Ų | 140.3 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | | | trans | -128.3 | 139 | -154.6 | 58 | -152.5 | 126.9 | 0 | 0 | 113.1 | | |
| 536 | D | 38.2 | Very low | 37.3 | Very low | 127 Ų | 127 | 137.8 Ų | 137.8 | 68% | 0.679 | 79% | 0.793 | S | S | * | * | | | trans | 80.6 | 151.9 | 149.7 | -130.7 | -14.4 | 0 | 0 | 0 | 122.5 | | |
| 537 | F | 34.6 | Very low | 36.6 | Very low | 190 Ų | 190 | 135.3 Ų | 135.3 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | | | trans | 43.7 | 127.8 | 164.9 | -61.5 | -60.8 | 0 | 0 | 0 | 123.3 | | |
| 538 | G | 31.1 | Very low | 35.8 | Very low | 81 Ų | 81 | 131.2 Ų | 131.2 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | | | trans | 134.7 | 108.9 | 134.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 539 | Q | 30.2 | Very low | 35.1 | Very low | 190 Ų | 190 | 131.4 Ų | 131.4 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | | | trans | -101 | 170.8 | 154.2 | -110 | -168.7 | -24.9 | 0 | 0 | 108.8 | | |
| 540 | P | 50.1 | Low | 34.1 | Very low | 100 Ų | 100 | 129.6 Ų | 129.6 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | | | cis | -141.2 | -170.6 | -11.5 | 27.7 | -2 | 0 | 0 | 0 | 115.3 | | |
| 541 | E | 28.9 | Very low | 34 | Very low | 184 Ų | 184 | 132.6 Ų | 132.6 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | trans | 99.5 | 148.6 | 148.8 | -56.8 | -142.8 | 161.3 | 0 | 0 | 123.8 | | |
| 542 | A | 28.9 | Very low | 33.4 | Very low | 87 Ų | 87 | 136.2 Ų | 136.2 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | | | trans | 84.5 | 83.6 | 152.6 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 543 | S | 27.9 | Very low | 33.1 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | | 43.2 | 129.2 | 116.9 | -52.5 | 0 | 0 | 0 | 0 | 122.2 | | |
| 544 | T | 27.6 | Very low | 32.8 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | | | | 176.8 | 112.6 | 111.8 | -74.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 545 | V | 29.6 | Very low | 32.2 | Very low | 122 Ų | 122 | 141.4 Ų | 141.4 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | | | trans | 44.3 | 109.4 | 138.2 | -169.8 | 0 | 0 | 0 | 0 | 119.4 | | |
| 546 | T | 29.6 | Very low | 32.1 | Very low | 131 Ų | 131 | 142.4 Ų | 142.4 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | | -174.5 | 161.8 | 99.9 | 28.6 | 0 | 0 | 0 | 0 | 110 | | |
| 547 | S | 26.5 | Very low | 31.8 | Very low | 95 Ų | 95 | 139.9 Ų | 139.9 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | | | cis | -171.2 | 137.3 | -24.8 | 52.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 548 | S | 28.9 | Very low | 31.8 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | | | trans | 50.3 | 119.5 | 150.3 | 65.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 549 | L | 30.1 | Very low | 32.5 | Very low | 160 Ų | 160 | 142.1 Ų | 142.1 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | | 180 | 170.5 | 66.3 | -103.4 | 133.2 | 0 | 0 | 0 | 109.1 | | |
| 550 | S | 30.9 | Very low | 33 | Very low | 87 Ų | 87 | 139.1 Ų | 139.1 | 61% | 0.608 | 77% | 0.771 | S | S | * | * | | | cis | -154.1 | 123.9 | 0.7 | -167.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 551 | R | 32.9 | Very low | 32.5 | Very low | 212 Ų | 212 | 145.5 Ų | 145.5 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | | | trans | 40.8 | 111.1 | 136.7 | -163 | 173.3 | 75.9 | -173.3 | 7.2 | 121.8 | | |
| 552 | K | 32.7 | Very low | 33 | Very low | 201 Ų | 201 | 140.4 Ų | 140.4 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | | | | -160.1 | 136.2 | 111.6 | -111.5 | 174.7 | -178.7 | 179.8 | 0 | 113.9 | | |
| 553 | H | 33.5 | Very low | 33.4 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | | | trans | -77.7 | 166.6 | 172.6 | -71.2 | -119.4 | 0 | 0 | 0 | 110.1 | | |
| 554 | S | 31.9 | Very low | 34 | Very low | 102 Ų | 102 | 143 Ų | 143 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | | | cis | -158.8 | 135.2 | 37.7 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 555 | R | 33.7 | Very low | 34.7 | Very low | 213 Ų | 213 | 143 Ų | 143 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | | 34.9 | 136.2 | 95.1 | -55.6 | -175.6 | 177.6 | -162.8 | -2.5 | 113.7 | | |
| 556 | K | 36.8 | Very low | 35.5 | Very low | 204 Ų | 204 | 145 Ų | 145 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | | | cis | -165.3 | 149.5 | 28.5 | -149.3 | 176.9 | 178.5 | -170.2 | 0 | 104.8 | | |
| 557 | G | 31.8 | Very low | 36.1 | Very low | 73 Ų | 73 | 144.5 Ų | 144.5 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | | | cis | 113.4 | 105.8 | 23.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 558 | E | 35.2 | Very low | 37.1 | Very low | 185 Ų | 185 | 146.3 Ų | 146.3 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | | | trans | -144.7 | 147.5 | 172.4 | -170.1 | 158 | -170.9 | 0 | 0 | 111.1 | | |
| 559 | V | 44.2 | Very low | 37.9 | Very low | 133 Ų | 133 | 147.8 Ų | 147.8 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | | | trans | -134.2 | 124.5 | -172.9 | 172.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 560 | V | 40.5 | Very low | 38.8 | Very low | 127 Ų | 127 | 145.8 Ų | 145.8 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | | | trans | -138.5 | 130 | 169.3 | 174.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 561 | R | 40.5 | Very low | 39.4 | Very low | 235 Ų | 235 | 145.4 Ų | 145.4 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | | | trans | -80.4 | 153.1 | 167.2 | -70.3 | 174.9 | 173 | 159.8 | -5.1 | 110.1 | | |
| 562 | G | 38.7 | Very low | 39.5 | Very low | 76 Ų | 76 | 145.1 Ų | 145.1 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | | | trans | -164.5 | 116.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 563 | D | 37.5 | Very low | 40.4 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | -81.6 | -173.4 | 178.8 | -52.2 | -69.5 | 0 | 0 | 0 | 112.1 | | |
| 564 | S | 40.4 | Very low | 40.7 | Very low | 111 Ų | 111 | 139 Ų | 139 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | 81.8 | 144.7 | 160.6 | -52.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 565 | V | 44 | Very low | 41.7 | Very low | 129 Ų | 129 | 143.1 Ų | 143.1 | 78% | 0.782 | 81% | 0.808 | S | S | * | * | | | cis | -155.3 | 171.3 | -18 | -99 | 0 | 0 | 0 | 0 | 107.7 | | |
| 566 | Q | 45.5 | Very low | 42.1 | Very low | 164 Ų | 164 | 139.8 Ų | 139.8 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | | | trans | -50.8 | 152 | 165.8 | -63.2 | 166.7 | -104.2 | 0 | 0 | 112.5 | | |
| 567 | S | 42.4 | Very low | 42.2 | Very low | 122 Ų | 122 | 134 Ų | 134 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | | | trans | -148.2 | 118.8 | 161 | -75.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 568 | D | 47.6 | Very low | 42.5 | Very low | 133 Ų | 133 | 137 Ų | 137 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | | | trans | -103.8 | 142.4 | -176.7 | -21.5 | -57.2 | 0 | 0 | 0 | 107.8 | | |
| 569 | S | 45.9 | Very low | 42.6 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | | | trans | -149 | 108.2 | 165.9 | -84.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 570 | S | 48.6 | Very low | 42 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | -73.4 | 152.3 | 160.6 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 571 | G | 44.1 | Very low | 42.1 | Very low | 78 Ų | 78 | 138.2 Ų | 138.2 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -161 | 64.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 572 | Y | 34.8 | Very low | 41.8 | Very low | 207 Ų | 207 | 134.3 Ų | 134.3 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | trans | -77.4 | 142.6 | 164.5 | -115.8 | -104.7 | 0 | 0 | 0 | 109.5 | | |
| 573 | A | 50 | Low | 42 | Very low | 92 Ų | 92 | 135 Ų | 135 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | | | trans | -133.5 | 101.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 574 | D | 40 | Very low | 42.3 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | | | trans | -86.5 | 130.4 | 162.7 | -79.8 | -50.5 | 0 | 0 | 0 | 108.5 | | |
| 575 | E | 53.3 | Low | 42.8 | Very low | 188 Ų | 188 | 143.1 Ų | 143.1 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | | | trans | -117.1 | 101.3 | 170.1 | -82.6 | -66.9 | 166.4 | 0 | 0 | 109.6 | G577 | E575-G577 PolarHBondContact O-N 3.37Š|
| 576 | E | 43.3 | Very low | 42.9 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 67% | 0.668 | 79% | 0.79 | S | S | * | * | | | trans | -94.8 | 88.3 | -176.1 | -165.7 | -162.1 | -169.7 | 0 | 0 | 111.2 | K578 | E576-K578 PolarHBondContact O-N 3.33Å; E576-K578 IonicContact OE1-NZ 2.77Å; E576-K578 PolarHBondContact OE1-NZ 3.37Å; E576-K578 IonicContact OE2-NZ 2.59Å; E576-K578 PolarHBondContact OE2-NZ 3.18Å |
| 577 | G | 38.6 | Very low | 42.9 | Very low | 83 Ų | 83 | 147.6 Ų | 147.6 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | | | trans | -74.5 | 87.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E575 | E575-G577 PolarHBondContact O-N 3.37Š|
| 578 | K | 38.4 | Very low | 42.9 | Very low | 135 Ų | 135 | 148.9 Ų | 148.9 | 59% | 0.587 | 81% | 0.814 | S | S | * | * | | | trans | -73.4 | 136.1 | 176.4 | -80 | -179.8 | 166.6 | 68 | 0 | 113.8 | E576 | E576-K578 PolarHBondContact O-N 3.33Å; E576-K578 IonicContact OE1-NZ 2.77Å; E576-K578 PolarHBondContact OE1-NZ 3.37Å; E576-K578 IonicContact OE2-NZ 2.59Å; E576-K578 PolarHBondContact OE2-NZ 3.18Å |
| 579 | N | 36.3 | Very low | 42.6 | Very low | 136 Ų | 136 | 149.7 Ų | 149.7 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | | | trans | 61.4 | 119.9 | 148.3 | -57.3 | -17.7 | 0 | 0 | 0 | 120 | | |
| 580 | N | 32.8 | Very low | 42.4 | Very low | 156 Ų | 156 | 150.9 Ų | 150.9 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | | | | -162.1 | 155 | 100.1 | -108.3 | -30.6 | 0 | 0 | 0 | 116.3 | | |
| 581 | F | 40.7 | Very low | 42.1 | Very low | 179 Ų | 179 | 152.8 Ų | 152.8 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | | | trans | -39.1 | 137.7 | 172.9 | -85.9 | -117.9 | 0 | 0 | 0 | 115.7 | | |
| 582 | N | 35 | Very low | 42 | Very low | 152 Ų | 152 | 157.5 Ų | 157.5 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | | | | -159.2 | 135.2 | 107 | -102.8 | -37.6 | 0 | 0 | 0 | 113.4 | | |
| 583 | S | 43.4 | Very low | 42.4 | Very low | 92 Ų | 92 | 154.2 Ų | 154.2 | 64% | 0.643 | 82% | 0.815 | S | S | * | * | | | trans | -69 | 150.1 | 161.1 | -68.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 584 | Y | 43.7 | Very low | 41.9 | Very low | 228 Ų | 228 | 158.6 Ų | 158.6 | 89% | 0.894 | 82% | 0.819 | S | S | * | * | | | | -161.2 | 129.7 | 123.6 | -91.6 | -61.4 | 0 | 0 | 0 | 111.3 | | |
| 585 | K | 51.3 | Low | 42.1 | Very low | 200 Ų | 200 | 160 Ų | 160 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | | | trans | -69.7 | 148.5 | 165.6 | -64.8 | 170.7 | 172.5 | 175.6 | 0 | 109.9 | | |
| 586 | K | 45.7 | Very low | 41.1 | Very low | 195 Ų | 195 | 157.7 Ų | 157.7 | 85% | 0.848 | 82% | 0.819 | S | S | * | * | | | | -171.4 | 140.7 | 113.7 | -113 | 177.6 | 175.8 | 177.2 | 0 | 114.3 | | |
| 587 | C | 44.1 | Very low | 40.9 | Very low | 193 Ų | 193 | 159 Ų | 159 | 100% | 1.304 | 83% | 0.833 | S | S | * | * | | | trans | 58.9 | 0 | 156 | -63 | 0 | 0 | 0 | 0 | 117.1 | | |