| 1 | M | 40.3 | Very low | 42.5 | Very low | 253 Ų | 253 | 159.6 Ų | 159.6 | 100% | 1.246 | 88% | 0.876 | S | S | * | * | | | | 0 | 135.5 | 0 | -76.3 | 171.7 | 161.9 | 0 | 0 | 107.5 | | |
| 2 | A | 38.3 | Very low | 42.6 | Very low | 93 Ų | 93 | 155.2 Ų | 155.2 | 77% | 0.769 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 153.8 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 3 | P | 54.2 | Low | 43 | Very low | 124 Ų | 124 | 158.8 Ų | 158.8 | 81% | 0.805 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 154.2 | 153.1 | 34 | -29.5 | 0 | 0 | 0 | 111.1 | | |
| 4 | V | 43.3 | Very low | 43.2 | Very low | 140 Ų | 140 | 154.9 Ų | 154.9 | 85% | 0.848 | 87% | 0.87 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 133.9 | -165.9 | 174.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 5 | L | 42.3 | Very low | 42.7 | Very low | 171 Ų | 171 | 149.3 Ų | 149.3 | 90% | 0.895 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 120.9 | 167.5 | -71 | 167.2 | 0 | 0 | 0 | 110.1 | | |
| 6 | S | 48.8 | Very low | 42.2 | Very low | 116 Ų | 116 | 148.4 Ų | 148.4 | 81% | 0.811 | 86% | 0.858 | S | S | * | * | | | trans | -92 | 100.6 | 168.6 | -168.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 7 | G | 36.7 | Very low | 42.1 | Very low | 69 Ų | 69 | 147.9 Ų | 147.9 | 71% | 0.711 | 86% | 0.857 | S | S | * | * | | | trans | -81.7 | 118.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R9 | G7-R9 PolarHBondContact O-N 3.23Š|
| 8 | V | 42 | Very low | 41.6 | Very low | 136 Ų | 136 | 143.9 Ų | 143.9 | 82% | 0.824 | 85% | 0.853 | S | S | * | * | | | trans | -78.1 | 113.6 | 166.9 | 177.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 9 | R | 37.9 | Very low | 41.9 | Very low | 236 Ų | 236 | 143.2 Ų | 143.2 | 89% | 0.891 | 86% | 0.856 | S | S | * | * | | | trans | -73.9 | 133.2 | 176.4 | -76.7 | 177.7 | 171.3 | 153.2 | -3.8 | 110.7 | G7 | G7-R9 PolarHBondContact O-N 3.23Š|
| 10 | W | 45.2 | Very low | 41.6 | Very low | 248 Ų | 248 | 139.2 Ų | 139.2 | 94% | 0.939 | 85% | 0.846 | S | S | * | * | | | trans | -79.2 | 126.3 | 151.5 | -67.5 | 82.7 | 0 | 0 | 0 | 108.5 | | |
| 11 | L | 38.8 | Very low | 41.9 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 89% | 0.89 | 85% | 0.85 | S | S | * | * | | | trans | -153 | 139.8 | 153.7 | -157.5 | 64.2 | 0 | 0 | 0 | 110.8 | | |
| 12 | S | 44 | Very low | 41.8 | Very low | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 83% | 0.826 | S | S | * | * | | | trans | -72.3 | 156 | -173.1 | -37.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 13 | E | 47 | Very low | 42.2 | Very low | 203 Ų | 203 | 132 Ų | 132 | 95% | 0.949 | 83% | 0.826 | S | S | * | * | | | trans | -130.3 | 134.8 | 136.6 | -76.8 | -162.6 | 111.8 | 0 | 0 | 109.9 | | |
| 14 | A | 45.7 | Very low | 41.4 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | | | trans | -124 | 130.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 15 | G | 36.8 | Very low | 41.6 | Very low | 70 Ų | 70 | 130.3 Ų | 130.3 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | | | trans | 171.3 | 115.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 16 | V | 34.2 | Very low | 41.4 | Very low | 136 Ų | 136 | 125.3 Ų | 125.3 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | | | trans | 78.2 | 99.9 | 139.6 | -171.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 17 | V | 40.1 | Very low | 41.4 | Very low | 139 Ų | 139 | 123.5 Ų | 123.5 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | | | | 43.1 | 110 | 128.9 | -173.7 | 0 | 0 | 0 | 0 | 118.5 | | |
| 18 | G | 34.3 | Very low | 41.7 | Very low | 76 Ų | 76 | 123.4 Ų | 123.4 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | | | trans | -144.6 | 96.8 | 154 | 0 | 0 | 0 | 0 | 0 | 110 | G20 | G18-G20 PolarHBondContact O-N 3.05Š|
| 19 | S | 45.6 | Very low | 42 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | | | trans | -69.1 | 114.6 | 171 | -171.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 20 | G | 36.8 | Very low | 42.9 | Very low | 63 Ų | 63 | 125 Ų | 125 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | | | trans | -157.6 | 99.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | G18 A22 | G18-G20 PolarHBondContact O-N 3.05Å; G20-A22 VanDerWaalsContact C-N 3.29Å; G20-A22 PolarHBondContact O-N 3.23Å |
| 21 | T | 47.8 | Very low | 43.7 | Very low | 154 Ų | 154 | 115.7 Ų | 115.7 | 95% | 0.945 | 76% | 0.762 | S | S | * | * | | | trans | -64.2 | 87.6 | 172.3 | 47.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 22 | A | 38.2 | Very low | 44.9 | Very low | 88 Ų | 88 | 114.4 Ų | 114.4 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | trans | -106.7 | 99.9 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | G20 A24 | G20-A22 VanDerWaalsContact C-N 3.29Å; G20-A22 PolarHBondContact O-N 3.23Å; A22-A24 PolarHBondContact O-N 3.47Å |
| 23 | A | 47.1 | Very low | 46.2 | Very low | 93 Ų | 93 | 113 Ų | 113 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | | | trans | -64.6 | 85.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | T25 | A23-T25 PolarHBondContact O-N 3.38Š|
| 24 | A | 37.9 | Very low | 47.5 | Very low | 94 Ų | 94 | 109 Ų | 109 | 78% | 0.777 | 72% | 0.723 | S | S | * | * | | | trans | -69.9 | 82.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107 | A22 G26 | A22-A24 PolarHBondContact O-N 3.47Å; A24-G26 PolarHBondContact O-N 2.98Å |
| 25 | T | 47.6 | Very low | 49.3 | Very low | 134 Ų | 134 | 110.1 Ų | 110.1 | 82% | 0.822 | 71% | 0.71 | S | S | * | * | | | trans | -63.4 | 63.8 | 151.3 | 31 | 0 | 0 | 0 | 0 | 108.4 | A23 A27 | A23-T25 PolarHBondContact O-N 3.38Å; T25-A27 PolarHBondContact O-N 3.31Å |
| 26 | G | 38 | Very low | 51.8 | Low | 66 Ų | 66 | 111.7 Ų | 111.7 | 68% | 0.68 | 70% | 0.702 | S | S | * | * | | | trans | -66.6 | 74.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 107 | A24 A28 | A24-G26 PolarHBondContact O-N 2.98Å; G26-A28 PolarHBondContact O-N 3.22Å |
| 27 | A | 47.8 | Very low | 54.5 | Low | 79 Ų | 79 | 109.5 Ų | 109.5 | 65% | 0.653 | 69% | 0.688 | S | S | * | * | | | trans | -61.8 | 81.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 106 | T25 Y29 | T25-A27 PolarHBondContact O-N 3.31Å; A27-Y29 PolarHBondContact O-N 3.05Å |
| 28 | A | 44.1 | Very low | 57 | Low | 67 Ų | 67 | 108.5 Ų | 108.5 | 55% | 0.554 | 68% | 0.678 | S | S | * | * | | | trans | -60.2 | 93.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 105.1 | G26 W30 | G26-A28 PolarHBondContact O-N 3.22Å; A28-W30 PolarHBondContact O-N 3.33Å |
| 29 | Y | 47.6 | Very low | 59.9 | Low | 216 Ų | 216 | 109.1 Ų | 109.1 | 85% | 0.847 | 67% | 0.666 | S | S | * | * | | | trans | -64.5 | 71.1 | 160.9 | -111.4 | -94.1 | 0 | 0 | 0 | 106.4 | A27 | A27-Y29 PolarHBondContact O-N 3.05Š|
| 30 | W | 55.7 | Low | 62.2 | Low | 189 Ų | 189 | 106.8 Ų | 106.8 | 72% | 0.716 | 65% | 0.646 | S | S | * | * | | | trans | -52 | 126.5 | 159.3 | -74.3 | 96.8 | 0 | 0 | 0 | 105.5 | A28 Q32 | A28-W30 PolarHBondContact O-N 3.33Å; W30-Q32 PolarHBondContact O-N 3.27Å |
| 31 | P | 62.7 | Low | 65 | Low | 52 Ų | 52 | 107 Ų | 107 | 34% | 0.338 | 64% | 0.635 | S | S | . | * | | | trans | -58.2 | 108.8 | -178.4 | 22.5 | -32.6 | 0 | 0 | 0 | 107.8 | S33 E34 Q35 | P31-S33 PolarHBondContact O-N 3.49Å; P31-E34 HydrophobicContact CB-CG 4.14Å; P31-E34 HydrophobicContact CG-CB 4Å; P31-E34 HydrophobicContact CG-CG 3.63Å; P31-E34 VanDerWaalsContact CG-OE2 3.27Å; P31-E34 WeakPolarHBondContact CG-OE2 3.32Å; P31-E34 PolarHBondContact O-N 3.04Å; P31-Q35 PolarHBondContact O-N 2.75Å |
| 32 | Q | 64.3 | Low | 67.4 | Low | 143 Ų | 143 | 105.1 Ų | 105.1 | 67% | 0.668 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -56.1 | -27 | -172.5 | -166.6 | 174.2 | 6 | 0 | 0 | 111.3 | W30 L36 | W30-Q32 PolarHBondContact O-N 3.27Å; Q32-L36 HydrophobicContact CG-CD1 4.29Å; Q32-L36 VanDerWaalsContact O-CB 3.29Å; Q32-L36 WeakPolarHBondContact O-CB 3.35Å; Q32-L36 WeakPolarHBondContact O-CD1 3.42Å; Q32-L36 WeakPolarHBondContact O-CG 3.33Å; Q32-L36 PolarHBondContact O-N 3.02Å |
| 33 | S | 70.1 | Confident | 70.2 | Confident | 77 Ų | 77 | 104.8 Ų | 104.8 | 54% | 0.538 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -60.5 | -42.1 | 169.4 | 50.3 | 0 | 0 | 0 | 0 | 114.8 | P31 L36 V37 | P31-S33 PolarHBondContact O-N 3.49Å; S33-L36 PolarHBondContact O-N 3.27Å; S33-V37 WeakPolarHBondContact O-CB 3.41Å; S33-V37 VanDerWaalsContact O-CG2 3.22Å; S33-V37 WeakPolarHBondContact O-CG2 3.48Å; S33-V37 PolarHBondContact O-N 3.14Å |
| 34 | E | 74.4 | Confident | 72.6 | Confident | 118 Ų | 118 | 105 Ų | 105 | 55% | 0.551 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -71.2 | -41.7 | -179.2 | -66.4 | -178.9 | -179.3 | 0 | 0 | 111 | P31 V37 L38 | P31-E34 HydrophobicContact CB-CG 4.14Å; P31-E34 HydrophobicContact CG-CB 4Å; P31-E34 HydrophobicContact CG-CG 3.63Å; P31-E34 VanDerWaalsContact CG-OE2 3.27Å; P31-E34 WeakPolarHBondContact CG-OE2 3.32Å; P31-E34 PolarHBondContact O-N 3.04Å; E34-V37 PolarHBondContact O-N 2.79Å; E34-L38 WeakPolarHBondContact O-CG 3.18Å; E34-L38 PolarHBondContact O-N 3.23Å |
| 35 | Q | 84.3 | Confident | 75.4 | Confident | 128 Ų | 128 | 104 Ų | 104 | 60% | 0.598 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65 | -39.8 | 174.2 | -166 | 175.7 | 14.5 | 0 | 0 | 111.5 | P31 L38 V39 | P31-Q35 PolarHBondContact O-N 2.75Å; Q35-L38 PolarHBondContact O-N 2.85Å; Q35-V39 VanDerWaalsContact O-CG2 3.32Å; Q35-V39 WeakPolarHBondContact O-CG2 3.39Å; Q35-V39 PolarHBondContact O-N 3.17Å |
| 36 | L | 88.5 | Confident | 77.8 | Confident | 104 Ų | 104 | 100.7 Ų | 100.7 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.7 | -42.5 | 172 | -78.9 | 166.1 | 0 | 0 | 0 | 112.1 | Q32 S33 V39 V40 | Q32-L36 HydrophobicContact CG-CD1 4.29Å; Q32-L36 VanDerWaalsContact O-CB 3.29Å; Q32-L36 WeakPolarHBondContact O-CB 3.35Å; Q32-L36 WeakPolarHBondContact O-CD1 3.42Å; Q32-L36 WeakPolarHBondContact O-CG 3.33Å; Q32-L36 PolarHBondContact O-N 3.02Å; S33-L36 PolarHBondContact O-N 3.27Å; L36-V39 PolarHBondContact O-N 3.36Å; L36-V40 WeakPolarHBondContact O-CB 3.4Å; L36-V40 VanDerWaalsContact O-CG2 3.24Å; L36-V40 WeakPolarHBondContact O-CG2 3.49Å; L36-V40 PolarHBondContact O-N 2.95Å |
| 37 | V | 91.4 | Very high | 80.7 | Confident | 90 Ų | 90 | 99.4 Ų | 99.4 | 55% | 0.545 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.9 | -39.9 | 175.7 | 166.4 | 0 | 0 | 0 | 0 | 111.3 | S33 E34 T41 | S33-V37 WeakPolarHBondContact O-CB 3.41Å; S33-V37 VanDerWaalsContact O-CG2 3.22Å; S33-V37 WeakPolarHBondContact O-CG2 3.48Å; S33-V37 PolarHBondContact O-N 3.14Å; E34-V37 PolarHBondContact O-N 2.79Å; V37-T41 HydrophobicContact CG1-CG2 4.35Å; V37-T41 WeakPolarHBondContact O-CB 3.34Å; V37-T41 VanDerWaalsContact O-CG2 3.31Å; V37-T41 WeakPolarHBondContact O-CG2 3.29Å; V37-T41 PolarHBondContact O-N 2.85Å; V37-T41 PolarHBondContact O-OG1 3.28Å |
| 38 | L | 92.6 | Very high | 83.1 | Confident | 117 Ų | 117 | 100.4 Ų | 100.4 | 61% | 0.613 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.2 | -43.9 | 174.6 | -72.6 | 170.8 | 0 | 0 | 0 | 111.9 | E34 Q35 T41 L42 | E34-L38 WeakPolarHBondContact O-CG 3.18Å; E34-L38 PolarHBondContact O-N 3.23Å; Q35-L38 PolarHBondContact O-N 2.85Å; L38-T41 WeakPolarHBondContact CA-OG1 3.25Å; L38-T41 PolarHBondContact O-OG1 2.95Å; L38-T41 VanDerWaalsContact O-OG1 3.14Å; L38-L42 WeakPolarHBondContact O-CB 3.37Å; L38-L42 PolarHBondContact O-N 3.08Å |
| 39 | V | 94.9 | Very high | 85.6 | Confident | 89 Ų | 89 | 102.4 Ų | 102.4 | 54% | 0.539 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 176.7 | 170.5 | 0 | 0 | 0 | 0 | 111.5 | Q35 L36 S43 | Q35-V39 VanDerWaalsContact O-CG2 3.32Å; Q35-V39 WeakPolarHBondContact O-CG2 3.39Å; Q35-V39 PolarHBondContact O-N 3.17Å; L36-V39 PolarHBondContact O-N 3.36Å; V39-S43 WeakPolarHBondContact O-CB 3.33Å; V39-S43 PolarHBondContact O-N 3.39Å |
| 40 | V | 95.1 | Very high | 88 | Confident | 81 Ų | 81 | 97.7 Ų | 97.7 | 49% | 0.491 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.2 | -44.7 | 177.4 | 169 | 0 | 0 | 0 | 0 | 111.4 | L36 S43 I44 | L36-V40 WeakPolarHBondContact O-CB 3.4Å; L36-V40 VanDerWaalsContact O-CG2 3.24Å; L36-V40 WeakPolarHBondContact O-CG2 3.49Å; L36-V40 PolarHBondContact O-N 2.95Å; V40-S43 PolarHBondContact O-N 3.47Å; V40-I44 HydrophobicContact CG1-CD1 3.81Å; V40-I44 VanDerWaalsContact O-CG1 3.26Å; V40-I44 WeakPolarHBondContact O-CG1 3.36Å; V40-I44 PolarHBondContact O-N 3.09Å |
| 41 | T | 95.8 | Very high | 90 | Very high | 68 Ų | 68 | 93 Ų | 93 | 42% | 0.417 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 177.6 | 50.3 | 0 | 0 | 0 | 0 | 111.6 | V37 L38 S43 I44 V45 | V37-T41 HydrophobicContact CG1-CG2 4.35Å; V37-T41 WeakPolarHBondContact O-CB 3.34Å; V37-T41 VanDerWaalsContact O-CG2 3.31Å; V37-T41 WeakPolarHBondContact O-CG2 3.29Å; V37-T41 PolarHBondContact O-N 2.85Å; V37-T41 PolarHBondContact O-OG1 3.28Å; L38-T41 WeakPolarHBondContact CA-OG1 3.25Å; L38-T41 PolarHBondContact O-OG1 2.95Å; L38-T41 VanDerWaalsContact O-OG1 3.14Å; T41-S43 VanDerWaalsContact C-N 3.35Å; T41-S43 PolarHBondContact O-N 2.98Å; T41-I44 PolarHBondContact O-N 2.81Å; T41-V45 WeakPolarHBondContact O-CB 3.49Å; T41-V45 VanDerWaalsContact O-CG2 3.31Å; T41-V45 WeakPolarHBondContact O-CG2 3.38Å; T41-V45 PolarHBondContact O-N 2.86Å |
| 42 | L | 96.8 | Very high | 91.7 | Very high | 114 Ų | 114 | 94 Ų | 94 | 60% | 0.597 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.3 | -40.4 | 173.6 | -173.3 | 64.4 | 0 | 0 | 0 | 112 | L38 V45 T46 | L38-L42 WeakPolarHBondContact O-CB 3.37Å; L38-L42 PolarHBondContact O-N 3.08Å; L42-V45 PolarHBondContact O-N 3.32Å; L42-T46 VanDerWaalsContact O-CB 3.28Å; L42-T46 WeakPolarHBondContact O-CB 3.39Å; L42-T46 PolarHBondContact O-N 3.31Å; L42-T46 PolarHBondContact O-OG1 3.44Å |
| 43 | S | 96.8 | Very high | 93.2 | Very high | 81 Ų | 81 | 91.5 Ų | 91.5 | 57% | 0.566 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.2 | -45.3 | 174.1 | -179.1 | 0 | 0 | 0 | 0 | 112.2 | V39 V40 T41 T46 G47 | V39-S43 WeakPolarHBondContact O-CB 3.33Å; V39-S43 PolarHBondContact O-N 3.39Å; V40-S43 PolarHBondContact O-N 3.47Å; T41-S43 VanDerWaalsContact C-N 3.35Å; T41-S43 PolarHBondContact O-N 2.98Å; S43-T46 PolarHBondContact O-N 3.37Å; S43-G47 PolarHBondContact O-N 3.07Å |
| 44 | I | 97.9 | Very high | 94.5 | Very high | 97 Ų | 97 | 92.7 Ų | 92.7 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.5 | -48 | 175.9 | -68.5 | 163.2 | 0 | 0 | 0 | 110.8 | V40 T41 T46 G47 L48 | V40-I44 HydrophobicContact CG1-CD1 3.81Å; V40-I44 VanDerWaalsContact O-CG1 3.26Å; V40-I44 WeakPolarHBondContact O-CG1 3.36Å; V40-I44 PolarHBondContact O-N 3.09Å; T41-I44 PolarHBondContact O-N 2.81Å; I44-T46 VanDerWaalsContact C-N 3.32Å; I44-T46 PolarHBondContact O-N 3.46Å; I44-G47 PolarHBondContact O-N 3.31Å; I44-L48 HydrophobicContact CG2-CD1 3.98Å; I44-L48 HydrophobicContact CG2-CG 4.42Å; I44-L48 WeakPolarHBondContact O-CG 3.31Å; I44-L48 PolarHBondContact O-N 3.46Å |
| 45 | V | 98.1 | Very high | 95.5 | Very high | 75 Ų | 75 | 92.2 Ų | 92.2 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 177.7 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | T41 L42 L48 L49 | T41-V45 WeakPolarHBondContact O-CB 3.49Å; T41-V45 VanDerWaalsContact O-CG2 3.31Å; T41-V45 WeakPolarHBondContact O-CG2 3.38Å; T41-V45 PolarHBondContact O-N 2.86Å; L42-V45 PolarHBondContact O-N 3.32Å; V45-L48 PolarHBondContact O-N 2.93Å; V45-L49 HydrophobicContact CG1-CD1 4.03Å; V45-L49 HydrophobicContact CG1-CG 4.46Å; V45-L49 VanDerWaalsContact O-CG 3.31Å; V45-L49 WeakPolarHBondContact O-CG 3.31Å; V45-L49 PolarHBondContact O-N 3.43Å |
| 46 | T | 98 | Very high | 95.9 | Very high | 64 Ų | 64 | 87.9 Ų | 87.9 | 39% | 0.393 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 177.7 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | L42 S43 I44 L48 L49 L50 | L42-T46 VanDerWaalsContact O-CB 3.28Å; L42-T46 WeakPolarHBondContact O-CB 3.39Å; L42-T46 PolarHBondContact O-N 3.31Å; L42-T46 PolarHBondContact O-OG1 3.44Å; S43-T46 PolarHBondContact O-N 3.37Å; I44-T46 VanDerWaalsContact C-N 3.32Å; I44-T46 PolarHBondContact O-N 3.46Å; T46-L48 PolarHBondContact O-N 3.28Å; T46-L49 PolarHBondContact O-N 3.17Å; T46-L50 HydrophobicContact CG2-CD1 4.15Å; T46-L50 WeakPolarHBondContact O-CB 3.38Å; T46-L50 VanDerWaalsContact O-CG 3.31Å; T46-L50 WeakPolarHBondContact O-CG 3.45Å; T46-L50 PolarHBondContact O-N 3.18Å |
| 47 | G | 98.1 | Very high | 96.2 | Very high | 38 Ų | 38 | 87.8 Ų | 87.8 | 39% | 0.392 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S43 I44 L51 | S43-G47 PolarHBondContact O-N 3.07Å; I44-G47 PolarHBondContact O-N 3.31Å; G47-L51 VanDerWaalsContact O-CB 3.29Å; G47-L51 WeakPolarHBondContact O-CB 3.4Å; G47-L51 PolarHBondContact O-N 3.19Å |
| 48 | L | 97.8 | Very high | 96.1 | Very high | 100 Ų | 100 | 86.9 Ų | 86.9 | 52% | 0.524 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.6 | -38.8 | 175.4 | -70.4 | 172.6 | 0 | 0 | 0 | 112.3 | I44 V45 T46 S52 | I44-L48 HydrophobicContact CG2-CD1 3.98Å; I44-L48 HydrophobicContact CG2-CG 4.42Å; I44-L48 WeakPolarHBondContact O-CG 3.31Å; I44-L48 PolarHBondContact O-N 3.46Å; V45-L48 PolarHBondContact O-N 2.93Å; T46-L48 PolarHBondContact O-N 3.28Å; L48-S52 WeakPolarHBondContact O-CB 3.33Å; L48-S52 PolarHBondContact O-N 2.9Å; L48-S52 PolarHBondContact O-OG 3.35Å |
| 49 | L | 97.6 | Very high | 95.8 | Very high | 109 Ų | 109 | 84.1 Ų | 84.1 | 57% | 0.571 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.8 | -47.1 | 174.2 | -71.7 | 171 | 0 | 0 | 0 | 111.3 | V45 T46 L51 S52 V53 | V45-L49 HydrophobicContact CG1-CD1 4.03Å; V45-L49 HydrophobicContact CG1-CG 4.46Å; V45-L49 VanDerWaalsContact O-CG 3.31Å; V45-L49 WeakPolarHBondContact O-CG 3.31Å; V45-L49 PolarHBondContact O-N 3.43Å; T46-L49 PolarHBondContact O-N 3.17Å; L49-L51 PolarHBondContact O-N 2.7Å; L49-S52 WeakPolarHBondContact O-CB 3.22Å; L49-S52 PolarHBondContact O-N 3.47Å; L49-V53 WeakPolarHBondContact O-CG2 3.26Å; L49-V53 PolarHBondContact O-N 3.3Å |
| 50 | L | 97.9 | Very high | 95.1 | Very high | 117 Ų | 117 | 82.8 Ų | 82.8 | 61% | 0.613 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.4 | -42.2 | 176.2 | -70.9 | 172.6 | 0 | 0 | 0 | 112 | T46 S52 V53 L54 | T46-L50 HydrophobicContact CG2-CD1 4.15Å; T46-L50 WeakPolarHBondContact O-CB 3.38Å; T46-L50 VanDerWaalsContact O-CG 3.31Å; T46-L50 WeakPolarHBondContact O-CG 3.45Å; T46-L50 PolarHBondContact O-N 3.18Å; L50-S52 VanDerWaalsContact C-N 3.35Å; L50-V53 PolarHBondContact O-N 2.86Å; L50-L54 WeakPolarHBondContact O-CB 3.4Å; L50-L54 PolarHBondContact O-N 3.34Å |
| 51 | L | 97.6 | Very high | 94.4 | Very high | 90 Ų | 90 | 82.7 Ų | 82.7 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63 | -41 | 174.3 | -179.2 | 61.7 | 0 | 0 | 0 | 111.7 | G47 L49 L54 L55 | G47-L51 VanDerWaalsContact O-CB 3.29Å; G47-L51 WeakPolarHBondContact O-CB 3.4Å; G47-L51 PolarHBondContact O-N 3.19Å; L49-L51 PolarHBondContact O-N 2.7Å; L51-L54 PolarHBondContact O-N 2.9Å; L51-L55 HydrophobicContact CD1-CD1 4.24Å; L51-L55 HydrophobicContact CD1-CG 4.24Å; L51-L55 HydrophobicContact CG-CD1 4.03Å; L51-L55 HydrophobicContact CG-CG 4.45Å; L51-L55 WeakPolarHBondContact O-CB 3.31Å; L51-L55 VanDerWaalsContact O-CG 3.25Å; L51-L55 WeakPolarHBondContact O-CG 3.36Å; L51-L55 PolarHBondContact O-N 3.23Å |
| 52 | S | 96.8 | Very high | 93.3 | Very high | 75 Ų | 75 | 89.7 Ų | 89.7 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65 | -42.5 | 177.7 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | L48 L49 L50 L55 G56 | L48-S52 WeakPolarHBondContact O-CB 3.33Å; L48-S52 PolarHBondContact O-N 2.9Å; L48-S52 PolarHBondContact O-OG 3.35Å; L49-S52 WeakPolarHBondContact O-CB 3.22Å; L49-S52 PolarHBondContact O-N 3.47Å; L50-S52 VanDerWaalsContact C-N 3.35Å; S52-L55 PolarHBondContact O-N 2.87Å; S52-G56 PolarHBondContact O-N 3.45Å |
| 53 | V | 97.2 | Very high | 91.6 | Very high | 90 Ų | 90 | 85.9 Ų | 85.9 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 173.3 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | L49 L50 L55 G56 L57 | L49-V53 WeakPolarHBondContact O-CG2 3.26Å; L49-V53 PolarHBondContact O-N 3.3Å; L50-V53 PolarHBondContact O-N 2.86Å; V53-L55 PolarHBondContact O-N 3.24Å; V53-G56 PolarHBondContact O-N 2.73Å; V53-L57 HydrophobicContact CG1-CD1 4.02Å; V53-L57 HydrophobicContact CG1-CG 4.42Å; V53-L57 WeakPolarHBondContact O-CG 3.48Å; V53-L57 PolarHBondContact O-N 3.08Å |
| 54 | L | 96.8 | Very high | 89.7 | Confident | 101 Ų | 101 | 87.7 Ų | 87.7 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 178.3 | -175.9 | 63.9 | 0 | 0 | 0 | 111.9 | L50 L51 L57 C58 | L50-L54 WeakPolarHBondContact O-CB 3.4Å; L50-L54 PolarHBondContact O-N 3.34Å; L51-L54 PolarHBondContact O-N 2.9Å; L54-L57 PolarHBondContact O-N 2.91Å; L54-C58 WeakPolarHBondContact O-CB 3.46Å; L54-C58 PolarHBondContact O-N 3.14Å; L54-C58 PolarHBondContact O-SG 2.86Å |
| 55 | L | 95.6 | Very high | 87.6 | Confident | 108 Ų | 108 | 91.4 Ų | 91.4 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.5 | -40.7 | 175.4 | -71.9 | 171.8 | 0 | 0 | 0 | 111.9 | L51 S52 V53 C58 A59 | L51-L55 HydrophobicContact CD1-CD1 4.24Å; L51-L55 HydrophobicContact CD1-CG 4.24Å; L51-L55 HydrophobicContact CG-CD1 4.03Å; L51-L55 HydrophobicContact CG-CG 4.45Å; L51-L55 WeakPolarHBondContact O-CB 3.31Å; L51-L55 VanDerWaalsContact O-CG 3.25Å; L51-L55 WeakPolarHBondContact O-CG 3.36Å; L51-L55 PolarHBondContact O-N 3.23Å; S52-L55 PolarHBondContact O-N 2.87Å; V53-L55 PolarHBondContact O-N 3.24Å; L55-C58 PolarHBondContact O-N 3.11Å; L55-A59 WeakPolarHBondContact O-CB 3.24Å; L55-A59 PolarHBondContact O-N 3.2Å |
| 56 | G | 93.2 | Very high | 85.4 | Confident | 37 Ų | 37 | 95.3 Ų | 95.3 | 38% | 0.381 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S52 V53 S60 | S52-G56 PolarHBondContact O-N 3.45Å; V53-G56 PolarHBondContact O-N 2.73Å; G56-S60 WeakPolarHBondContact O-CB 3.28Å; G56-S60 PolarHBondContact O-N 3.26Å; G56-S60 PolarHBondContact O-OG 3.3Å |
| 57 | L | 94.3 | Very high | 83 | Confident | 102 Ų | 102 | 96.3 Ų | 96.3 | 53% | 0.534 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.4 | -45.8 | 172.1 | -69.2 | 171.6 | 0 | 0 | 0 | 111.3 | V53 L54 A59 S60 C61 | V53-L57 HydrophobicContact CG1-CD1 4.02Å; V53-L57 HydrophobicContact CG1-CG 4.42Å; V53-L57 WeakPolarHBondContact O-CG 3.48Å; V53-L57 PolarHBondContact O-N 3.08Å; L54-L57 PolarHBondContact O-N 2.91Å; L57-A59 VanDerWaalsContact C-N 3.33Å; L57-A59 PolarHBondContact O-N 3.32Å; L57-S60 CarbonylContact O-C 3.53Å; L57-S60 WeakPolarHBondContact O-CA 3.18Å; L57-S60 WeakPolarHBondContact O-CB 3.31Å; L57-S60 PolarHBondContact O-N 2.91Å; L57-S60 VanDerWaalsContact O-N 3.08Å; L57-C61 PolarHBondContact O-N 3.22Å; L57-C61 PolarHBondContact O-SG 2.82Å |
| 58 | C | 89.8 | Confident | 80.8 | Confident | 71 Ų | 71 | 101.2 Ų | 101.2 | 48% | 0.48 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62 | -37.7 | 176.3 | -69.1 | 0 | 0 | 0 | 0 | 113.2 | L54 L55 C61 R62 | L54-C58 WeakPolarHBondContact O-CB 3.46Å; L54-C58 PolarHBondContact O-N 3.14Å; L54-C58 PolarHBondContact O-SG 2.86Å; L55-C58 PolarHBondContact O-N 3.11Å; C58-C61 PolarHBondContact O-N 3.19Å; C58-R62 PolarHBondContact O-N 3.49Å |
| 59 | A | 86.7 | Confident | 78.5 | Confident | 60 Ų | 60 | 103.6 Ų | 103.6 | 50% | 0.496 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.4 | -41.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L55 L57 C61 R62 G63 | L55-A59 WeakPolarHBondContact O-CB 3.24Å; L55-A59 PolarHBondContact O-N 3.2Å; L57-A59 VanDerWaalsContact C-N 3.33Å; L57-A59 PolarHBondContact O-N 3.32Å; A59-C61 PolarHBondContact O-N 3.48Å; A59-R62 WeakPolarHBondContact O-CB 3.34Å; A59-R62 PolarHBondContact O-N 3.43Å; A59-R62 VanDerWaalsContact O-N 3.09Å; A59-G63 PolarHBondContact O-N 2.9Å |
| 60 | S | 80.2 | Confident | 76.4 | Confident | 60 Ų | 60 | 100 Ų | 100 | 42% | 0.42 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.9 | -37.7 | 175.2 | -56.8 | 0 | 0 | 0 | 0 | 112.3 | G56 L57 R62 G63 Q64 | G56-S60 WeakPolarHBondContact O-CB 3.28Å; G56-S60 PolarHBondContact O-N 3.26Å; G56-S60 PolarHBondContact O-OG 3.3Å; L57-S60 CarbonylContact O-C 3.53Å; L57-S60 WeakPolarHBondContact O-CA 3.18Å; L57-S60 WeakPolarHBondContact O-CB 3.31Å; L57-S60 PolarHBondContact O-N 2.91Å; L57-S60 VanDerWaalsContact O-N 3.08Å; S60-R62 PolarHBondContact O-N 3.32Å; S60-G63 CarbonylContact O-C 3.59Å; S60-G63 PolarHBondContact O-N 2.87Å; S60-G63 VanDerWaalsContact O-N 3.08Å; S60-Q64 WeakPolarHBondContact O-CG 3.47Å; S60-Q64 PolarHBondContact O-N 3.47Å |
| 61 | C | 80.6 | Confident | 73.8 | Confident | 79 Ų | 79 | 99.6 Ų | 99.6 | 53% | 0.534 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.7 | -28.5 | 172.6 | -63.3 | 0 | 0 | 0 | 0 | 113 | L57 C58 A59 | L57-C61 PolarHBondContact O-N 3.22Å; L57-C61 PolarHBondContact O-SG 2.82Å; C58-C61 PolarHBondContact O-N 3.19Å; A59-C61 PolarHBondContact O-N 3.48Å |
| 62 | R | 71.1 | Confident | 71.3 | Confident | 216 Ų | 216 | 101.8 Ų | 101.8 | 82% | 0.815 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -75.5 | -39.2 | 170.1 | -70.9 | -175.7 | 168 | -147 | -2.2 | 111.7 | C58 A59 S60 | C58-R62 PolarHBondContact O-N 3.49Å; A59-R62 WeakPolarHBondContact O-CB 3.34Å; A59-R62 PolarHBondContact O-N 3.43Å; A59-R62 VanDerWaalsContact O-N 3.09Å; S60-R62 PolarHBondContact O-N 3.32Å |
| 63 | G | 60.7 | Low | 69 | Low | 33 Ų | 33 | 102.5 Ų | 102.5 | 34% | 0.34 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.3 | -42.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | A59 S60 K65 K66 V67 | A59-G63 PolarHBondContact O-N 2.9Å; S60-G63 CarbonylContact O-C 3.59Å; S60-G63 PolarHBondContact O-N 2.87Å; S60-G63 VanDerWaalsContact O-N 3.08Å; G63-K65 VanDerWaalsContact C-N 3.29Å; G63-K65 PolarHBondContact O-N 2.9Å; G63-K66 CarbonylContact O-C 3.6Å; G63-K66 WeakPolarHBondContact O-CA 3.08Å; G63-K66 PolarHBondContact O-N 3.42Å; G63-V67 PolarHBondContact O-N 2.92Å |
| 64 | Q | 57.8 | Low | 66.6 | Low | 120 Ų | 120 | 102 Ų | 102 | 56% | 0.561 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.5 | -32.6 | -178 | -76.4 | 176.9 | -11.5 | 0 | 0 | 113.1 | S60 K66 V67 I68 | S60-Q64 WeakPolarHBondContact O-CG 3.47Å; S60-Q64 PolarHBondContact O-N 3.47Å; Q64-K66 PolarHBondContact O-N 2.91Å; Q64-V67 PolarHBondContact O-N 3.29Å; Q64-I68 WeakPolarHBondContact O-CB 3.36Å; Q64-I68 WeakPolarHBondContact O-CG1 3.27Å; Q64-I68 PolarHBondContact O-N 3.06Å |
| 65 | K | 54.1 | Low | 64.2 | Low | 174 Ų | 174 | 104.5 Ų | 104.5 | 76% | 0.757 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.8 | -19.1 | 171 | -79 | -172.7 | 173.4 | -177.1 | 0 | 114 | G63 | G63-K65 VanDerWaalsContact C-N 3.29Å; G63-K65 PolarHBondContact O-N 2.9Å |
| 66 | K | 51.7 | Low | 62 | Low | 158 Ų | 158 | 104.8 Ų | 104.8 | 69% | 0.687 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -95.4 | -32.3 | 174.3 | -160.3 | 177.5 | -179.1 | -173.1 | 0 | 112.4 | G63 Q64 N69 G70 | G63-K66 CarbonylContact O-C 3.6Å; G63-K66 WeakPolarHBondContact O-CA 3.08Å; G63-K66 PolarHBondContact O-N 3.42Å; Q64-K66 PolarHBondContact O-N 2.91Å; K66-N69 CarbonylContact O-C 3.59Å; K66-G70 WeakPolarHBondContact O-CA 3.32Å; K66-G70 PolarHBondContact O-N 2.89Å |
| 67 | V | 47.7 | Very low | 60 | Low | 85 Ų | 85 | 112.4 Ų | 112.4 | 52% | 0.515 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -78.1 | -32.7 | 179.7 | 178.4 | 0 | 0 | 0 | 0 | 112.9 | G63 Q64 N69 G70 | G63-V67 PolarHBondContact O-N 2.92Å; Q64-V67 PolarHBondContact O-N 3.29Å; V67-N69 VanDerWaalsContact C-N 3.3Å; V67-N69 PolarHBondContact O-N 3.45Å; V67-G70 CarbonylContact O-C 3.37Å; V67-G70 PolarHBondContact O-N 2.93Å |
| 68 | I | 51.6 | Low | 58 | Low | 141 Ų | 141 | 114.6 Ų | 114.6 | 72% | 0.723 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -29.3 | 174.7 | -67.5 | 169 | 0 | 0 | 0 | 111.8 | Q64 | Q64-I68 WeakPolarHBondContact O-CB 3.36Å; Q64-I68 WeakPolarHBondContact O-CG1 3.27Å; Q64-I68 PolarHBondContact O-N 3.06Å |
| 69 | N | 50.5 | Low | 56.2 | Low | 149 Ų | 149 | 117 Ų | 117 | 80% | 0.797 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 5.4 | 177 | -68.6 | 4.7 | 0 | 0 | 0 | 113 | K66 V67 | K66-N69 CarbonylContact O-C 3.59Å; V67-N69 VanDerWaalsContact C-N 3.3Å; V67-N69 PolarHBondContact O-N 3.45Å |
| 70 | G | 53.5 | Low | 54.2 | Low | 33 Ų | 33 | 120.6 Ų | 120.6 | 34% | 0.34 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -154 | 72.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | K66 V67 | K66-G70 WeakPolarHBondContact O-CA 3.32Å; K66-G70 PolarHBondContact O-N 2.89Å; V67-G70 CarbonylContact O-C 3.37Å; V67-G70 PolarHBondContact O-N 2.93Å |
| 71 | T | 43.2 | Very low | 52.8 | Low | 110 Ų | 110 | 126.2 Ų | 126.2 | 68% | 0.675 | 69% | 0.687 | S | S | * | * | | | trans | 40.9 | 121.2 | 156.3 | 33 | 0 | 0 | 0 | 0 | 118.8 | T73 | T71-T73 WeakPolarHBondContact CB-OG1 3.17Å; T71-T73 PolarHBondContact O-N 3.12Å |
| 72 | T | 45.3 | Very low | 51.2 | Low | 136 Ų | 136 | 125.3 Ų | 125.3 | 83% | 0.834 | 69% | 0.69 | S | S | * | * | | | trans | -64.1 | 67.2 | 150.8 | 51.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 73 | T | 48.2 | Very low | 50 | Low | 89 Ų | 89 | 122.3 Ų | 122.3 | 55% | 0.546 | 70% | 0.696 | S | S | . | * | | | trans | -109.7 | 68.5 | 173.6 | -59 | 0 | 0 | 0 | 0 | 108.9 | T71 Q76 | T71-T73 WeakPolarHBondContact CB-OG1 3.17Å; T71-T73 PolarHBondContact O-N 3.12Å; T73-Q76 HydrophobicContact CG2-CB 4.49Å |
| 74 | G | 45.2 | Very low | 49.2 | Very low | 80 Ų | 80 | 126.4 Ų | 126.4 | 83% | 0.825 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -120 | 2.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 75 | D | 47.9 | Very low | 48.6 | Very low | 153 Ų | 153 | 129 Ų | 129 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -143.1 | 43.4 | -179 | -170 | 22.3 | 0 | 0 | 0 | 109.9 | | |
| 76 | Q | 48.8 | Very low | 48.1 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 53% | 0.533 | 73% | 0.73 | S | S | . | * | | | trans | -148.3 | 38.9 | 175.6 | -124.5 | -168.4 | 19.9 | 0 | 0 | 113.2 | T73 N78 | T73-Q76 HydrophobicContact CG2-CB 4.49Å; Q76-N78 PolarHBondContact O-N 3.22Å; Q76-N78 VanDerWaalsContact O-N 3.14Å |
| 77 | E | 52 | Low | 47.8 | Very low | 198 Ų | 198 | 129.9 Ų | 129.9 | 93% | 0.925 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 8.8 | 172.5 | 64.7 | -169.7 | 135.3 | 0 | 0 | 114.1 | | |
| 78 | N | 51.4 | Low | 47.5 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.2 | 23.7 | -174.8 | -154.9 | -7.4 | 0 | 0 | 0 | 114.9 | Q76 | Q76-N78 PolarHBondContact O-N 3.22Å; Q76-N78 VanDerWaalsContact O-N 3.14Å |
| 79 | L | 51.9 | Low | 46.8 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 64% | 0.639 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -137.2 | 142.3 | 161.3 | -80.9 | 102.1 | 0 | 0 | 0 | 111.6 | | |
| 80 | V | 45.4 | Very low | 46 | Very low | 134 Ų | 134 | 129.8 Ų | 129.8 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | | | trans | 59.4 | 86.2 | 176.7 | -58 | 0 | 0 | 0 | 0 | 116.6 | G82 | V80-G82 VanDerWaalsContact C-N 3.33Å; V80-G82 PolarHBondContact O-N 2.74Å |
| 81 | N | 50 | Low | 45.1 | Very low | 179 Ų | 179 | 136 Ų | 136 | 96% | 0.957 | 77% | 0.767 | S | S | * | * | | | trans | -40.8 | 93.5 | 146.7 | -169.8 | 75.5 | 0 | 0 | 0 | 111.1 | | |
| 82 | G | 46.5 | Very low | 44.6 | Very low | 59 Ų | 59 | 136.8 Ų | 136.8 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | | | trans | -143.9 | 131.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | V80 S84 | V80-G82 VanDerWaalsContact C-N 3.33Å; V80-G82 PolarHBondContact O-N 2.74Å; G82-S84 PolarHBondContact O-N 3.14Å |
| 83 | V | 45.9 | Very low | 44.3 | Very low | 153 Ų | 153 | 136 Ų | 136 | 93% | 0.927 | 77% | 0.771 | S | S | * | * | | | trans | -64.5 | 106.3 | -172.8 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 84 | S | 43.8 | Very low | 43.5 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | | | trans | -99.5 | 115.1 | 166.3 | -168.3 | 0 | 0 | 0 | 0 | 108.8 | G82 | G82-S84 PolarHBondContact O-N 3.14Š|
| 85 | E | 45.8 | Very low | 42.8 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 148.4 | -175.4 | 60.4 | -163.5 | 128.7 | 0 | 0 | 112.8 | E87 | E85-E87 PolarHBondContact O-N 2.85Š|
| 86 | K | 44.4 | Very low | 42.7 | Very low | 167 Ų | 167 | 137 Ų | 137 | 73% | 0.726 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 120.4 | -174.6 | 67 | -176 | 176 | 54.6 | 0 | 111.9 | M88 | K86-M88 HydrophobicContact CD-CG 4.45Å; K86-M88 PolarHBondContact NZ-SD 2.89Å |
| 87 | E | 44.1 | Very low | 42 | Very low | 184 Ų | 184 | 137.6 Ų | 137.6 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 117.1 | 154.3 | -73.8 | -158.9 | 120.5 | 0 | 0 | 108.8 | E85 V89 | E85-E87 PolarHBondContact O-N 2.85Å; E87-V89 PolarHBondContact O-N 3.31Å |
| 88 | M | 41.4 | Very low | 41.2 | Very low | 139 Ų | 139 | 135 Ų | 135 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 117 | 178.7 | -73.7 | 170.5 | 71.2 | 0 | 0 | 110.1 | K86 S90 | K86-M88 HydrophobicContact CD-CG 4.45Å; K86-M88 PolarHBondContact NZ-SD 2.89Å; M88-S90 PolarHBondContact O-N 3.47Å |
| 89 | V | 37.8 | Very low | 40.4 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | trans | -58.3 | 108.9 | 166 | 174.9 | 0 | 0 | 0 | 0 | 109.2 | E87 Q91 | E87-V89 PolarHBondContact O-N 3.31Å; V89-Q91 HydrophobicContact CG1-CG 3.89Å |
| 90 | S | 33.2 | Very low | 39.5 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -110.7 | 80.8 | 167.8 | -70.8 | 0 | 0 | 0 | 0 | 109.3 | M88 S92 | M88-S90 PolarHBondContact O-N 3.47Å; S90-S92 PolarHBondContact O-N 2.89Å |
| 91 | Q | 35.6 | Very low | 39.1 | Very low | 163 Ų | 163 | 131.9 Ų | 131.9 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | -71 | 103.8 | 164.6 | -74.1 | 177.2 | -7.1 | 0 | 0 | 108.6 | V89 V93 | V89-Q91 HydrophobicContact CG1-CG 3.89Å; Q91-V93 PolarHBondContact O-N 3.36Å |
| 92 | S | 32 | Very low | 38.4 | Very low | 126 Ų | 126 | 130 Ų | 130 | 88% | 0.881 | 78% | 0.776 | S | S | * | * | | | trans | -83.2 | 99.1 | 166.7 | -168.3 | 0 | 0 | 0 | 0 | 108.9 | S90 | S90-S92 PolarHBondContact O-N 2.89Š|
| 93 | V | 39.3 | Very low | 37.6 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | | | trans | -73.5 | 137.1 | 171.3 | 172.2 | 0 | 0 | 0 | 0 | 109.1 | Q91 | Q91-V93 PolarHBondContact O-N 3.36Š|
| 94 | D | 30.9 | Very low | 37 | Very low | 141 Ų | 141 | 130 Ų | 130 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | | | trans | -87.3 | 122.2 | -179.7 | -164 | -43.4 | 0 | 0 | 0 | 111.1 | | |
| 95 | S | 30.7 | Very low | 36.9 | Very low | 94 Ų | 94 | 129.6 Ų | 129.6 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | | | trans | 66.1 | 165.7 | 162.6 | -66.6 | 0 | 0 | 0 | 0 | 117.5 | | |
| 96 | P | 46.3 | Very low | 36.4 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | cis | -136.2 | 171.7 | 9.4 | 43.5 | -26.8 | 0 | 0 | 0 | 117.7 | | |
| 97 | V | 33.3 | Very low | 36.1 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | trans | 64.8 | 110.3 | 147.7 | 170.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 98 | T | 35.3 | Very low | 35.9 | Very low | 144 Ų | 144 | 122.2 Ų | 122.2 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | | | | -161.8 | 152.9 | 107.7 | 13.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 99 | D | 35.7 | Very low | 36.4 | Very low | 157 Ų | 157 | 121.1 Ų | 121.1 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | | | trans | -115.2 | 169.8 | -175.4 | -165.6 | -6.7 | 0 | 0 | 0 | 109.8 | | |
| 100 | A | 33.1 | Very low | 36.5 | Very low | 89 Ų | 89 | 123 Ų | 123 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | trans | 84.3 | 147.5 | 157.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 101 | A | 36.2 | Very low | 36.9 | Very low | 92 Ų | 92 | 124.7 Ų | 124.7 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | | | trans | 82.3 | 100.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 102 | V | 35.4 | Very low | 37.2 | Very low | 140 Ų | 140 | 123 Ų | 123 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | | | cis | 81.1 | 135.4 | 48.1 | -179.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 103 | S | 30.5 | Very low | 37.6 | Very low | 104 Ų | 104 | 120 Ų | 120 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | 83.5 | 117.2 | 170.2 | -129.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 104 | S | 33.3 | Very low | 37.5 | Very low | 107 Ų | 107 | 120.7 Ų | 120.7 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | cis | 108.6 | 162.1 | 29.9 | 85 | 0 | 0 | 0 | 0 | 112.9 | | |
| 105 | S | 39.9 | Very low | 38 | Very low | 111 Ų | 111 | 121.1 Ų | 121.1 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | trans | 79.4 | 110.3 | -172.2 | -158.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 106 | H | 36.5 | Very low | 38.2 | Very low | 154 Ų | 154 | 123.9 Ų | 123.9 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | | | cis | 95.4 | 111.7 | 36.7 | -167.2 | 58.8 | 0 | 0 | 0 | 113.9 | | |
| 107 | N | 37.6 | Very low | 37.9 | Very low | 140 Ų | 140 | 123.3 Ų | 123.3 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | | | trans | 67.2 | 136.9 | 164.8 | -58.4 | -18.5 | 0 | 0 | 0 | 121.3 | | |
| 108 | G | 39.3 | Very low | 38.1 | Very low | 76 Ų | 76 | 123.2 Ų | 123.2 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | | | trans | 147.8 | 104.3 | 152.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 109 | P | 52.3 | Low | 38 | Very low | 116 Ų | 116 | 122.5 Ų | 122.5 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | | | trans | -104.5 | 159.5 | 177.7 | 39 | -33 | 0 | 0 | 0 | 114.1 | | |
| 110 | L | 41.3 | Very low | 38.1 | Very low | 164 Ų | 164 | 123.1 Ų | 123.1 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | | | trans | 72.6 | 127.3 | 168.7 | -45.4 | 177.3 | 0 | 0 | 0 | 117.4 | | |
| 111 | T | 40.2 | Very low | 38.2 | Very low | 145 Ų | 145 | 125.8 Ų | 125.8 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | | | | -173.2 | 145.2 | 109 | 48.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 112 | S | 41.9 | Very low | 38.1 | Very low | 128 Ų | 128 | 127 Ų | 127 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | | | trans | -77.4 | 152.3 | 177.4 | -46.9 | 0 | 0 | 0 | 0 | 114 | | |
| 113 | G | 41.6 | Very low | 37.9 | Very low | 64 Ų | 64 | 125 Ų | 125 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | | | trans | 175.3 | 93.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 114 | T | 36.8 | Very low | 38.7 | Very low | 132 Ų | 132 | 126 Ų | 126 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | | | | 70.4 | 101.3 | 89.5 | 54.3 | 0 | 0 | 0 | 0 | 117.1 | | |
| 115 | I | 40.3 | Very low | 38.6 | Very low | 150 Ų | 150 | 130 Ų | 130 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | 76 | 141.7 | 141.4 | 5.9 | -177.3 | 0 | 0 | 0 | 123.2 | | |
| 116 | L | 35.1 | Very low | 38.2 | Very low | 153 Ų | 153 | 133 Ų | 133 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | | | trans | 75.8 | 106.2 | 157.8 | -59.6 | 170.5 | 0 | 0 | 0 | 118.8 | | |
| 117 | S | 39.8 | Very low | 38.3 | Very low | 96 Ų | 96 | 130.7 Ų | 130.7 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | | | | 176.9 | 127.2 | 92.1 | -103.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 118 | D | 37.7 | Very low | 38.3 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 67% | 0.668 | 79% | 0.789 | S | S | * | * | | | | 62.8 | 101.8 | 128.9 | -52.2 | -43.3 | 0 | 0 | 0 | 121.5 | | |
| 119 | T | 33.7 | Very low | 38 | Very low | 130 Ų | 130 | 137 Ų | 137 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | | | | 37.4 | 118.3 | 119.5 | 62.9 | 0 | 0 | 0 | 0 | 119.4 | | |
| 120 | Q | 37.3 | Very low | 37.4 | Very low | 170 Ų | 170 | 140.2 Ų | 140.2 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | | -175.4 | 119.6 | 97.9 | -176.8 | 164.4 | -14.4 | 0 | 0 | 110.8 | | |
| 121 | D | 36.1 | Very low | 37.2 | Very low | 145 Ų | 145 | 138.8 Ų | 138.8 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | | | trans | -102.8 | 130.8 | 168.8 | 177.2 | 13.4 | 0 | 0 | 0 | 108.2 | | |
| 122 | T | 34.3 | Very low | 36.8 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | | | trans | -155.7 | 93 | 162.8 | 44.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 123 | S | 30.8 | Very low | 36.3 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 69% | 0.685 | 78% | 0.781 | S | S | * | * | | | trans | -88 | 140.1 | 159.5 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 124 | P | 46.7 | Very low | 36.1 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | | | trans | -101.1 | 112.3 | 168 | 33.5 | -25.6 | 0 | 0 | 0 | 111.9 | | |
| 125 | Q | 31 | Very low | 36.3 | Very low | 192 Ų | 192 | 140.3 Ų | 140.3 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | | | trans | -87.3 | 145.9 | 154.9 | -71.4 | -173.4 | -17.6 | 0 | 0 | 109.1 | | |
| 126 | L | 31.7 | Very low | 36.3 | Very low | 174 Ų | 174 | 140 Ų | 140 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | | | trans | -124.2 | 136.5 | 175 | -151.6 | 154.5 | 0 | 0 | 0 | 109 | | |
| 127 | S | 39.3 | Very low | 36.3 | Very low | 106 Ų | 106 | 140 Ų | 140 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | | | trans | -82.8 | 156.5 | -157.4 | 51.1 | 0 | 0 | 0 | 0 | 116 | | |
| 128 | E | 36.8 | Very low | 36.4 | Very low | 190 Ų | 190 | 146 Ų | 146 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | trans | -69.2 | -179.1 | 162.5 | -60.7 | 174.1 | 90.4 | 0 | 0 | 112 | | |
| 129 | E | 33.2 | Very low | 36.5 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | | | trans | 85.3 | 94 | 169.4 | -154.6 | 173.2 | 128.1 | 0 | 0 | 118.2 | L131 | E129-L131 HydrophobicContact CG-CD2 4.23Å; E129-L131 HydrophobicContact CG-CG 4.22Å |
| 130 | L | 40.5 | Very low | 37 | Very low | 182 Ų | 182 | 144.6 Ų | 144.6 | 95% | 0.953 | 79% | 0.792 | S | S | * | * | | | trans | -127.1 | 129.3 | 143.4 | -96.8 | 173.5 | 0 | 0 | 0 | 109.4 | | |
| 131 | L | 36.1 | Very low | 37.2 | Very low | 134 Ų | 134 | 145.2 Ų | 145.2 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | | | trans | -84.6 | 141.5 | -162.6 | -69.7 | 163.4 | 0 | 0 | 0 | 113.8 | E129 | E129-L131 HydrophobicContact CG-CD2 4.23Å; E129-L131 HydrophobicContact CG-CG 4.22Å |
| 132 | S | 32 | Very low | 37.6 | Very low | 98 Ų | 98 | 143.5 Ų | 143.5 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | | | trans | 50.1 | 121.1 | 131.2 | -157 | 0 | 0 | 0 | 0 | 120 | | |
| 133 | S | 32.2 | Very low | 38.1 | Very low | 132 Ų | 132 | 145.2 Ų | 145.2 | 92% | 0.923 | 79% | 0.79 | S | S | * | * | | | trans | -131.8 | 94.4 | 148.2 | -78.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 134 | Q | 36.8 | Very low | 39.1 | Very low | 157 Ų | 157 | 149.3 Ų | 149.3 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | trans | -80.6 | 121 | 172.5 | 177.2 | -171.2 | 73.3 | 0 | 0 | 109.4 | | |
| 135 | S | 40.9 | Very low | 39.3 | Very low | 114 Ų | 114 | 149.6 Ų | 149.6 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | | | trans | -140.9 | 98.1 | 155.8 | 65.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 136 | E | 40.9 | Very low | 40.3 | Very low | 145 Ų | 145 | 151.2 Ų | 151.2 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | | | trans | -60.4 | 148.3 | 163.8 | -64.5 | 167.4 | 64 | 0 | 0 | 110 | | |
| 137 | L | 34.8 | Very low | 41.5 | Very low | 151 Ų | 151 | 151.8 Ų | 151.8 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | | -177.1 | 112.3 | 123.5 | -96.1 | 177.3 | 0 | 0 | 0 | 111.4 | | |
| 138 | R | 41.7 | Very low | 42.9 | Very low | 222 Ų | 222 | 153.4 Ų | 153.4 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | | | trans | 4.6 | 114.2 | 156.2 | -59.7 | 178.2 | 173.1 | 82.6 | 7.1 | 117.8 | | |
| 139 | S | 40.4 | Very low | 44.1 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | | -148.4 | 137.1 | 125.5 | -164.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 140 | S | 43.8 | Very low | 45.2 | Very low | 104 Ų | 104 | 148.2 Ų | 148.2 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | -91.7 | 172.5 | 176.4 | 54.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 141 | K | 42 | Very low | 46.1 | Very low | 183 Ų | 183 | 147.3 Ų | 147.3 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | | | trans | 92.8 | 112.6 | 153.8 | -152.4 | 152.6 | -175.4 | 170.5 | 0 | 116.3 | | |
| 142 | C | 44.3 | Very low | 46.9 | Very low | 109 Ų | 109 | 146.3 Ų | 146.3 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | | | trans | -56.9 | 133.2 | 166.9 | 178.4 | 0 | 0 | 0 | 0 | 111 | | |
| 143 | H | 43.7 | Very low | 47.8 | Very low | 154 Ų | 154 | 148 Ų | 148 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | | | trans | -130.7 | 128.1 | 151.6 | -99.8 | -96 | 0 | 0 | 0 | 108.3 | D145 | H143-D145 PolarHBondContact O-N 2.84Š|
| 144 | Q | 53.4 | Low | 47.8 | Very low | 184 Ų | 184 | 145.4 Ų | 145.4 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | trans | -74.6 | 96.1 | 165.9 | -70.6 | 176.9 | -40.1 | 0 | 0 | 107.8 | | |
| 145 | D | 49.5 | Very low | 47.7 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 69% | 0.69 | 79% | 0.793 | S | S | * | * | | | trans | -128.7 | 120.5 | 162.5 | -92.3 | -54.3 | 0 | 0 | 0 | 110.6 | H143 E147 | H143-D145 PolarHBondContact O-N 2.84Å; D145-E147 VanDerWaalsContact C-N 3.26Å; D145-E147 HydrophobicContact CB-CG 4.46Å; D145-E147 PolarHBondContact O-N 2.91Å; D145-E147 VanDerWaalsContact O-N 3.14Å |
| 146 | R | 52.4 | Low | 47.6 | Very low | 227 Ų | 227 | 142.6 Ų | 142.6 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | | | trans | -84.1 | 75.1 | 173.8 | -68.1 | 172.3 | 66.8 | 162.4 | 1.6 | 107.4 | L148 | R146-L148 PolarHBondContact O-N 3.35Š|
| 147 | E | 56.1 | Low | 47.6 | Very low | 186 Ų | 186 | 141.6 Ų | 141.6 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | | | trans | -65.7 | 100.3 | 172.3 | -64.7 | -162.9 | 111 | 0 | 0 | 109 | D145 | D145-E147 VanDerWaalsContact C-N 3.26Å; D145-E147 HydrophobicContact CB-CG 4.46Å; D145-E147 PolarHBondContact O-N 2.91Å; D145-E147 VanDerWaalsContact O-N 3.14Å |
| 148 | L | 69.6 | Low | 47.7 | Very low | 140 Ų | 140 | 142.3 Ų | 142.3 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 146.4 | 171.3 | -66.8 | 174.6 | 0 | 0 | 0 | 109.2 | R146 S150 | R146-L148 PolarHBondContact O-N 3.35Å; L148-S150 PolarHBondContact O-N 3.38Å |
| 149 | P | 60.9 | Low | 47.4 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 129.6 | 174.5 | -25.1 | 34.4 | 0 | 0 | 0 | 111.6 | L151 | P149-L151 PolarHBondContact O-N 2.86Š|
| 150 | S | 57.5 | Low | 47 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 124.1 | -179.2 | 29.5 | 0 | 0 | 0 | 0 | 111.4 | L148 | L148-S150 PolarHBondContact O-N 3.38Š|
| 151 | L | 59.7 | Low | 46.7 | Very low | 162 Ų | 162 | 146.7 Ų | 146.7 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 140.3 | 174.5 | -66.1 | 173.6 | 0 | 0 | 0 | 110.8 | P149 | P149-L151 PolarHBondContact O-N 2.86Š|
| 152 | P | 53.3 | Low | 47.1 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 150.3 | 177.5 | 29.2 | -34.5 | 0 | 0 | 0 | 112.2 | | |
| 153 | P | 49.3 | Very low | 47 | Very low | 134 Ų | 134 | 143.8 Ų | 143.8 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 137.4 | -173.2 | 32.9 | -34.9 | 0 | 0 | 0 | 114.3 | | |
| 154 | G | 33.6 | Very low | 47 | Very low | 77 Ų | 77 | 141 Ų | 141 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | | | trans | 117.8 | 127.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 155 | S | 33.3 | Very low | 46.2 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | | | cis | -123.6 | 142.8 | 26.9 | 49.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 156 | A | 39.3 | Very low | 45.5 | Very low | 92 Ų | 92 | 135.2 Ų | 135.2 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 147 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 157 | P | 40.9 | Very low | 45.2 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 129.2 | 138.2 | 31.4 | -26.8 | 0 | 0 | 0 | 109.6 | | |
| 158 | M | 36.6 | Very low | 44.2 | Very low | 166 Ų | 166 | 128.2 Ų | 128.2 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 131.4 | 165.3 | -91.2 | 165.2 | 155.2 | 0 | 0 | 110.4 | | |
| 159 | E | 36.2 | Very low | 43.1 | Very low | 164 Ų | 164 | 126.9 Ų | 126.9 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | | | | 89.4 | 126.1 | 104.5 | -159.6 | 162.8 | 124.9 | 0 | 0 | 110.3 | | |
| 160 | D | 30.9 | Very low | 42.2 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | cis | -147.4 | 176.1 | 21 | -163.9 | 4 | 0 | 0 | 0 | 111.7 | | |
| 161 | R | 37.4 | Very low | 41.9 | Very low | 222 Ų | 222 | 134.2 Ų | 134.2 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | | | trans | -149.2 | 149 | -170.5 | 147.8 | -172.4 | -78.4 | -166.3 | 1.9 | 113.1 | | |
| 162 | P | 51.5 | Low | 41.7 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | | | | -113 | -156.1 | -54 | 36.2 | -14.3 | 0 | 0 | 0 | 109.2 | | |
| 163 | P | 41.7 | Very low | 41.3 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | | | | -138.9 | 165.4 | 100.8 | 38 | -27.1 | 0 | 0 | 0 | 114.5 | | |
| 164 | A | 44.4 | Very low | 41.5 | Very low | 95 Ų | 95 | 134.5 Ų | 134.5 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | -83 | 171 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 165 | S | 36.2 | Very low | 42.1 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 88% | 0.881 | 79% | 0.79 | S | S | * | * | | | trans | 92.6 | 126.1 | -169.3 | -163.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 166 | G | 35.2 | Very low | 42.3 | Very low | 65 Ų | 65 | 141.5 Ų | 141.5 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | | | cis | 134 | 127.6 | 19.7 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 167 | D | 45.3 | Very low | 42.6 | Very low | 166 Ų | 166 | 145.9 Ų | 145.9 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | | | trans | 26 | 102.1 | 176.9 | -69.3 | -22.9 | 0 | 0 | 0 | 119.1 | | |
| 168 | S | 34.6 | Very low | 42.6 | Very low | 101 Ų | 101 | 146.4 Ų | 146.4 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | trans | -155.3 | 88.3 | 145.3 | -165.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 169 | T | 48.3 | Very low | 42.8 | Very low | 112 Ų | 112 | 146.7 Ų | 146.7 | 69% | 0.687 | 79% | 0.791 | S | S | * | * | | | | 20.7 | 108.3 | 112.2 | -53 | 0 | 0 | 0 | 0 | 116.5 | | |
| 170 | Y | 41.3 | Very low | 43 | Very low | 204 Ų | 204 | 143.3 Ų | 143.3 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | | | trans | 52.8 | 85.5 | 168.3 | -50.9 | -67.5 | 0 | 0 | 0 | 118.5 | | |
| 171 | E | 51.7 | Low | 43.3 | Very low | 190 Ų | 190 | 146.9 Ų | 146.9 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | trans | -91.1 | 96.4 | 146.7 | -75.3 | -99.6 | 116.6 | 0 | 0 | 108.2 | V173 | E171-V173 PolarHBondContact O-N 2.87Š|
| 172 | V | 54.1 | Low | 43.4 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | | | trans | -71.2 | 106.6 | 177.8 | 177.7 | 0 | 0 | 0 | 0 | 109 | K174 | V172-K174 PolarHBondContact O-N 2.69Š|
| 173 | V | 45.2 | Very low | 43 | Very low | 134 Ų | 134 | 144.4 Ų | 144.4 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | trans | -65.8 | 111.3 | 167.9 | 179.3 | 0 | 0 | 0 | 0 | 107.9 | E171 E175 | E171-V173 PolarHBondContact O-N 2.87Å; V173-E175 PolarHBondContact O-N 2.92Å |
| 174 | K | 53.1 | Low | 43.4 | Very low | 163 Ų | 163 | 143.2 Ų | 143.2 | 71% | 0.709 | 78% | 0.783 | S | S | * | * | | | trans | -74.7 | 103.3 | -169.3 | -178.2 | 179.3 | 176.8 | -176.4 | 0 | 111.4 | V172 M176 | V172-K174 PolarHBondContact O-N 2.69Å; K174-M176 PolarHBondContact O-N 2.77Å; K174-M176 VanDerWaalsContact O-N 3.15Å |
| 175 | E | 47.1 | Very low | 43.8 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | | | trans | -64.8 | 102.6 | 175.4 | -63.1 | 175.6 | -145.9 | 0 | 0 | 113 | V173 | V173-E175 PolarHBondContact O-N 2.92Š|
| 176 | M | 37.9 | Very low | 44.3 | Very low | 154 Ų | 154 | 145.8 Ų | 145.8 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | | | trans | -154.2 | 123.2 | 160.9 | -58 | -175 | 166.5 | 0 | 0 | 105.2 | K174 | K174-M176 PolarHBondContact O-N 2.77Å; K174-M176 VanDerWaalsContact O-N 3.15Å |
| 177 | E | 44.9 | Very low | 45.2 | Very low | 184 Ų | 184 | 151.1 Ų | 151.1 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | S | Bend | cis | -143.2 | 141 | 28.8 | -63.5 | 173.3 | 128.6 | 0 | 0 | 112.5 | | |
| 178 | V | 41.8 | Very low | 45.4 | Very low | 134 Ų | 134 | 147.3 Ų | 147.3 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | trans | 34.7 | 117.9 | 140.8 | -165.3 | 0 | 0 | 0 | 0 | 117.5 | | |
| 179 | E | 39.3 | Very low | 46.6 | Very low | 173 Ų | 173 | 149.5 Ų | 149.5 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | | | | -149.2 | 129.3 | 51.7 | -163.2 | 149 | -166.3 | 0 | 0 | 114 | | |
| 180 | S | 41.4 | Very low | 46.5 | Very low | 93 Ų | 93 | 153.9 Ų | 153.9 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | | | trans | 15.2 | 119.5 | 163.1 | 58.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 181 | R | 37.7 | Very low | 47 | Very low | 228 Ų | 228 | 152.3 Ų | 152.3 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | | 51.1 | 130.2 | 115 | -77.1 | -174.8 | 171.1 | 115.7 | 0.2 | 118.6 | | |
| 182 | D | 39.2 | Very low | 47 | Very low | 148 Ų | 148 | 149 Ų | 149 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | | | cis | -136.7 | 166.9 | 26.7 | -85.4 | -50.5 | 0 | 0 | 0 | 114.9 | | |
| 183 | V | 42 | Very low | 46.7 | Very low | 131 Ų | 131 | 150.1 Ų | 150.1 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | trans | -88.6 | 129.8 | -178.4 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 184 | S | 49.8 | Very low | 47.3 | Very low | 97 Ų | 97 | 153 Ų | 153 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | | | trans | -165.1 | 80.6 | 148.7 | 59.2 | 0 | 0 | 0 | 0 | 111.1 | E186 | S184-E186 WeakPolarHBondContact CA-OE2 3.39Å; S184-E186 WeakPolarHBondContact CB-OE2 3.21Å |
| 185 | V | 54.1 | Low | 47.5 | Very low | 150 Ų | 150 | 154 Ų | 154 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | | | trans | -101.9 | 79.1 | 161.2 | 178.4 | 0 | 0 | 0 | 0 | 106.6 | | |
| 186 | E | 47.3 | Very low | 47.5 | Very low | 125 Ų | 125 | 152.1 Ų | 152.1 | 58% | 0.584 | 79% | 0.786 | S | S | * | * | | | trans | -108.1 | 128.2 | 167 | -72.5 | 79.8 | -174.2 | 0 | 0 | 108.5 | S184 S188 | S184-E186 WeakPolarHBondContact CA-OE2 3.39Å; S184-E186 WeakPolarHBondContact CB-OE2 3.21Å; E186-S188 VanDerWaalsContact C-N 3.35Å; E186-S188 PolarHBondContact O-N 2.97Å |
| 187 | D | 53.2 | Low | 48 | Very low | 178 Ų | 178 | 153.7 Ų | 153.7 | 95% | 0.952 | 79% | 0.788 | S | S | * | * | | | trans | -52.9 | 95.9 | 166.6 | -83.7 | -52.7 | 0 | 0 | 0 | 110.4 | | |
| 188 | S | 50.3 | Low | 47.7 | Very low | 85 Ų | 85 | 151.8 Ų | 151.8 | 59% | 0.594 | 78% | 0.784 | S | S | * | * | | | trans | -112.2 | 71.1 | 173.4 | -65.8 | 0 | 0 | 0 | 0 | 109.9 | E186 Y190 | E186-S188 VanDerWaalsContact C-N 3.35Å; E186-S188 PolarHBondContact O-N 2.97Å; S188-Y190 PolarHBondContact O-N 2.94Å; S188-Y190 VanDerWaalsContact O-N 3.08Å |
| 189 | L | 58.3 | Low | 47.6 | Very low | 148 Ų | 148 | 151.3 Ų | 151.3 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -54.2 | 114.2 | 154.7 | -150.7 | 80.5 | 0 | 0 | 0 | 106.3 | | |
| 190 | Y | 47.3 | Very low | 47.4 | Very low | 203 Ų | 203 | 148.8 Ų | 148.8 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 76.6 | 75.5 | -170.5 | -43.5 | -73.3 | 0 | 0 | 0 | 116.6 | S188 T192 | S188-Y190 PolarHBondContact O-N 2.94Å; S188-Y190 VanDerWaalsContact O-N 3.08Å; Y190-T192 PolarHBondContact O-N 3.26Å |
| 191 | E | 52 | Low | 47.2 | Very low | 172 Ų | 172 | 151 Ų | 151 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -74.6 | 109 | 158.1 | -171.3 | 171.5 | -179.2 | 0 | 0 | 110.2 | | |
| 192 | T | 51.1 | Low | 47.1 | Very low | 120 Ų | 120 | 148.3 Ų | 148.3 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | | | trans | -85.2 | 112 | 171.8 | 48 | 0 | 0 | 0 | 0 | 109.6 | Y190 K194 | Y190-T192 PolarHBondContact O-N 3.26Å; T192-K194 PolarHBondContact O-N 3.16Å |
| 193 | V | 47.8 | Very low | 47.2 | Very low | 142 Ų | 142 | 146 Ų | 146 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | | | trans | -59.9 | 110.2 | 178.4 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 194 | K | 57.4 | Low | 46.6 | Very low | 194 Ų | 194 | 147.3 Ų | 147.3 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 135.5 | 174.7 | -160.5 | 175.1 | -174.8 | 179 | 0 | 108.7 | T192 | T192-K194 PolarHBondContact O-N 3.16Š|
| 195 | E | 57.8 | Low | 45.8 | Very low | 184 Ų | 184 | 149.6 Ų | 149.6 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 137 | -163.2 | -64.6 | 171.4 | 119.7 | 0 | 0 | 115.2 | K197 | E195-K197 PolarHBondContact O-N 2.98Š|
| 196 | I | 47.6 | Very low | 44.7 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 123.1 | 166.9 | 38.4 | 171.2 | 0 | 0 | 0 | 110.5 | D198 | I196-D198 PolarHBondContact O-N 3.26Š|
| 197 | K | 47.8 | Very low | 43.8 | Very low | 186 Ų | 186 | 148.7 Ų | 148.7 | 81% | 0.809 | 79% | 0.79 | S | S | * | * | | | trans | -94.3 | 90.5 | 179 | 178.4 | -177.1 | 174.8 | 176.7 | 0 | 109.8 | E195 T199 | E195-K197 PolarHBondContact O-N 2.98Å; K197-T199 PolarHBondContact O-N 2.85Å |
| 198 | D | 38 | Very low | 42.8 | Very low | 144 Ų | 144 | 143.8 Ų | 143.8 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | | | trans | -85.2 | 108 | 176.6 | -90.6 | -46.5 | 0 | 0 | 0 | 112.7 | I196 | I196-D198 PolarHBondContact O-N 3.26Š|
| 199 | T | 40.4 | Very low | 41.8 | Very low | 124 Ų | 124 | 145.7 Ų | 145.7 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | | | trans | -82.6 | 112.6 | 165.5 | 43.5 | 0 | 0 | 0 | 0 | 110.6 | K197 | K197-T199 PolarHBondContact O-N 2.85Š|
| 200 | S | 34 | Very low | 40.7 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | | | trans | -128.8 | 152.8 | 162.9 | 69.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 201 | V | 38.1 | Very low | 40 | Very low | 141 Ų | 141 | 144 Ų | 144 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | | | trans | -117.1 | 136.4 | -157.5 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 202 | Q | 35.3 | Very low | 39.3 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | -54.4 | 162.8 | 170.7 | -115.7 | -153.8 | 45 | 0 | 0 | 112.4 | | |
| 203 | P | 42.1 | Very low | 38.3 | Very low | 101 Ų | 101 | 141.8 Ų | 141.8 | 66% | 0.656 | 80% | 0.8 | S | S | * | * | | | cis | -156.9 | -164.9 | 46.2 | 42.1 | -18.6 | 0 | 0 | 0 | 118.2 | | |
| 204 | H | 29.7 | Very low | 38.3 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | 99.6 | 97.6 | 145.2 | -104.3 | -111.1 | 0 | 0 | 0 | 123.2 | | |
| 205 | L | 32.6 | Very low | 37.3 | Very low | 146 Ų | 146 | 139 Ų | 139 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | | | | 47 | 124.6 | 125.5 | -78.9 | 151.4 | 0 | 0 | 0 | 122.8 | | |
| 206 | A | 30.4 | Very low | 36.3 | Very low | 89 Ų | 89 | 139.2 Ų | 139.2 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | | | | 165.1 | 122.7 | 99.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 207 | N | 29.3 | Very low | 36.3 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | | | trans | 61.7 | 130 | 132.6 | -149.9 | 20.4 | 0 | 0 | 0 | 122.5 | | |
| 208 | G | 31.2 | Very low | 36.4 | Very low | 75 Ų | 75 | 133.9 Ų | 133.9 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | 166.8 | 77 | 169.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 209 | T | 30.5 | Very low | 36.5 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | -42.5 | 142.8 | 173.2 | -36.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 210 | V | 33.8 | Very low | 36.6 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 83% | 0.83 | 80% | 0.8 | S | S | * | * | | | | 172.3 | 146 | 121.9 | 159 | 0 | 0 | 0 | 0 | 111.9 | | |
| 211 | Q | 34.2 | Very low | 37 | Very low | 179 Ų | 179 | 136 Ų | 136 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | | | trans | -75.5 | 159.7 | -175.6 | -65.5 | 175 | -56.2 | 0 | 0 | 115.5 | | |
| 212 | P | 36.8 | Very low | 37.4 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -86.8 | 152 | 156.6 | 35.9 | -32.1 | 0 | 0 | 0 | 112.6 | | |
| 213 | S | 30.1 | Very low | 37.4 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | | | trans | -106.2 | 141 | 171.6 | -170.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 214 | P | 47.7 | Very low | 37.3 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 71% | 0.714 | 81% | 0.81 | S | S | * | * | | | trans | -100.2 | 131.2 | 179.1 | 35.7 | -29.8 | 0 | 0 | 0 | 112.9 | | |
| 215 | D | 36.1 | Very low | 37.7 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | | | trans | 175.6 | 108.8 | 146.5 | -103.2 | -26.5 | 0 | 0 | 0 | 111.2 | | |
| 216 | E | 36.5 | Very low | 37.9 | Very low | 189 Ų | 189 | 136.2 Ų | 136.2 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | | | trans | -167.9 | 138.4 | 138.3 | -156.1 | 158.6 | 107.5 | 0 | 0 | 110 | | |
| 217 | P | 48 | Very low | 38.1 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 71% | 0.708 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 155.5 | -175.4 | 34.1 | -35.1 | 0 | 0 | 0 | 114.1 | | |
| 218 | P | 49.2 | Very low | 38.4 | Very low | 117 Ų | 117 | 136.1 Ų | 136.1 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 142.5 | -173.3 | 31.1 | -35.9 | 0 | 0 | 0 | 113.9 | | |
| 219 | P | 39.8 | Very low | 38.7 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 140 | 173.3 | 30.3 | -33.5 | 0 | 0 | 0 | 112.7 | | |
| 220 | Q | 43.9 | Very low | 39 | Very low | 184 Ų | 184 | 137.3 Ų | 137.3 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 155.4 | 178.7 | -70.8 | -173.8 | -1.1 | 0 | 0 | 112.7 | | |
| 221 | P | 41.6 | Very low | 39.2 | Very low | 116 Ų | 116 | 137 Ų | 137 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 156.2 | -170.2 | 32 | -37.1 | 0 | 0 | 0 | 114.5 | | |
| 222 | P | 46.4 | Very low | 39.2 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 148.2 | -178.8 | 30.5 | -35 | 0 | 0 | 0 | 113.6 | | |
| 223 | A | 35.2 | Very low | 39.4 | Very low | 102 Ų | 102 | 133.1 Ų | 133.1 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 151.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 224 | L | 40.2 | Very low | 40.1 | Very low | 177 Ų | 177 | 134 Ų | 134 | 93% | 0.927 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 136.9 | 176 | -66.9 | 164.9 | 0 | 0 | 0 | 112.3 | | |
| 225 | V | 39.5 | Very low | 39.7 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 87% | 0.873 | 82% | 0.818 | S | S | * | * | | | trans | -142.7 | 146.6 | 156.5 | 112.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 226 | N | 35.9 | Very low | 39.9 | Very low | 166 Ų | 166 | 140 Ų | 140 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | | | trans | -73.2 | 144.4 | -158 | -63.3 | -50 | 0 | 0 | 0 | 115.5 | | |
| 227 | G | 35.5 | Very low | 40.1 | Very low | 69 Ų | 69 | 136.6 Ų | 136.6 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | | | trans | 175 | 41.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 228 | H | 35 | Very low | 40.1 | Very low | 184 Ų | 184 | 137.3 Ų | 137.3 | 85% | 0.852 | 81% | 0.813 | S | S | * | * | | | trans | 53.2 | 122.3 | 175.1 | -74.2 | -79.4 | 0 | 0 | 0 | 118.7 | | |
| 229 | P | 37.5 | Very low | 40 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | | | trans | -76.6 | 131.3 | -178.4 | 31.4 | -34.5 | 0 | 0 | 0 | 112.9 | | |
| 230 | S | 35.6 | Very low | 40 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | | | trans | -63.3 | 159.1 | 150.5 | -140.2 | 0 | 0 | 0 | 0 | 109.4 | C232 | S230-C232 PolarHBondContact O-N 2.91Š|
| 231 | P | 38.3 | Very low | 40.3 | Very low | 129 Ų | 129 | 139.1 Ų | 139.1 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | | | trans | -57.2 | 112.4 | -174.1 | -24.2 | 34.5 | 0 | 0 | 0 | 111.9 | T233 | P231-T233 PolarHBondContact O-N 3.37Š|
| 232 | C | 34.8 | Very low | 40.8 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | | | trans | -72 | 128.2 | 178.4 | -162.6 | 0 | 0 | 0 | 0 | 109.4 | S230 | S230-C232 PolarHBondContact O-N 2.91Š|
| 233 | T | 41.5 | Very low | 41.2 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | | | trans | -54.8 | 133.6 | 162 | 41.2 | 0 | 0 | 0 | 0 | 109.9 | P231 E235 | P231-T233 PolarHBondContact O-N 3.37Å; T233-E235 VanDerWaalsContact C-N 3.28Å; T233-E235 PolarHBondContact O-N 3.47Å |
| 234 | P | 43.4 | Very low | 42.3 | Very low | 137 Ų | 137 | 140.1 Ų | 140.1 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | | | trans | -75.7 | 82.4 | 171.9 | 31.6 | -33.1 | 0 | 0 | 0 | 110 | | |
| 235 | E | 39.5 | Very low | 42.9 | Very low | 176 Ų | 176 | 141.4 Ų | 141.4 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | | | trans | -93.6 | 105.9 | 163.1 | -169.8 | -170.8 | 177.1 | 0 | 0 | 109.2 | T233 | T233-E235 VanDerWaalsContact C-N 3.28Å; T233-E235 PolarHBondContact O-N 3.47Å |
| 236 | R | 40.1 | Very low | 43.7 | Very low | 228 Ų | 228 | 139 Ų | 139 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | -150.8 | 96.7 | 150.1 | -98.5 | -153.5 | 177.5 | 84.1 | 3.1 | 111.7 | | |
| 237 | V | 40.4 | Very low | 44.7 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 71% | 0.709 | 79% | 0.793 | S | S | * | * | | | trans | 68.8 | 137 | 142.9 | -173.9 | 0 | 0 | 0 | 0 | 116.6 | L239 | V237-L239 PolarHBondContact O-N 2.87Š|
| 238 | P | 49.7 | Very low | 46.1 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | | | trans | -69 | 123.9 | -172.9 | -16.9 | 31.6 | 0 | 0 | 0 | 112.5 | | |
| 239 | L | 45.5 | Very low | 47.6 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | | | trans | -121.2 | 110.9 | 159.6 | -72.6 | 172.6 | 0 | 0 | 0 | 107.3 | V237 | V237-L239 PolarHBondContact O-N 2.87Š|
| 240 | S | 41.7 | Very low | 48.7 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | 26.6 | 108.6 | 157.3 | 55.7 | 0 | 0 | 0 | 0 | 118.3 | G242 | S240-G242 PolarHBondContact O-N 2.78Š|
| 241 | E | 50.2 | Low | 50 | Low | 201 Ų | 201 | 140.2 Ų | 140.2 | 94% | 0.939 | 77% | 0.773 | S | S | * | * | | | trans | -1.3 | 108.2 | 144.7 | -150.3 | 75.3 | -152 | 0 | 0 | 115 | | |
| 242 | G | 52 | Low | 51 | Low | 64 Ų | 64 | 142.2 Ų | 142.2 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | | | trans | 168.6 | 72.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | S240 | S240-G242 PolarHBondContact O-N 2.78Š|
| 243 | V | 53.2 | Low | 52 | Low | 111 Ų | 111 | 144.1 Ų | 144.1 | 67% | 0.673 | 76% | 0.764 | S | S | * | * | | | trans | 58.7 | 87.1 | 149.3 | -163.9 | 0 | 0 | 0 | 0 | 117.4 | Y245 | V243-Y245 HydrophobicContact CG1-CD2 3.54Å; V243-Y245 HydrophobicContact CG1-CE2 3.22Å; V243-Y245 HydrophobicContact CG1-CG 4.43Å |
| 244 | E | 58.2 | Low | 52.8 | Low | 194 Ų | 194 | 144.4 Ų | 144.4 | 91% | 0.907 | 77% | 0.771 | S | S | * | * | | | trans | -94.2 | 102.8 | 166.1 | -169.9 | 171.5 | -160.7 | 0 | 0 | 111.7 | | |
| 245 | Y | 54.5 | Low | 53.4 | Low | 205 Ų | 205 | 146 Ų | 146 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | trans | -81.2 | 145.8 | 172.3 | -79 | -72.2 | 0 | 0 | 0 | 112.4 | V243 S247 | V243-Y245 HydrophobicContact CG1-CD2 3.54Å; V243-Y245 HydrophobicContact CG1-CE2 3.22Å; V243-Y245 HydrophobicContact CG1-CG 4.43Å; Y245-S247 PolarHBondContact O-N 3.47Å |
| 246 | A | 55.3 | Low | 53.9 | Low | 92 Ų | 92 | 144.3 Ų | 144.3 | 76% | 0.76 | 75% | 0.751 | S | S | * | * | | | trans | -58 | 130.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115 | V248 | A246-V248 PolarHBondContact O-N 2.99Š|
| 247 | S | 57.4 | Low | 54.7 | Low | 121 Ų | 121 | 139.3 Ų | 139.3 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | | | trans | -85.5 | 107.8 | 170.2 | 47.6 | 0 | 0 | 0 | 0 | 111.5 | Y245 | Y245-S247 PolarHBondContact O-N 3.47Š|
| 248 | V | 65.3 | Low | 55.4 | Low | 113 Ų | 113 | 137.6 Ų | 137.6 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | | | trans | -89.9 | 121.1 | -179.6 | -175.2 | 0 | 0 | 0 | 0 | 111.1 | A246 L250 | A246-V248 PolarHBondContact O-N 2.99Å; V248-L250 HydrophobicContact CG1-CD2 3.98Å; V248-L250 PolarHBondContact O-N 3.2Å |
| 249 | D | 65.1 | Low | 55.6 | Low | 63 Ų | 63 | 137.8 Ų | 137.8 | 34% | 0.337 | 74% | 0.743 | S | S | . | * | | | trans | -77 | 75.5 | 179.6 | -169.5 | 26.2 | 0 | 0 | 0 | 112.7 | R251 K252 | D249-R251 PolarHBondContact O-N 2.99Å; D249-R251 WeakPolarHBondContact OD1-CG 3.29Å; D249-R251 IonicContact OD1-CZ 3.13Å; D249-R251 IonicContact OD1-NE 2.77Å; D249-R251 PolarHBondContact OD1-NE 2.83Å; D249-R251 IonicContact OD1-NH2 2.97Å; D249-R251 PolarHBondContact OD1-NH2 3.49Å; D249-R251 IonicContact OD2-NE 3.52Å; D249-R251 IonicContact OD2-NH2 3.67Å; D249-K252 PolarHBondContact O-N 3.49Å; D249-K252 VanDerWaalsContact O-N 3.12Å |
| 250 | L | 61.6 | Low | 55.8 | Low | 162 Ų | 162 | 138.2 Ų | 138.2 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -9.1 | -172.9 | -66.6 | 175.9 | 0 | 0 | 0 | 116.3 | V248 | V248-L250 HydrophobicContact CG1-CD2 3.98Å; V248-L250 PolarHBondContact O-N 3.2Å |
| 251 | R | 61.9 | Low | 56.5 | Low | 213 Ų | 213 | 138 Ų | 138 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -6 | 176.1 | 52 | 171.2 | -179.4 | -128 | -15.3 | 113.8 | D249 K253 | D249-R251 PolarHBondContact O-N 2.99Å; D249-R251 WeakPolarHBondContact OD1-CG 3.29Å; D249-R251 IonicContact OD1-CZ 3.13Å; D249-R251 IonicContact OD1-NE 2.77Å; D249-R251 PolarHBondContact OD1-NE 2.83Å; D249-R251 IonicContact OD1-NH2 2.97Å; D249-R251 PolarHBondContact OD1-NH2 3.49Å; D249-R251 IonicContact OD2-NE 3.52Å; D249-R251 IonicContact OD2-NH2 3.67Å; R251-K253 VanDerWaalsContact C-N 3.34Å; R251-K253 PolarHBondContact O-N 3.36Å |
| 252 | K | 60.3 | Low | 56.4 | Low | 172 Ų | 172 | 131.4 Ų | 131.4 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -86.6 | 74.6 | 176.8 | -83.2 | 179.4 | 174.2 | 169.9 | 0 | 113.4 | D249 | D249-K252 PolarHBondContact O-N 3.49Å; D249-K252 VanDerWaalsContact O-N 3.12Å |
| 253 | K | 55.7 | Low | 56.5 | Low | 154 Ų | 154 | 137.7 Ų | 137.7 | 67% | 0.67 | 72% | 0.719 | S | S | * | * | | | trans | 70.8 | 77.2 | 138.5 | -161.8 | 169.5 | 177.4 | -176.2 | 0 | 116.5 | R251 R255 | R251-K253 VanDerWaalsContact C-N 3.34Å; R251-K253 PolarHBondContact O-N 3.36Å; K253-R255 HydrophobicContact CG-CG 3.98Å; K253-R255 PolarHBondContact O-N 3.23Å; K253-R255 VanDerWaalsContact O-N 3.11Å |
| 254 | S | 58.3 | Low | 56.6 | Low | 117 Ų | 117 | 141.3 Ų | 141.3 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | | | trans | -42 | 113.9 | 140.9 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 255 | R | 56.6 | Low | 56.1 | Low | 170 Ų | 170 | 140.5 Ų | 140.5 | 64% | 0.642 | 71% | 0.709 | S | S | * | * | | | trans | -152.4 | 104.4 | 159.6 | -78.4 | -156.5 | -178.3 | -148.2 | -3.4 | 110.4 | K253 | K253-R255 HydrophobicContact CG-CG 3.98Å; K253-R255 PolarHBondContact O-N 3.23Å; K253-R255 VanDerWaalsContact O-N 3.11Å |
| 256 | H | 49.3 | Very low | 55.6 | Low | 141 Ų | 141 | 135.6 Ų | 135.6 | 65% | 0.653 | 71% | 0.705 | S | S | * | * | | | trans | 73.2 | 113.5 | 157.2 | -34.7 | -37.4 | 0 | 0 | 0 | 113.7 | A258 | H256-A258 HydrophobicContact CB-CB 4.06Š|
| 257 | S | 55.8 | Low | 55.4 | Low | 123 Ų | 123 | 137.1 Ų | 137.1 | 86% | 0.86 | 70% | 0.7 | S | S | * | * | | | cis | 54.4 | 40.1 | 8 | 63.4 | 0 | 0 | 0 | 0 | 115.9 | | |
| 258 | A | 55.9 | Low | 54.5 | Low | 80 Ų | 80 | 138.3 Ų | 138.3 | 66% | 0.661 | 70% | 0.697 | S | S | * | * | | | trans | -155.8 | 56.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | H256 | H256-A258 HydrophobicContact CB-CB 4.06Š|
| 259 | D | 54.2 | Low | 53.2 | Low | 129 Ų | 129 | 137.8 Ų | 137.8 | 69% | 0.69 | 70% | 0.704 | S | S | * | * | | | trans | -141.9 | 52 | 168.7 | -164 | 21.1 | 0 | 0 | 0 | 113.5 | | |
| 260 | M | 49.9 | Very low | 51.8 | Low | 170 Ų | 170 | 138.6 Ų | 138.6 | 84% | 0.837 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -131.2 | -4.6 | 171.5 | -66.1 | -74.5 | -78.1 | 0 | 0 | 112.9 | R264 | M260-R264 PolarHBondContact O-NH2 3.02Š|
| 261 | E | 55.7 | Low | 51 | Low | 102 Ų | 102 | 135.9 Ų | 135.9 | 48% | 0.477 | 72% | 0.721 | S | S | . | * | S | Bend | trans | -117.8 | -22.4 | 179.8 | -169.5 | 167.3 | -167.8 | 0 | 0 | 113.5 | K263 R264 R265 | E261-K263 PolarHBondContact O-N 3.22Å; E261-K263 VanDerWaalsContact O-N 3.17Å; E261-R264 PolarHBondContact O-N 3.03Å; E261-R265 HydrophobicContact CG-CG 4.38Å; E261-R265 PolarHBondContact O-N 2.74Å; E261-R265 IonicContact OE1-CZ 3.44Å; E261-R265 IonicContact OE1-NE 2.75Å; E261-R265 PolarHBondContact OE1-NE 2.79Å; E261-R265 IonicContact OE1-NH2 3.23Å; E261-R265 PolarHBondContact OE1-NH2 2.98Å |
| 262 | A | 47.5 | Very low | 50.2 | Low | 64 Ų | 64 | 131.4 Ų | 131.4 | 53% | 0.529 | 72% | 0.719 | S | S | . | * | G | 310 helix | trans | -58.7 | -30.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R264 | A262-R264 PolarHBondContact O-N 3.37Š|
| 263 | K | 54.4 | Low | 48.8 | Very low | 195 Ų | 195 | 128.1 Ų | 128.1 | 85% | 0.848 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -78.7 | 6.9 | 177.8 | -159.5 | 161 | -178.2 | 173.6 | 0 | 114.8 | E261 | E261-K263 PolarHBondContact O-N 3.22Å; E261-K263 VanDerWaalsContact O-N 3.17Å |
| 264 | R | 54.7 | Low | 47.6 | Very low | 187 Ų | 187 | 131.9 Ų | 131.9 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -136.1 | 8.3 | 176 | -82.1 | -171.4 | -75.6 | 96.9 | 2.6 | 115 | M260 E261 A262 | M260-R264 PolarHBondContact O-NH2 3.02Å; E261-R264 PolarHBondContact O-N 3.03Å; A262-R264 PolarHBondContact O-N 3.37Å |
| 265 | R | 48.8 | Very low | 46.3 | Very low | 178 Ų | 178 | 136.2 Ų | 136.2 | 67% | 0.672 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.8 | 6.1 | -179.3 | -71.8 | -159.9 | -167.5 | -109.1 | 7 | 116.4 | E261 D267 | E261-R265 HydrophobicContact CG-CG 4.38Å; E261-R265 PolarHBondContact O-N 2.74Å; E261-R265 IonicContact OE1-CZ 3.44Å; E261-R265 IonicContact OE1-NE 2.75Å; E261-R265 PolarHBondContact OE1-NE 2.79Å; E261-R265 IonicContact OE1-NH2 3.23Å; E261-R265 PolarHBondContact OE1-NH2 2.98Å; R265-D267 VanDerWaalsContact C-N 3.26Å; R265-D267 CarbonylContact C-O 3.57Å |
| 266 | S | 44.3 | Very low | 45.5 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -69.9 | -29.9 | 167.1 | 53.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 267 | D | 49.8 | Very low | 44.8 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 66% | 0.663 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -88.2 | 131.9 | 163.7 | -56.8 | -53.8 | 0 | 0 | 0 | 108.9 | R265 | R265-D267 VanDerWaalsContact C-N 3.26Å; R265-D267 CarbonylContact C-O 3.57Å |
| 268 | N | 38.4 | Very low | 43.8 | Very low | 145 Ų | 145 | 135 Ų | 135 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 79.8 | 78.6 | 176.8 | -50.4 | -63.5 | 0 | 0 | 0 | 118.1 | | |
| 269 | A | 38.3 | Very low | 43 | Very low | 102 Ų | 102 | 139.1 Ų | 139.1 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | | | trans | 70.4 | 152.1 | 133.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 270 | A | 35.7 | Very low | 42.7 | Very low | 80 Ų | 80 | 139 Ų | 139 | 66% | 0.661 | 76% | 0.759 | S | S | * | * | | | cis | -148.2 | 140.7 | 20.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 271 | A | 46.2 | Very low | 42.8 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 87% | 0.868 | 76% | 0.759 | S | S | * | * | | | trans | -89.1 | 121.8 | 133.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 272 | P | 44.7 | Very low | 42.6 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | -100.9 | 112.6 | 178.1 | 33.6 | -28.2 | 0 | 0 | 0 | 112 | | |
| 273 | S | 30.2 | Very low | 43 | Very low | 104 Ų | 104 | 149.7 Ų | 149.7 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -152.4 | 93.7 | 149.1 | -160.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 274 | R | 31.9 | Very low | 43.8 | Very low | 232 Ų | 232 | 145.4 Ų | 145.4 | 88% | 0.875 | 79% | 0.788 | S | S | * | * | | | trans | 67.3 | 95.9 | 144.4 | -58.1 | 175.1 | 172.7 | -164.5 | -3.7 | 119.3 | | |
| 275 | K | 31.2 | Very low | 44.3 | Very low | 209 Ų | 209 | 142 Ų | 142 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | | | | -166.3 | 157.6 | 101.2 | -104 | 175.7 | 178.8 | -178.2 | 0 | 111.1 | | |
| 276 | P | 38.1 | Very low | 45.2 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | | | trans | -111.9 | 140.9 | -169.2 | 37.9 | -27.9 | 0 | 0 | 0 | 114.4 | | |
| 277 | A | 34.2 | Very low | 46.6 | Very low | 95 Ų | 95 | 140 Ų | 140 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | 175.9 | 152.4 | 132.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 278 | E | 36.5 | Very low | 47.4 | Very low | 194 Ų | 194 | 140.3 Ų | 140.3 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | | | trans | 81 | 131.4 | 161.2 | -141.1 | 152 | -167.6 | 0 | 0 | 118.6 | | |
| 279 | E | 38.2 | Very low | 48.9 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | -111.7 | 125.3 | -170.4 | 170.9 | 177.3 | -160.8 | 0 | 0 | 107.8 | | |
| 280 | P | 49 | Very low | 50.1 | Low | 125 Ų | 125 | 143.8 Ų | 143.8 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | | | trans | -87.6 | 113.6 | 169.8 | 26.5 | -18.2 | 0 | 0 | 0 | 109.6 | | |
| 281 | E | 50.6 | Low | 51.3 | Low | 180 Ų | 180 | 149.1 Ų | 149.1 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 153.6 | -179.3 | -59 | 177.1 | 123.5 | 0 | 0 | 112.5 | E283 | E281-E283 PolarHBondContact O-N 3.47Š|
| 282 | E | 52.7 | Low | 51.7 | Low | 195 Ų | 195 | 150.5 Ų | 150.5 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 117.8 | 175.6 | -72.8 | -177.1 | 120.4 | 0 | 0 | 111.3 | P284 | E282-P284 WeakPolarHBondContact O-CD 3.37Š|
| 283 | E | 55.6 | Low | 52.1 | Low | 187 Ų | 187 | 152.9 Ų | 152.9 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 119 | 173.4 | -170.6 | 173.9 | -163.7 | 0 | 0 | 110.2 | E281 | E281-E283 PolarHBondContact O-N 3.47Š|
| 284 | P | 70.1 | Confident | 53.6 | Low | 104 Ų | 104 | 154.1 Ų | 154.1 | 68% | 0.675 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 152 | 179 | 29.8 | -34.7 | 0 | 0 | 0 | 111.2 | E282 | E282-P284 WeakPolarHBondContact O-CD 3.37Š|
| 285 | P | 65.9 | Low | 55.2 | Low | 116 Ų | 116 | 151.7 Ų | 151.7 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 145.4 | -176.5 | 25.5 | -35 | 0 | 0 | 0 | 112.2 | | |
| 286 | P | 67.6 | Low | 56.3 | Low | 117 Ų | 117 | 147.7 Ų | 147.7 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 137.2 | -175.2 | 24 | -34.1 | 0 | 0 | 0 | 111.7 | V288 | P286-V288 PolarHBondContact O-N 3.23Š|
| 287 | P | 72.9 | Confident | 57 | Low | 120 Ų | 120 | 147.5 Ų | 147.5 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 131.5 | -174.4 | 27.4 | -34.4 | 0 | 0 | 0 | 112 | P289 | P287-P289 WeakPolarHBondContact O-CD 3.21Š|
| 288 | V | 66.6 | Low | 57.5 | Low | 132 Ų | 132 | 150.5 Ų | 150.5 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 121.5 | 175.8 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | P286 K290 | P286-V288 PolarHBondContact O-N 3.23Å; V288-K290 PolarHBondContact O-N 3.2Å |
| 289 | P | 71.3 | Confident | 57.8 | Low | 114 Ų | 114 | 149.4 Ų | 149.4 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 129.5 | 176.8 | -23.9 | 35.3 | 0 | 0 | 0 | 112 | P287 | P287-P289 WeakPolarHBondContact O-CD 3.21Š|
| 290 | K | 62.7 | Low | 58.1 | Low | 205 Ų | 205 | 147 Ų | 147 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 143.2 | 177.6 | -63.8 | 176.5 | -178 | 175.3 | 0 | 110.1 | V288 | V288-K290 PolarHBondContact O-N 3.2Š|
| 291 | K | 60.3 | Low | 57.7 | Low | 193 Ų | 193 | 145 Ų | 145 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 161.9 | -176 | -57.7 | -174 | 176.4 | -176 | 0 | 113.1 | | |
| 292 | V | 54.7 | Low | 57.1 | Low | 133 Ų | 133 | 143.1 Ų | 143.1 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | | | trans | 65.9 | 128.2 | 159.4 | -54.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 293 | L | 53.7 | Low | 56.4 | Low | 169 Ų | 169 | 141.7 Ų | 141.7 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | | | | -144.3 | 157.5 | 93.8 | -98.7 | 170.9 | 0 | 0 | 0 | 111 | | |
| 294 | D | 61.5 | Low | 55.3 | Low | 131 Ų | 131 | 140.6 Ų | 140.6 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | | | trans | -87 | 139 | 175.7 | 156.8 | 38 | 0 | 0 | 0 | 109.3 | N296 | D294-N296 PolarHBondContact OD1-N 2.86Š|
| 295 | E | 64.9 | Low | 53.3 | Low | 180 Ų | 180 | 138.7 Ų | 138.7 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | | | trans | -145.4 | 58.2 | 169.8 | -145.7 | 166.6 | 118 | 0 | 0 | 110.7 | D297 | E295-D297 VanDerWaalsContact C-N 3.31Å; E295-D297 PolarHBondContact O-N 3.4Å |
| 296 | N | 54.8 | Low | 51.7 | Low | 125 Ų | 125 | 138.6 Ų | 138.6 | 67% | 0.668 | 78% | 0.776 | S | S | * | * | | | trans | -63.4 | 97.3 | 150.3 | 174.6 | 90.5 | 0 | 0 | 0 | 109.1 | D294 | D294-N296 PolarHBondContact OD1-N 2.86Š|
| 297 | D | 54.1 | Low | 50.3 | Low | 117 Ų | 117 | 141.9 Ų | 141.9 | 63% | 0.626 | 78% | 0.781 | S | S | * | * | | | trans | 172.3 | 125.6 | 131.8 | -92.2 | -28.9 | 0 | 0 | 0 | 109.3 | E295 | E295-D297 VanDerWaalsContact C-N 3.31Å; E295-D297 PolarHBondContact O-N 3.4Å |
| 298 | N | 42.7 | Very low | 48.4 | Very low | 158 Ų | 158 | 139.2 Ų | 139.2 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | | | trans | 160.8 | 75.5 | 147.8 | -82.8 | -45.5 | 0 | 0 | 0 | 111.8 | | |
| 299 | Q | 44.2 | Very low | 46.8 | Very low | 171 Ų | 171 | 139.5 Ų | 139.5 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | | | trans | -87.7 | 147.7 | 140.4 | -79.4 | -81.5 | -18.9 | 0 | 0 | 106.2 | | |
| 300 | P | 43.3 | Very low | 44.8 | Very low | 116 Ų | 116 | 137 Ų | 137 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | | | | -148.7 | 166.8 | 52.8 | 40 | -20 | 0 | 0 | 0 | 118.4 | | |
| 301 | A | 41.3 | Very low | 43.6 | Very low | 81 Ų | 81 | 135.4 Ų | 135.4 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | | | trans | 14.1 | 139 | 145.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 302 | V | 38.3 | Very low | 42.2 | Very low | 141 Ų | 141 | 131.7 Ų | 131.7 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | | | | 175.8 | 159.6 | 126.4 | 148.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 303 | M | 37.6 | Very low | 41.4 | Very low | 166 Ų | 166 | 132.2 Ų | 132.2 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | 96.9 | 94.5 | 165.9 | -158 | 76 | 147.7 | 0 | 0 | 117.7 | | |
| 304 | N | 32.8 | Very low | 40.5 | Very low | 164 Ų | 164 | 128 Ų | 128 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | | | trans | -84.6 | 156.5 | 151.4 | -76.1 | -61.3 | 0 | 0 | 0 | 110.1 | | |
| 305 | G | 29.1 | Very low | 39.1 | Very low | 63 Ų | 63 | 130.2 Ų | 130.2 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | | | trans | 90.5 | 162.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 306 | V | 32 | Very low | 37.8 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 70% | 0.697 | 77% | 0.765 | S | S | * | * | | | cis | -165.1 | 152.5 | -1.8 | 87.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 307 | E | 37.3 | Very low | 36.7 | Very low | 186 Ų | 186 | 128.7 Ų | 128.7 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | | | trans | 60.3 | 155.1 | 162.9 | -68.3 | 152.8 | -159.9 | 0 | 0 | 118.7 | | |
| 308 | G | 32.8 | Very low | 35.5 | Very low | 64 Ų | 64 | 128.9 Ų | 128.9 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | | | cis | 171.7 | -170.8 | -2.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 309 | S | 33.1 | Very low | 35 | Very low | 137 Ų | 137 | 129.3 Ų | 129.3 | 96% | 0.958 | 78% | 0.783 | S | S | * | * | | | trans | 69.5 | 128.7 | -179.5 | -58.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 310 | G | 30.4 | Very low | 34.4 | Very low | 63 Ų | 63 | 126.9 Ų | 126.9 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | | | cis | 157.8 | 167.1 | -9.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 311 | L | 36 | Very low | 34.3 | Very low | 170 Ų | 170 | 127 Ų | 127 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | | | trans | 67.7 | 138.2 | 154.9 | -55 | 179.4 | 0 | 0 | 0 | 117.7 | | |
| 312 | D | 31.8 | Very low | 35 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 62% | 0.615 | 79% | 0.791 | S | S | * | * | | | cis | -161.5 | 178 | -8.6 | 60.2 | 46 | 0 | 0 | 0 | 113.5 | | |
| 313 | N | 37.2 | Very low | 35.3 | Very low | 144 Ų | 144 | 127.8 Ų | 127.8 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | | | trans | 42.2 | 122.8 | 150.9 | -49.1 | -36.5 | 0 | 0 | 0 | 119.5 | | |
| 314 | G | 35.1 | Very low | 34.9 | Very low | 80 Ų | 80 | 127.2 Ų | 127.2 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | | 109.1 | 149.7 | 62 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 315 | E | 33 | Very low | 35.1 | Very low | 178 Ų | 178 | 126.7 Ų | 126.7 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | | | cis | -156.3 | 140.8 | 8.2 | -179.7 | 174 | 96.6 | 0 | 0 | 109.4 | | |
| 316 | L | 36.4 | Very low | 35.3 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | | | trans | 9.5 | 136.4 | 153.7 | -45.9 | 169.8 | 0 | 0 | 0 | 120.1 | | |
| 317 | T | 33.4 | Very low | 35.4 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | | 172.9 | 141.3 | 99.2 | 34.6 | 0 | 0 | 0 | 0 | 116.7 | | |
| 318 | S | 28.9 | Very low | 35.3 | Very low | 120 Ų | 120 | 132.5 Ų | 132.5 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | | | trans | 79.5 | 143.7 | 141 | -68 | 0 | 0 | 0 | 0 | 123.6 | | |
| 319 | L | 31.4 | Very low | 36 | Very low | 167 Ų | 167 | 134.5 Ų | 134.5 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | -109 | 145.4 | -174.3 | -59.3 | 143.2 | 0 | 0 | 0 | 110.7 | | |
| 320 | S | 30.4 | Very low | 36 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | | | | 171.8 | 160.1 | 127.1 | -79.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 321 | P | 41.3 | Very low | 36.3 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | trans | -110.9 | -164.6 | -169.3 | 47 | -35 | 0 | 0 | 0 | 112.9 | | |
| 322 | P | 57.5 | Low | 36.2 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | | | trans | -95.5 | 173.7 | -145.6 | 40.5 | -41.6 | 0 | 0 | 0 | 117.3 | | |
| 323 | P | 43.2 | Very low | 36.6 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | | | | -136.3 | 178 | 122.2 | 15.7 | 7.1 | 0 | 0 | 0 | 112.6 | | |
| 324 | E | 30.1 | Very low | 36.9 | Very low | 155 Ų | 155 | 137.5 Ų | 137.5 | 72% | 0.724 | 77% | 0.768 | S | S | * | * | | | cis | -178.7 | 176.3 | -28 | -167.1 | 161 | -126.5 | 0 | 0 | 108.4 | | |
| 325 | F | 36.7 | Very low | 37.3 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | | | trans | 71.6 | 104.8 | 170.7 | -65 | -74.5 | 0 | 0 | 0 | 119 | | |
| 326 | E | 33.3 | Very low | 38 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | | | | 94 | 136.4 | 84.7 | -87.4 | -171.9 | 164 | 0 | 0 | 111.4 | | |
| 327 | D | 34.1 | Very low | 38.7 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | | | cis | -129.3 | 155 | 27.3 | -80.2 | -61.4 | 0 | 0 | 0 | 116.2 | | |
| 328 | H | 35.3 | Very low | 38.9 | Very low | 184 Ų | 184 | 140.5 Ų | 140.5 | 85% | 0.852 | 77% | 0.766 | S | S | * | * | | | trans | -96.9 | -168.7 | 162.7 | -91.2 | -17.8 | 0 | 0 | 0 | 109.8 | | |
| 329 | P | 47.3 | Very low | 39.7 | Very low | 107 Ų | 107 | 140 Ų | 140 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | | | cis | -129.2 | 167.3 | -21.6 | 22.5 | 0.2 | 0 | 0 | 0 | 113.8 | | |
| 330 | Q | 34.2 | Very low | 40.1 | Very low | 171 Ų | 171 | 138 Ų | 138 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | | | | 176.4 | 125 | 106.1 | -88.5 | -169.6 | -94.7 | 0 | 0 | 108.9 | | |
| 331 | S | 36.4 | Very low | 40.3 | Very low | 77 Ų | 77 | 137.5 Ų | 137.5 | 54% | 0.538 | 75% | 0.749 | S | S | . | * | | | | 65.7 | 125.8 | 69.7 | 136.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 332 | D | 33.4 | Very low | 40.4 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | | | cis | -145.2 | 157.4 | -4.1 | -81.5 | -54.1 | 0 | 0 | 0 | 112.2 | | |
| 333 | N | 39.5 | Very low | 39.7 | Very low | 144 Ų | 144 | 142.8 Ų | 142.8 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | | | trans | -57.1 | 121.9 | 157 | 43.6 | -89.8 | 0 | 0 | 0 | 113 | | |
| 334 | E | 43.5 | Very low | 39.6 | Very low | 170 Ų | 170 | 143.8 Ų | 143.8 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | | | trans | -151 | 121.2 | 145.1 | 53.1 | -175.3 | 154.8 | 0 | 0 | 113.2 | | |
| 335 | S | 44.8 | Very low | 39.7 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | | | trans | -94.7 | 117.1 | 153.9 | -61.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 336 | P | 46.8 | Very low | 39.6 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | | | trans | -104.6 | 129.7 | 156.5 | 4.2 | 15.7 | 0 | 0 | 0 | 110 | | |
| 337 | L | 51 | Low | 39.6 | Very low | 147 Ų | 147 | 138.9 Ų | 138.9 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | trans | -68.8 | 157.2 | 164.6 | -66.6 | 116.2 | 0 | 0 | 0 | 110.7 | | |
| 338 | Y | 38.5 | Very low | 39.7 | Very low | 217 Ų | 217 | 140.2 Ų | 140.2 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | | | trans | 79.7 | 130.5 | 166 | -61.6 | -79.7 | 0 | 0 | 0 | 120.1 | | |
| 339 | S | 44.8 | Very low | 39.7 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | | | trans | 74 | 109.1 | 145.6 | -159.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 340 | T | 39.6 | Very low | 39.2 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 77% | 0.767 | 76% | 0.756 | S | S | * | * | | | | -164.5 | 137.3 | 99.7 | -68.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 341 | V | 35.5 | Very low | 39.6 | Very low | 111 Ų | 111 | 135 Ų | 135 | 67% | 0.673 | 75% | 0.746 | S | S | * | * | | | trans | -100.8 | 109.5 | -174.1 | -173.5 | 0 | 0 | 0 | 0 | 111.1 | K343 | V341-K343 VanDerWaalsContact C-N 3.33Å; V341-K343 HydrophobicContact CG1-CB 4.05Å; V341-K343 HydrophobicContact CG1-CD 4.05Å; V341-K343 HydrophobicContact CG1-CG 3.73Å; V341-K343 PolarHBondContact O-N 2.91Å; V341-K343 VanDerWaalsContact O-N 3.17Å |
| 342 | N | 43.8 | Very low | 40 | Very low | 161 Ų | 161 | 139.1 Ų | 139.1 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | | | trans | -86.3 | 72.8 | 166.6 | -76.5 | -10.6 | 0 | 0 | 0 | 110.7 | T344 | N342-T344 PolarHBondContact O-N 2.75Š|
| 343 | K | 42.2 | Very low | 40.1 | Very low | 186 Ų | 186 | 140.8 Ų | 140.8 | 81% | 0.809 | 77% | 0.765 | S | S | * | * | | | trans | -83.5 | 102.3 | 168.5 | -97.3 | 177.8 | 176.2 | 175.9 | 0 | 109.4 | V341 N345 | V341-K343 VanDerWaalsContact C-N 3.33Å; V341-K343 HydrophobicContact CG1-CB 4.05Å; V341-K343 HydrophobicContact CG1-CD 4.05Å; V341-K343 HydrophobicContact CG1-CG 3.73Å; V341-K343 PolarHBondContact O-N 2.91Å; V341-K343 VanDerWaalsContact O-N 3.17Å; K343-N345 PolarHBondContact O-N 2.8Å |
| 344 | T | 40.3 | Very low | 40.6 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 87% | 0.871 | 77% | 0.769 | S | S | * | * | | | trans | -64.5 | 119.3 | 159.6 | 24 | 0 | 0 | 0 | 0 | 109 | N342 C346 | N342-T344 PolarHBondContact O-N 2.75Å; T344-C346 PolarHBondContact O-N 2.92Å |
| 345 | N | 32.5 | Very low | 40.5 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | -61.9 | 113.9 | 177.2 | 177.8 | -13.9 | 0 | 0 | 0 | 111.1 | K343 N347 | K343-N345 PolarHBondContact O-N 2.8Å; N345-N347 PolarHBondContact OD1-OD1 3.08Å |
| 346 | C | 34.8 | Very low | 40.9 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 75% | 0.75 | 76% | 0.761 | S | S | * | * | | | | -148.5 | 91.6 | 127.9 | -149.3 | 0 | 0 | 0 | 0 | 109.4 | T344 | T344-C346 PolarHBondContact O-N 2.92Š|
| 347 | N | 33.8 | Very low | 41.1 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 65% | 0.652 | 76% | 0.76 | S | S | * | * | | | trans | 29.1 | 127.3 | 148.2 | -43.6 | -58.1 | 0 | 0 | 0 | 118.1 | N345 | N345-N347 PolarHBondContact OD1-OD1 3.08Š|
| 348 | Q | 35.4 | Very low | 40.7 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | cis | -168.1 | 119.1 | 14.5 | -176.6 | 169.2 | -2.1 | 0 | 0 | 106.4 | | |
| 349 | A | 35.8 | Very low | 41.4 | Very low | 73 Ų | 73 | 145.2 Ų | 145.2 | 60% | 0.603 | 76% | 0.76 | S | S | * | * | | | | 44.5 | 126.9 | 105.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 350 | F | 37.3 | Very low | 41.2 | Very low | 197 Ų | 197 | 145.8 Ų | 145.8 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | | | cis | -144.8 | 162.4 | 31 | -78.1 | -94.4 | 0 | 0 | 0 | 113.8 | | |
| 351 | S | 42 | Very low | 41.6 | Very low | 83 Ų | 83 | 144.9 Ų | 144.9 | 58% | 0.58 | 76% | 0.763 | S | S | * | * | | | trans | -97.6 | 166.3 | 158.3 | 53.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 352 | E | 45.1 | Very low | 42.4 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | | | trans | 56.9 | 105.4 | 165.8 | -66 | 128.1 | 149 | 0 | 0 | 117.4 | | |
| 353 | D | 35.6 | Very low | 42.6 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | | | | -156.1 | 149.6 | 107.7 | -101.4 | -36.5 | 0 | 0 | 0 | 109.7 | K355 | D353-K355 PolarHBondContact O-N 2.85Š|
| 354 | D | 49.8 | Very low | 42.8 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | | | trans | -59.9 | 118.7 | 172.6 | -75.2 | -55.1 | 0 | 0 | 0 | 110.3 | | |
| 355 | K | 40.8 | Very low | 43.3 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | | | trans | -147.6 | 75.9 | 160.4 | -154.8 | 165 | -174.5 | 177.2 | 0 | 112.1 | D353 H357 | D353-K355 PolarHBondContact O-N 2.85Å; K355-H357 HydrophobicContact CG-CB 4.45Å; K355-H357 PolarHBondContact O-N 2.75Å; K355-H357 VanDerWaalsContact O-N 3.16Å |
| 356 | E | 53.3 | Low | 44 | Very low | 166 Ų | 166 | 145.7 Ų | 145.7 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | -41.2 | 114.8 | 130.6 | 48.8 | -177.5 | 156.8 | 0 | 0 | 109.1 | | |
| 357 | H | 50.4 | Low | 44.6 | Very low | 144 Ų | 144 | 143.4 Ų | 143.4 | 67% | 0.667 | 76% | 0.758 | S | S | * | * | | | trans | 174.4 | 145.9 | 145.9 | -84.1 | -39.5 | 0 | 0 | 0 | 110.9 | K355 | K355-H357 HydrophobicContact CG-CB 4.45Å; K355-H357 PolarHBondContact O-N 2.75Å; K355-H357 VanDerWaalsContact O-N 3.16Å |
| 358 | D | 44.1 | Very low | 45 | Very low | 130 Ų | 130 | 145.1 Ų | 145.1 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | | | trans | 74.1 | 88 | 158.6 | -51.6 | -23.8 | 0 | 0 | 0 | 119 | S360 | D358-S360 PolarHBondContact O-N 2.86Š|
| 359 | Y | 51.4 | Low | 45.8 | Very low | 234 Ų | 234 | 142.9 Ų | 142.9 | 92% | 0.918 | 76% | 0.763 | S | S | * | * | | | trans | -10.3 | 97.3 | 134 | -78.6 | -100.1 | 0 | 0 | 0 | 114.1 | | |
| 360 | S | 42.4 | Very low | 46.2 | Very low | 120 Ų | 120 | 144 Ų | 144 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | | | trans | -95.9 | 85.3 | 161.1 | -68.5 | 0 | 0 | 0 | 0 | 107.4 | D358 | D358-S360 PolarHBondContact O-N 2.86Š|
| 361 | S | 48.1 | Very low | 46.4 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | | | | 70.4 | 108.3 | 84.2 | -170.7 | 0 | 0 | 0 | 0 | 110.7 | A363 | S361-A363 PolarHBondContact O-N 3.21Š|
| 362 | I | 50.7 | Low | 46.3 | Very low | 152 Ų | 152 | 143.5 Ų | 143.5 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | | | trans | -66.4 | 126.3 | -178 | -149.6 | 164.7 | 0 | 0 | 0 | 108.7 | E364 | I362-E364 PolarHBondContact O-N 3.29Š|
| 363 | A | 48.3 | Very low | 46.1 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | | | trans | -66.5 | 109.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111 | S361 I365 | S361-A363 PolarHBondContact O-N 3.21Å; A363-I365 PolarHBondContact O-N 3.38Å |
| 364 | E | 47.2 | Very low | 46.9 | Very low | 161 Ų | 161 | 138.4 Ų | 138.4 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | | | trans | 16.4 | 84.4 | 158.5 | -60.2 | -171.6 | 170.8 | 0 | 0 | 116.8 | I362 K366 | I362-E364 PolarHBondContact O-N 3.29Å; E364-K366 PolarHBondContact O-N 3.12Å |
| 365 | I | 50.9 | Low | 47 | Very low | 152 Ų | 152 | 135.1 Ų | 135.1 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | | | trans | -73.5 | 83.5 | 161.2 | -47.9 | 176.6 | 0 | 0 | 0 | 108 | A363 G367 | A363-I365 PolarHBondContact O-N 3.38Å; I365-G367 PolarHBondContact O-N 3.33Å |
| 366 | K | 45.8 | Very low | 47.7 | Very low | 191 Ų | 191 | 135 Ų | 135 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | | | trans | -75.5 | 85.1 | -173.8 | -163.5 | 168.3 | -169.1 | 159.3 | 0 | 112 | E364 | E364-K366 PolarHBondContact O-N 3.12Š|
| 367 | G | 48.7 | Very low | 47.7 | Very low | 63 Ų | 63 | 134.7 Ų | 134.7 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | | | trans | 109.2 | 76.4 | 150.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | I365 | I365-G367 PolarHBondContact O-N 3.33Š|
| 368 | I | 42.5 | Very low | 47.5 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | | | trans | -131.4 | 116.2 | 134 | -48.9 | 177.6 | 0 | 0 | 0 | 106.9 | P370 | I368-P370 WeakPolarHBondContact O-CD 3.24Š|
| 369 | V | 52.3 | Low | 48 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | | | trans | -94.5 | 111.5 | 169.8 | 173.1 | 0 | 0 | 0 | 0 | 108.1 | N371 | V369-N371 WeakPolarHBondContact CG1-OD1 3.44Š|
| 370 | P | 43.6 | Very low | 47.9 | Very low | 97 Ų | 97 | 131.3 Ų | 131.3 | 63% | 0.63 | 78% | 0.775 | S | S | * | * | | | trans | -91.3 | 137.3 | 136.3 | 33.1 | -26.5 | 0 | 0 | 0 | 108.4 | I368 S372 | I368-P370 WeakPolarHBondContact O-CD 3.24Å; P370-S372 PolarHBondContact O-N 3.3Å |
| 371 | N | 41 | Very low | 48.1 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | trans | -68.3 | 104.3 | 171.6 | -72.3 | 16 | 0 | 0 | 0 | 108.6 | V369 S373 | V369-N371 WeakPolarHBondContact CG1-OD1 3.44Å; N371-S373 VanDerWaalsContact C-N 3.31Å; N371-S373 PolarHBondContact O-N 2.81Å |
| 372 | S | 40.5 | Very low | 48 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | | | trans | -67.1 | 89.9 | 170.9 | -61.4 | 0 | 0 | 0 | 0 | 110.4 | P370 | P370-S372 PolarHBondContact O-N 3.3Š|
| 373 | S | 41.7 | Very low | 47.7 | Very low | 101 Ų | 101 | 134.8 Ų | 134.8 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | trans | -79.6 | 120.3 | 153.2 | -172.2 | 0 | 0 | 0 | 0 | 107.2 | N371 S375 | N371-S373 VanDerWaalsContact C-N 3.31Å; N371-S373 PolarHBondContact O-N 2.81Å; S373-S375 PolarHBondContact O-N 3.35Å |
| 374 | S | 52.1 | Low | 47.8 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -66.6 | 99.3 | -178.8 | 51.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 375 | S | 52.2 | Low | 47.5 | Very low | 90 Ų | 90 | 140.1 Ų | 140.1 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | | | trans | -152.3 | 5.1 | -179.6 | -163.5 | 0 | 0 | 0 | 0 | 116.4 | S373 L377 | S373-S375 PolarHBondContact O-N 3.35Å; S375-L377 PolarHBondContact O-N 2.79Å |
| 376 | D | 55.3 | Low | 47 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 45.8 | -171 | -63.3 | -20.3 | 0 | 0 | 0 | 113.8 | | |
| 377 | L | 51.8 | Low | 46.8 | Very low | 161 Ų | 161 | 137.2 Ų | 137.2 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | 2.6 | 174.6 | -92.7 | 169.8 | 0 | 0 | 0 | 114.4 | S375 | S375-L377 PolarHBondContact O-N 2.79Š|
| 378 | Y | 46.8 | Very low | 46.3 | Very low | 209 Ų | 209 | 139.9 Ų | 139.9 | 82% | 0.82 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -131.6 | 127.5 | 173.3 | -65.4 | -81.9 | 0 | 0 | 0 | 110 | T380 | Y378-T380 PolarHBondContact O-N 2.87Š|
| 379 | A | 54 | Low | 45.9 | Very low | 100 Ų | 100 | 139.6 Ų | 139.6 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | | | trans | -68 | 119.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | V381 | A379-V381 PolarHBondContact O-N 3.02Å; A379-V381 VanDerWaalsContact O-N 3.12Å |
| 380 | T | 49.7 | Very low | 45.4 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | | | trans | -66.7 | 108.8 | 171.9 | 30.2 | 0 | 0 | 0 | 0 | 109.7 | Y378 H382 | Y378-T380 PolarHBondContact O-N 2.87Å; T380-H382 PolarHBondContact O-N 3.02Å |
| 381 | V | 47.2 | Very low | 45 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | | | trans | -68.2 | 122.7 | 166.4 | -177.8 | 0 | 0 | 0 | 0 | 107.2 | A379 D383 | A379-V381 PolarHBondContact O-N 3.02Å; A379-V381 VanDerWaalsContact O-N 3.12Å; V381-D383 PolarHBondContact O-N 3.18Å |
| 382 | H | 46.3 | Very low | 44.8 | Very low | 158 Ų | 158 | 144.3 Ų | 144.3 | 73% | 0.731 | 80% | 0.802 | S | S | * | * | | | trans | -72.1 | 122.1 | 173.5 | -76.6 | -74.6 | 0 | 0 | 0 | 109.9 | T380 I384 | T380-H382 PolarHBondContact O-N 3.02Å; H382-I384 VanDerWaalsContact O-CG1 3.24Å; H382-I384 WeakPolarHBondContact O-CG1 3.12Å; H382-I384 PolarHBondContact O-N 3.4Å |
| 383 | D | 44.4 | Very low | 44.4 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | | | trans | -59.2 | 115.7 | 167.8 | -81.4 | -43.6 | 0 | 0 | 0 | 110.2 | V381 | V381-D383 PolarHBondContact O-N 3.18Š|
| 384 | I | 50.1 | Low | 44 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | | | trans | -98.8 | 9.6 | 177.6 | -31.6 | -175.9 | 0 | 0 | 0 | 111.5 | H382 | H382-I384 VanDerWaalsContact O-CG1 3.24Å; H382-I384 WeakPolarHBondContact O-CG1 3.12Å; H382-I384 PolarHBondContact O-N 3.4Å |
| 385 | Y | 40.4 | Very low | 43 | Very low | 216 Ų | 216 | 146.2 Ų | 146.2 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | | | trans | -124.8 | 84.4 | -179.5 | -73.3 | -78.1 | 0 | 0 | 0 | 112.1 | Q387 | Y385-Q387 PolarHBondContact O-N 2.99Š|
| 386 | A | 40.7 | Very low | 42 | Very low | 97 Ų | 97 | 150.5 Ų | 150.5 | 80% | 0.802 | 82% | 0.822 | S | S | * | * | | | trans | -65.7 | 119.5 | 151.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 387 | Q | 41.7 | Very low | 41.7 | Very low | 184 Ų | 184 | 147.4 Ų | 147.4 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | -55.3 | 148 | 174 | -82.4 | -179.1 | -40.7 | 0 | 0 | 111.9 | Y385 | Y385-Q387 PolarHBondContact O-N 2.99Š|
| 388 | P | 37.9 | Very low | 41.2 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | | | | -126.6 | 150.9 | 127.2 | 35.3 | -28.2 | 0 | 0 | 0 | 113 | | |
| 389 | D | 34.2 | Very low | 40.9 | Very low | 152 Ų | 152 | 144 Ų | 144 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | | | trans | -52.7 | 150.8 | -168.5 | -55.8 | -74.9 | 0 | 0 | 0 | 118 | | |
| 390 | E | 40.9 | Very low | 40.1 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | | | trans | -66.6 | 164.4 | 162.3 | -65.6 | -175.8 | 102.2 | 0 | 0 | 112.7 | | |
| 391 | P | 36.4 | Very low | 39.8 | Very low | 127 Ų | 127 | 146.4 Ų | 146.4 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | | | | -129.2 | 139.2 | 119.8 | 35.8 | -30.2 | 0 | 0 | 0 | 114.6 | | |
| 392 | Q | 36.8 | Very low | 39.8 | Very low | 173 Ų | 173 | 145.4 Ų | 145.4 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | | | trans | -63.8 | 149.4 | 177.5 | -60.4 | 173.6 | -27.7 | 0 | 0 | 114.2 | | |
| 393 | A | 32.3 | Very low | 39.7 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 88% | 0.884 | 81% | 0.814 | S | S | * | * | | | | -177.8 | 131.9 | 126.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 394 | G | 32.5 | Very low | 40.2 | Very low | 74 Ų | 74 | 143.3 Ų | 143.3 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | | | trans | 129 | 100.4 | 150.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 395 | E | 30.8 | Very low | 40 | Very low | 201 Ų | 201 | 137.9 Ų | 137.9 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | | | trans | 55.6 | 116.8 | 148.7 | -65.6 | -179.6 | 119.1 | 0 | 0 | 122.2 | | |
| 396 | E | 32.6 | Very low | 40.1 | Very low | 180 Ų | 180 | 138.3 Ų | 138.3 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | | | trans | -95.9 | 170.9 | 148.9 | -127.4 | -150.7 | 141.6 | 0 | 0 | 108.7 | | |
| 397 | P | 49.3 | Very low | 40.9 | Very low | 99 Ų | 99 | 142.7 Ų | 142.7 | 64% | 0.643 | 80% | 0.801 | S | S | * | * | | | cis | -126.8 | -164 | -22.3 | 47 | -31.4 | 0 | 0 | 0 | 109.7 | | |
| 398 | P | 39.3 | Very low | 41.7 | Very low | 124 Ų | 124 | 139 Ų | 139 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | | | | -134.8 | 165.8 | 56 | 35.9 | -16.6 | 0 | 0 | 0 | 115.7 | | |
| 399 | M | 42 | Very low | 42.7 | Very low | 175 Ų | 175 | 140.9 Ų | 140.9 | 86% | 0.862 | 80% | 0.798 | S | S | * | * | | | trans | -45.1 | 138.8 | 172.5 | -62.1 | 164.5 | 166.5 | 0 | 0 | 114.6 | | |
| 400 | D | 35.8 | Very low | 44 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | | | | -151.6 | 119.8 | 126.6 | -109.9 | -29.1 | 0 | 0 | 0 | 110.5 | S402 | D400-S402 PolarHBondContact O-N 3.14Å; D400-S402 VanDerWaalsContact O-N 3.14Å |
| 401 | S | 44.9 | Very low | 45 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | -79.3 | 93.7 | -178.7 | 54.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 402 | S | 47 | Very low | 45.3 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | | | trans | -96.2 | 89.4 | 167.7 | -67.4 | 0 | 0 | 0 | 0 | 110 | D400 | D400-S402 PolarHBondContact O-N 3.14Å; D400-S402 VanDerWaalsContact O-N 3.14Å |
| 403 | D | 42.8 | Very low | 45.9 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | | | trans | -53 | 123 | 169.3 | 177.1 | 26.7 | 0 | 0 | 0 | 110.5 | G405 | D403-G405 PolarHBondContact O-N 2.84Š|
| 404 | P | 56.3 | Low | 46.1 | Very low | 135 Ų | 135 | 146.1 Ų | 146.1 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | | | trans | -76.1 | 45.3 | 175.5 | 33.2 | -35.1 | 0 | 0 | 0 | 111.9 | | |
| 405 | G | 46.6 | Very low | 46.5 | Very low | 37 Ų | 37 | 148.3 Ų | 148.3 | 38% | 0.381 | 80% | 0.801 | S | S | . | * | | | trans | -93.9 | 101 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D403 | D403-G405 PolarHBondContact O-N 2.84Š|
| 406 | Y | 41.7 | Very low | 46.7 | Very low | 225 Ų | 225 | 144.2 Ų | 144.2 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | | | trans | 59 | 98.3 | 162.7 | -57.6 | -87.1 | 0 | 0 | 0 | 117.4 | S408 | Y406-S408 PolarHBondContact O-N 3.38Š|
| 407 | E | 57.8 | Low | 46.9 | Very low | 188 Ų | 188 | 140 Ų | 140 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | | | trans | -62.1 | 120.3 | 162.2 | 55.6 | -178.3 | 154.3 | 0 | 0 | 111.5 | I409 | E407-I409 PolarHBondContact O-N 3.06Š|
| 408 | S | 57 | Low | 46.3 | Very low | 107 Ų | 107 | 142 Ų | 142 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | | | trans | -73.8 | 112.2 | -176 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | Y406 R410 | Y406-S408 PolarHBondContact O-N 3.38Å; S408-R410 PolarHBondContact O-N 3.21Å |
| 409 | I | 60.7 | Low | 46.2 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 82% | 0.821 | 79% | 0.79 | S | S | * | * | | | trans | -62.8 | 106.4 | 177.4 | -57 | 174.8 | 0 | 0 | 0 | 110 | E407 I411 | E407-I409 PolarHBondContact O-N 3.06Å; I409-I411 PolarHBondContact O-N 3.48Å |
| 410 | R | 61.2 | Low | 46 | Very low | 231 Ų | 231 | 141.2 Ų | 141.2 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | | | trans | -85.7 | 102 | 176.6 | -72.9 | -171.7 | -84.8 | -158.4 | -5.2 | 110.7 | S408 P412 | S408-R410 PolarHBondContact O-N 3.21Å; R410-P412 WeakPolarHBondContact O-CD 2.98Å |
| 411 | I | 60.4 | Low | 46.1 | Very low | 147 Ų | 147 | 142 Ų | 142 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | trans | -66.6 | 121.8 | 173.4 | -54.9 | 173.4 | 0 | 0 | 0 | 109.2 | I409 K413 | I409-I411 PolarHBondContact O-N 3.48Å; I411-K413 PolarHBondContact O-N 3.23Å |
| 412 | P | 43.6 | Very low | 45.5 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | | | trans | -68.4 | 114.8 | 176 | -18.3 | 32.2 | 0 | 0 | 0 | 110.8 | R410 T414 | R410-P412 WeakPolarHBondContact O-CD 2.98Å; P412-T414 PolarHBondContact O-N 3.15Å |
| 413 | K | 48.8 | Very low | 45.1 | Very low | 205 Ų | 205 | 139.6 Ų | 139.6 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | | | trans | -69.4 | 114.8 | 168.2 | -73 | -177.7 | 177.5 | 178.9 | 0 | 108.9 | I411 | I411-K413 PolarHBondContact O-N 3.23Š|
| 414 | T | 37.5 | Very low | 44.6 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | | | trans | -65.6 | 135.4 | 168.5 | 49.8 | 0 | 0 | 0 | 0 | 109.9 | P412 | P412-T414 PolarHBondContact O-N 3.15Š|
| 415 | S | 40.3 | Very low | 43.8 | Very low | 121 Ų | 121 | 139 Ų | 139 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | | | trans | -54.7 | 139.5 | -166.9 | 53.3 | 0 | 0 | 0 | 0 | 116.5 | | |
| 416 | S | 35.2 | Very low | 43.3 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -153.6 | 111.9 | 150.4 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 417 | S | 37.2 | Very low | 43.3 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 64% | 0.643 | 81% | 0.805 | S | S | * | * | | | trans | 54.3 | 109.2 | 144.3 | 171.2 | 0 | 0 | 0 | 0 | 119.6 | | |
| 418 | D | 36.5 | Very low | 43.4 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | | | trans | 83.9 | 138 | 132.1 | -51.7 | -33.3 | 0 | 0 | 0 | 123.9 | | |
| 419 | D | 36.9 | Very low | 42.6 | Very low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | | | trans | 67.9 | 111.4 | 158.2 | -59.3 | -22.5 | 0 | 0 | 0 | 122.7 | | |
| 420 | D | 38.4 | Very low | 42 | Very low | 134 Ų | 134 | 138.1 Ų | 138.1 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | | | | 18.3 | 112.6 | 129.9 | -109.3 | -41.7 | 0 | 0 | 0 | 118.1 | | |
| 421 | H | 36.6 | Very low | 42.2 | Very low | 177 Ų | 177 | 134.4 Ų | 134.4 | 82% | 0.819 | 80% | 0.801 | S | S | * | * | | | | -179.4 | 149.7 | 98.8 | -85.3 | -39.2 | 0 | 0 | 0 | 112 | | |
| 422 | G | 32.9 | Very low | 41.7 | Very low | 69 Ų | 69 | 138.3 Ų | 138.3 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | | | trans | -89.7 | 172.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 423 | A | 38.6 | Very low | 42.3 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | | | trans | 69.1 | 112.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 424 | G | 31.3 | Very low | 42.3 | Very low | 77 Ų | 77 | 137.6 Ų | 137.6 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | | | trans | 179.2 | 62 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G426 | G424-G426 PolarHBondContact O-N 3.48Š|
| 425 | N | 41.3 | Very low | 43.1 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 99% | 0.989 | 82% | 0.815 | S | S | * | * | | | trans | -71.9 | 107.7 | 172.7 | -157.9 | 30.2 | 0 | 0 | 0 | 108.9 | | |
| 426 | G | 34.8 | Very low | 43.7 | Very low | 68 Ų | 68 | 135.7 Ų | 135.7 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | | | trans | -146.9 | 134.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G424 | G424-G426 PolarHBondContact O-N 3.48Š|
| 427 | K | 42.8 | Very low | 44.6 | Very low | 203 Ų | 203 | 139.4 Ų | 139.4 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | | | trans | -73.1 | 160 | -171.4 | -81.1 | -178.1 | 173.6 | -174.8 | 0 | 114 | | |
| 428 | P | 59.7 | Low | 45.3 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | | | trans | -78.4 | -179.5 | 174.5 | 35.7 | -38.3 | 0 | 0 | 0 | 113.5 | | |
| 429 | E | 41 | Very low | 45.7 | Very low | 190 Ų | 190 | 139.4 Ų | 139.4 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | | | trans | 83.9 | 149.5 | -176.7 | -62.7 | -169.4 | 126.4 | 0 | 0 | 116.7 | | |
| 430 | P | 47.2 | Very low | 46.3 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | | | cis | -118.4 | 166.8 | 1.8 | 40.2 | -28.4 | 0 | 0 | 0 | 115 | | |
| 431 | D | 65.8 | Low | 46.6 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | | | trans | -65.7 | 135.4 | 156.7 | -74.4 | -55.2 | 0 | 0 | 0 | 110.4 | | |
| 432 | Y | 48.6 | Very low | 46.9 | Very low | 229 Ų | 229 | 140.3 Ų | 140.3 | 90% | 0.898 | 83% | 0.826 | S | S | * | * | | | trans | 164 | 161.3 | 136.7 | -107.2 | -99.7 | 0 | 0 | 0 | 110.7 | | |
| 433 | E | 55.9 | Low | 47.5 | Very low | 179 Ų | 179 | 143.9 Ų | 143.9 | 84% | 0.836 | 82% | 0.824 | S | S | * | * | | | trans | 66.7 | 92.2 | 170.5 | -61.3 | -170 | 154 | 0 | 0 | 118.8 | | |
| 434 | S | 50.2 | Low | 47.7 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 88% | 0.881 | 82% | 0.819 | S | S | * | * | | | trans | -133.5 | 85.5 | 133.1 | -170.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 435 | V | 54.5 | Low | 48.7 | Very low | 149 Ų | 149 | 148.4 Ų | 148.4 | 90% | 0.903 | 82% | 0.82 | S | S | * | * | | | trans | -98.8 | 108.9 | 165.8 | -175.3 | 0 | 0 | 0 | 0 | 107.3 | | |
| 436 | G | 51.4 | Low | 49.3 | Very low | 69 Ų | 69 | 150.9 Ų | 150.9 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | | | trans | -174 | 135.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 437 | E | 55.2 | Low | 49.6 | Very low | 192 Ų | 192 | 159.3 Ų | 159.3 | 90% | 0.897 | 84% | 0.843 | S | S | * | * | | | cis | -152.8 | 149.3 | -3.2 | -174 | 179.3 | 151.9 | 0 | 0 | 108.1 | G439 | E437-G439 PolarHBondContact O-N 3.2Š|
| 438 | L | 51.9 | Low | 49.9 | Very low | 163 Ų | 163 | 157.1 Ų | 157.1 | 85% | 0.853 | 84% | 0.841 | S | S | * | * | | | trans | -74.6 | 107 | -177.3 | -75 | 166.8 | 0 | 0 | 0 | 111.7 | | |
| 439 | G | 45.6 | Very low | 49.4 | Very low | 70 Ų | 70 | 159.2 Ų | 159.2 | 72% | 0.722 | 85% | 0.845 | S | S | * | * | | | trans | -95.2 | 22 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | E437 S441 | E437-G439 PolarHBondContact O-N 3.2Å; G439-S441 PolarHBondContact O-N 3.42Å |
| 440 | L | 49.7 | Very low | 49.9 | Very low | 170 Ų | 170 | 157.5 Ų | 157.5 | 89% | 0.89 | 84% | 0.843 | S | S | * | * | | | trans | -73.6 | 87.4 | 177.6 | -74.8 | 176.8 | 0 | 0 | 0 | 111.3 | | |
| 441 | S | 43.5 | Very low | 50.1 | Low | 109 Ų | 109 | 159.8 Ų | 159.8 | 76% | 0.762 | 85% | 0.847 | S | S | * | * | | | trans | -110.5 | 143.7 | 162.8 | 66.1 | 0 | 0 | 0 | 0 | 109.1 | G439 | G439-S441 PolarHBondContact O-N 3.42Š|
| 442 | R | 43.4 | Very low | 49.1 | Very low | 199 Ų | 199 | 160.2 Ų | 160.2 | 75% | 0.751 | 85% | 0.849 | S | S | * | * | | | cis | -170.8 | 139.6 | -14.1 | 175.3 | -176.9 | 178.2 | 155.6 | 3.5 | 105.2 | | |
| 443 | E | 45.8 | Very low | 49.1 | Very low | 143 Ų | 143 | 155.6 Ų | 155.6 | 67% | 0.668 | 85% | 0.846 | S | S | * | * | | | trans | 64.2 | 143.6 | 175.1 | -69.7 | 137.3 | -156.6 | 0 | 0 | 114.8 | | |
| 444 | M | 42.4 | Very low | 48.6 | Very low | 166 Ų | 166 | 153.9 Ų | 153.9 | 82% | 0.818 | 85% | 0.846 | S | S | * | * | | | cis | -148.9 | 124.4 | 6.3 | -125.3 | 138.3 | 53.3 | 0 | 0 | 109.8 | | |
| 445 | S | 52.9 | Low | 48.5 | Very low | 117 Ų | 117 | 156.1 Ų | 156.1 | 82% | 0.818 | 84% | 0.844 | S | S | * | * | | | trans | -95.2 | 123 | 156.6 | 170.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 446 | R | 52.9 | Low | 48 | Very low | 238 Ų | 238 | 156.7 Ų | 156.7 | 90% | 0.898 | 84% | 0.839 | S | S | * | * | | | trans | -143.1 | 122.8 | 153.9 | -84.8 | -161.5 | 167.2 | 149.5 | -1 | 110.4 | | |
| 447 | L | 41.3 | Very low | 47.7 | Very low | 244 Ų | 244 | 164.6 Ų | 164.6 | 100% | 1.277 | 85% | 0.85 | S | S | * | * | | | trans | -32.1 | 0 | 149.3 | -64.9 | 151.5 | 0 | 0 | 0 | 113.2 | | |