| 1 | M | 57.9 | Low | 70.4 | Confident | 248 Ų | 248 | 131.3 Ų | 131.3 | 100% | 1.222 | 80% | 0.8 | S | S | * | * | | | | 0 | 107.2 | 0 | -81.6 | -168.3 | -93.8 | 0 | 0 | 108.2 | | |
| 2 | L | 65.4 | Low | 71.1 | Confident | 167 Ų | 167 | 140.1 Ų | 140.1 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -82.6 | 115 | 172.5 | -128.1 | 77.2 | 0 | 0 | 0 | 107.2 | C4 | L2-C4 PolarHBondContact O-N 3.25Š|
| 3 | C | 74.8 | Confident | 71.8 | Confident | 115 Ų | 115 | 144.5 Ų | 144.5 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | | | trans | -77.9 | 102.2 | 170.6 | -173.9 | 0 | 0 | 0 | 0 | 107.9 | I5 | C3-I5 PolarHBondContact O-N 3.19Š|
| 4 | C | 76.6 | Confident | 72.8 | Confident | 106 Ų | 106 | 145.4 Ų | 145.4 | 72% | 0.716 | 80% | 0.803 | S | S | * | * | | | trans | -76.3 | 97.2 | 171.1 | -60.3 | 0 | 0 | 0 | 0 | 107.9 | L2 P6 | L2-C4 PolarHBondContact O-N 3.25Å; C4-P6 WeakPolarHBondContact O-CD 3.19Å; C4-P6 VanDerWaalsContact O-N 3.17Å |
| 5 | I | 75.5 | Confident | 73.9 | Confident | 148 Ų | 148 | 148.9 Ų | 148.9 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | | | trans | -63.9 | 114.4 | 165.7 | -59.7 | 175.6 | 0 | 0 | 0 | 105.8 | C3 N7 | C3-I5 PolarHBondContact O-N 3.19Å; I5-N7 PolarHBondContact O-N 2.72Å |
| 6 | P | 72.2 | Confident | 75 | Confident | 109 Ų | 109 | 145.4 Ų | 145.4 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | | | trans | -58.4 | 128.7 | 175.7 | 22.6 | -29.8 | 0 | 0 | 0 | 107.5 | C4 S8 | C4-P6 WeakPolarHBondContact O-CD 3.19Å; C4-P6 VanDerWaalsContact O-N 3.17Å; P6-S8 PolarHBondContact O-N 3.17Å |
| 7 | N | 70 | Confident | 76 | Confident | 166 Ų | 166 | 142.2 Ų | 142.2 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | | | trans | -63.6 | 87.2 | 179 | -153.8 | 2.5 | 0 | 0 | 0 | 107.4 | I5 | I5-N7 PolarHBondContact O-N 2.72Š|
| 8 | S | 68.9 | Low | 77 | Confident | 87 Ų | 87 | 145.6 Ų | 145.6 | 61% | 0.608 | 77% | 0.774 | S | S | * | * | | | trans | -62.6 | 132.1 | -178.2 | 66.2 | 0 | 0 | 0 | 0 | 107.1 | P6 A10 | P6-S8 PolarHBondContact O-N 3.17Å; S8-A10 PolarHBondContact O-N 3.11Å; S8-A10 VanDerWaalsContact O-N 3.11Å |
| 9 | P | 70.5 | Confident | 77.8 | Confident | 119 Ų | 119 | 148.5 Ų | 148.5 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | | | trans | -50.5 | 127 | 176.7 | 20.6 | -31.3 | 0 | 0 | 0 | 108 | A11 | P9-A11 VanDerWaalsContact C-N 3.35Å; P9-A11 PolarHBondContact O-N 3.06Å |
| 10 | A | 70.7 | Confident | 78.6 | Confident | 97 Ų | 97 | 144.9 Ų | 144.9 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | | | trans | -47.4 | 99.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | S8 R12 | S8-A10 PolarHBondContact O-N 3.11Å; S8-A10 VanDerWaalsContact O-N 3.11Å; A10-R12 PolarHBondContact O-N 2.73Å |
| 11 | A | 71.6 | Confident | 79.3 | Confident | 82 Ų | 82 | 143.8 Ų | 143.8 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | | | trans | -57.9 | 121.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | P9 R13 | P9-A11 VanDerWaalsContact C-N 3.35Å; P9-A11 PolarHBondContact O-N 3.06Å; A11-R13 PolarHBondContact O-N 2.84Å |
| 12 | R | 79.4 | Confident | 81 | Confident | 237 Ų | 237 | 134.9 Ų | 134.9 | 89% | 0.894 | 73% | 0.727 | S | S | * | * | | | trans | -54.4 | 109 | -178.6 | -61.1 | -175.3 | -158 | 175 | 6.9 | 106.7 | A10 I14 | A10-R12 PolarHBondContact O-N 2.73Å; R12-I14 PolarHBondContact O-N 3.01Å |
| 13 | R | 80.4 | Confident | 82.5 | Confident | 198 Ų | 198 | 133.8 Ų | 133.8 | 75% | 0.747 | 72% | 0.722 | S | S | * | * | | | trans | -66.1 | 110.1 | 179.2 | -62.6 | 178.5 | 93.9 | 154.3 | 3.4 | 106.1 | A11 K15 | A11-R13 PolarHBondContact O-N 2.84Å; R13-K15 PolarHBondContact O-N 3.26Å |
| 14 | I | 85.2 | Confident | 83.4 | Confident | 156 Ų | 156 | 133.2 Ų | 133.2 | 80% | 0.8 | 72% | 0.717 | S | S | * | * | | | trans | -71.2 | 112.4 | 173.3 | -60.1 | 173.5 | 0 | 0 | 0 | 106 | R12 V16 | R12-I14 PolarHBondContact O-N 3.01Å; I14-V16 PolarHBondContact O-N 2.85Å |
| 15 | K | 89.6 | Confident | 84.3 | Confident | 198 Ų | 198 | 134.3 Ų | 134.3 | 86% | 0.861 | 71% | 0.714 | S | S | * | * | | | trans | -72.9 | 114.5 | 171.5 | -173.3 | 176 | -179.3 | 179.7 | 0 | 107.4 | R13 D17 | R13-K15 PolarHBondContact O-N 3.26Å; K15-D17 PolarHBondContact O-N 3.32Å |
| 16 | V | 90.5 | Very high | 85.2 | Confident | 94 Ų | 94 | 134.1 Ų | 134.1 | 57% | 0.57 | 72% | 0.715 | S | S | * | * | | | trans | -70.1 | 123 | 173.4 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | I14 S20 I21 | I14-V16 PolarHBondContact O-N 2.85Å; V16-S20 WeakPolarHBondContact CG1-OG 3.14Å; V16-I21 HydrophobicContact CG1-CD1 4.16Å; V16-I21 HydrophobicContact CG1-CG1 3.82Å |
| 17 | D | 93 | Very high | 86.3 | Confident | 91 Ų | 91 | 137.5 Ų | 137.5 | 49% | 0.487 | 72% | 0.719 | S | S | . | * | | | trans | -76.3 | 144.2 | 175.3 | -175.5 | 19 | 0 | 0 | 0 | 110.1 | K15 Y19 S20 | K15-D17 PolarHBondContact O-N 3.32Å; D17-Y19 PolarHBondContact O-N 3.25Å; D17-S20 PolarHBondContact N-OG 2.88Å; D17-S20 WeakPolarHBondContact O-CB 3.33Å; D17-S20 PolarHBondContact O-N 3.32Å; D17-S20 PolarHBondContact O-OG 3.04Å |
| 18 | R | 93 | Very high | 87.5 | Confident | 203 Ų | 203 | 139 Ų | 139 | 77% | 0.766 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -60.9 | -34.7 | -178.5 | -68.2 | -172.9 | -67.9 | -179.6 | -0.8 | 111.9 | S20 I21 | R18-S20 PolarHBondContact O-N 3.42Å; R18-I21 PolarHBondContact O-N 3.17Å |
| 19 | Y | 93.5 | Very high | 88.7 | Confident | 201 Ų | 201 | 143 Ų | 143 | 79% | 0.788 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -75.1 | -10.1 | 176.9 | -56.1 | -72.7 | 0 | 0 | 0 | 113.5 | D17 | D17-Y19 PolarHBondContact O-N 3.25Š|
| 20 | S | 92.9 | Very high | 89.8 | Confident | 76 Ų | 76 | 144.1 Ų | 144.1 | 53% | 0.531 | 72% | 0.719 | S | S | . | * | G | 310 helix | trans | -87.8 | -11.7 | 175.6 | 73.3 | 0 | 0 | 0 | 0 | 113.7 | V16 D17 R18 G22 | V16-S20 WeakPolarHBondContact CG1-OG 3.14Å; D17-S20 PolarHBondContact N-OG 2.88Å; D17-S20 WeakPolarHBondContact O-CB 3.33Å; D17-S20 PolarHBondContact O-N 3.32Å; D17-S20 PolarHBondContact O-OG 3.04Å; R18-S20 PolarHBondContact O-N 3.42Å; S20-G22 PolarHBondContact O-N 2.75Å |
| 21 | I | 93.4 | Very high | 90.8 | Very high | 122 Ų | 122 | 143 Ų | 143 | 63% | 0.626 | 71% | 0.71 | S | S | * | * | | | trans | -87 | 97.1 | 174.8 | -54.6 | 176.4 | 0 | 0 | 0 | 107.7 | V16 R18 | V16-I21 HydrophobicContact CG1-CD1 4.16Å; V16-I21 HydrophobicContact CG1-CG1 3.82Å; R18-I21 PolarHBondContact O-N 3.17Å |
| 22 | G | 94.5 | Very high | 91.7 | Very high | 60 Ų | 60 | 146.7 Ų | 146.7 | 62% | 0.619 | 71% | 0.713 | S | S | * | * | | | trans | -72.2 | -179.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S20 | S20-G22 PolarHBondContact O-N 2.75Š|
| 23 | N | 95.8 | Very high | 92.2 | Very high | 144 Ų | 144 | 143.6 Ų | 143.6 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | | | trans | -61.9 | 145.5 | 175.2 | -68 | -24.4 | 0 | 0 | 0 | 111.2 | I25 | N23-I25 PolarHBondContact O-N 3.3Š|
| 24 | P | 95.3 | Very high | 92.4 | Very high | 103 Ų | 103 | 137 Ų | 137 | 67% | 0.669 | 70% | 0.704 | S | S | * | * | | | trans | -64 | 122 | 176.8 | 26.6 | -33.2 | 0 | 0 | 0 | 109.9 | F27 | P24-F27 HydrophobicContact CB-CZ 4.25Š|
| 25 | I | 94.6 | Very high | 91.9 | Very high | 129 Ų | 129 | 133.7 Ų | 133.7 | 66% | 0.662 | 70% | 0.695 | S | S | * | * | | | trans | -133.4 | 164.9 | 177.3 | 59.4 | 170 | 0 | 0 | 0 | 109.1 | N23 | N23-I25 PolarHBondContact O-N 3.3Š|
| 26 | N | 94.9 | Very high | 91.1 | Very high | 145 Ų | 145 | 130.1 Ų | 130.1 | 78% | 0.775 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 59.3 | 51.5 | 174.2 | -54.5 | -32.4 | 0 | 0 | 0 | 114.1 | R28 | N26-R28 PolarHBondContact O-N 3.15Š|
| 27 | F | 94 | Very high | 89.9 | Confident | 180 Ų | 180 | 131.6 Ų | 131.6 | 79% | 0.789 | 70% | 0.695 | S | S | * | * | | | trans | -52.5 | 123.7 | 174.7 | -68.2 | -85.4 | 0 | 0 | 0 | 110.9 | P24 | P24-F27 HydrophobicContact CB-CZ 4.25Š|
| 28 | R | 96 | Very high | 88.3 | Confident | 197 Ų | 197 | 134.9 Ų | 134.9 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | | | trans | -121.4 | 119.4 | 177.7 | -176.8 | 171.9 | 179.9 | -104.6 | -1.7 | 109.1 | N26 I30 | N26-R28 PolarHBondContact O-N 3.15Å; R28-I30 HydrophobicContact CG-CG1 4.45Å; R28-I30 PolarHBondContact O-N 3.32Å |
| 29 | H | 93.3 | Very high | 86.6 | Confident | 172 Ų | 172 | 128.6 Ų | 128.6 | 80% | 0.796 | 70% | 0.7 | S | S | * | * | | | trans | -69.9 | 115.2 | 167.8 | -75.8 | -124.4 | 0 | 0 | 0 | 108 | | |
| 30 | I | 93.9 | Very high | 84.8 | Confident | 142 Ų | 142 | 125.7 Ų | 125.7 | 73% | 0.728 | 70% | 0.698 | S | S | * | * | | | trans | -95.8 | -36.2 | 178.7 | -56.5 | 175.8 | 0 | 0 | 0 | 110.2 | R28 | R28-I30 HydrophobicContact CG-CG1 4.45Å; R28-I30 PolarHBondContact O-N 3.32Å |
| 31 | A | 92.2 | Very high | 83 | Confident | 74 Ų | 74 | 128.9 Ų | 128.9 | 61% | 0.612 | 71% | 0.709 | S | S | * | * | | | trans | -152.6 | 152.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 32 | H | 90.1 | Very high | 80.9 | Confident | 158 Ų | 158 | 130.5 Ų | 130.5 | 73% | 0.731 | 72% | 0.719 | S | S | * | * | | | trans | -117.7 | 113 | 166.6 | 177.6 | -97.1 | 0 | 0 | 0 | 107.4 | | |
| 33 | M | 89.6 | Confident | 78.8 | Confident | 172 Ų | 172 | 133.9 Ų | 133.9 | 85% | 0.847 | 73% | 0.728 | S | S | * | * | | | trans | -107.7 | 110.5 | 172.6 | -63 | -75.9 | 105.1 | 0 | 0 | 106.6 | | |
| 34 | G | 84.7 | Confident | 76.5 | Confident | 59 Ų | 59 | 131.9 Ų | 131.9 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | | | trans | -160.2 | 138.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 35 | S | 75.1 | Confident | 74.1 | Confident | 88 Ų | 88 | 134.5 Ų | 134.5 | 62% | 0.615 | 73% | 0.732 | S | S | * | * | | | trans | -93.2 | 120.5 | 170.9 | -174.3 | 0 | 0 | 0 | 0 | 107.4 | E37 | S35-E37 WeakPolarHBondContact CB-OE1 3.5Å; S35-E37 PolarHBondContact O-N 3.15Å; S35-E37 VanDerWaalsContact OG-CD 3.32Å; S35-E37 PolarHBondContact OG-OE1 3.12Å |
| 36 | S | 72.9 | Confident | 71.8 | Confident | 122 Ų | 122 | 131 Ų | 131 | 85% | 0.853 | 72% | 0.719 | S | S | * | * | | | trans | -91.2 | 64.5 | 169.4 | 61.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 37 | E | 64.9 | Low | 70 | Confident | 125 Ų | 125 | 132.4 Ų | 132.4 | 58% | 0.584 | 72% | 0.719 | S | S | * | * | | | trans | -96.3 | 96.5 | 167.5 | 60.9 | -159.1 | 123.9 | 0 | 0 | 108.9 | S35 S39 | S35-E37 WeakPolarHBondContact CB-OE1 3.5Å; S35-E37 PolarHBondContact O-N 3.15Å; S35-E37 VanDerWaalsContact OG-CD 3.32Å; S35-E37 PolarHBondContact OG-OE1 3.12Å; E37-S39 PolarHBondContact O-N 3.3Å |
| 38 | N | 59.1 | Low | 67.7 | Low | 161 Ų | 161 | 133.3 Ų | 133.3 | 86% | 0.861 | 72% | 0.717 | S | S | * | * | | | trans | -69.9 | 62.9 | 148.6 | -86.6 | 73 | 0 | 0 | 0 | 107.4 | D40 | N38-D40 PolarHBondContact O-N 3.16Š|
| 39 | S | 57.9 | Low | 65.9 | Low | 70 Ų | 70 | 128 Ų | 128 | 49% | 0.49 | 70% | 0.702 | S | S | . | * | | | trans | -90.1 | 90.6 | 172.3 | 53.5 | 0 | 0 | 0 | 0 | 107.1 | E37 N41 | E37-S39 PolarHBondContact O-N 3.3Å; S39-N41 PolarHBondContact O-N 3.4Å |
| 40 | D | 54.9 | Low | 64.1 | Low | 140 Ų | 140 | 126.2 Ų | 126.2 | 75% | 0.749 | 70% | 0.699 | S | S | * | * | | | trans | -55 | 110.7 | 156 | -68.8 | -46.1 | 0 | 0 | 0 | 107 | N38 | N38-D40 PolarHBondContact O-N 3.16Š|
| 41 | N | 55.1 | Low | 62.2 | Low | 144 Ų | 144 | 128.4 Ų | 128.4 | 77% | 0.77 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 80.3 | 90.5 | 165.6 | -42.6 | -50.4 | 0 | 0 | 0 | 117.1 | S39 | S39-N41 PolarHBondContact O-N 3.4Š|
| 42 | N | 51.3 | Low | 60.5 | Low | 155 Ų | 155 | 132.5 Ų | 132.5 | 83% | 0.829 | 71% | 0.713 | S | S | * | * | | | | 60.5 | 67 | 124 | -161.8 | 26 | 0 | 0 | 0 | 118.5 | | |
| 43 | V | 50.5 | Low | 59.4 | Low | 132 Ų | 132 | 130.9 Ų | 130.9 | 80% | 0.8 | 72% | 0.719 | S | S | * | * | | | trans | -153 | 124.2 | 149.6 | -160.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 44 | C | 46.1 | Very low | 58.4 | Low | 101 Ų | 101 | 125.5 Ų | 125.5 | 68% | 0.682 | 69% | 0.693 | S | S | * | * | | | trans | 65.7 | 82.4 | 160 | -96.5 | 0 | 0 | 0 | 0 | 119 | S46 | C44-S46 PolarHBondContact O-N 2.76Š|
| 45 | N | 45 | Very low | 57.9 | Low | 159 Ų | 159 | 125.8 Ų | 125.8 | 85% | 0.85 | 68% | 0.684 | S | S | * | * | | | trans | -59.3 | 77.5 | 136.7 | -150.2 | 25.6 | 0 | 0 | 0 | 108.9 | | |
| 46 | S | 47.3 | Very low | 57.9 | Low | 54 Ų | 54 | 128.1 Ų | 128.1 | 38% | 0.378 | 70% | 0.695 | S | S | . | * | | | trans | -132 | 83.4 | 174.5 | -163.8 | 0 | 0 | 0 | 0 | 108.6 | C44 R48 | C44-S46 PolarHBondContact O-N 2.76Å; S46-R48 PolarHBondContact O-N 3.16Å; S46-R48 WeakPolarHBondContact OG-CG 3.44Å |
| 47 | F | 55.7 | Low | 58.1 | Low | 176 Ų | 176 | 129.6 Ų | 129.6 | 77% | 0.772 | 69% | 0.688 | S | S | * | * | | | trans | -57.5 | 91.7 | 144.5 | -57.1 | -82 | 0 | 0 | 0 | 105.5 | L49 | F47-L49 PolarHBondContact O-N 3.49Š|
| 48 | R | 47.3 | Very low | 58.4 | Low | 199 Ų | 199 | 128 Ų | 128 | 75% | 0.751 | 68% | 0.682 | S | S | * | * | | | trans | -70.1 | 72.9 | 167.6 | -75 | -156.8 | 177.2 | -114.3 | 5 | 107.8 | S46 D50 | S46-R48 PolarHBondContact O-N 3.16Å; S46-R48 WeakPolarHBondContact OG-CG 3.44Å; R48-D50 PolarHBondContact O-N 3.42Å |
| 49 | L | 57.6 | Low | 59 | Low | 85 Ų | 85 | 129.2 Ų | 129.2 | 45% | 0.445 | 68% | 0.675 | S | S | . | * | | | trans | -68.5 | -6.2 | 167.4 | -138 | 79.5 | 0 | 0 | 0 | 111 | F47 Q51 L54 | F47-L49 PolarHBondContact O-N 3.49Å; L49-Q51 VanDerWaalsContact C-N 3.28Å; L49-Q51 PolarHBondContact O-N 3.41Å; L49-Q51 VanDerWaalsContact O-N 3.16Å; L49-L54 HydrophobicContact CD1-CD1 4.1Å; L49-L54 HydrophobicContact CD2-CD1 3.26Å; L49-L54 HydrophobicContact CD2-CG 4.39Å; L49-L54 HydrophobicContact CG-CD1 3.56Å; L49-L54 HydrophobicContact CG-CG 4.23Å |
| 50 | D | 55.7 | Low | 59.6 | Low | 134 Ų | 134 | 132.4 Ų | 132.4 | 72% | 0.717 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -1.1 | -165.5 | -74.6 | -29.4 | 0 | 0 | 0 | 116.1 | R48 | R48-D50 PolarHBondContact O-N 3.42Š|
| 51 | Q | 53.5 | Low | 60.6 | Low | 188 Ų | 188 | 132.7 Ų | 132.7 | 88% | 0.879 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.4 | 1.1 | 179.6 | -66 | -167.9 | -0.1 | 0 | 0 | 116 | L49 | L49-Q51 VanDerWaalsContact C-N 3.28Å; L49-Q51 PolarHBondContact O-N 3.41Å; L49-Q51 VanDerWaalsContact O-N 3.16Å |
| 52 | Q | 56.5 | Low | 61.5 | Low | 161 Ų | 161 | 132.8 Ų | 132.8 | 75% | 0.752 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -106.3 | 120.5 | 172.9 | -63.9 | -161.1 | -7 | 0 | 0 | 108.6 | L54 | Q52-L54 VanDerWaalsContact C-N 3.31Å; Q52-L54 PolarHBondContact O-N 2.97Å |
| 53 | S | 67.8 | Low | 62.4 | Low | 123 Ų | 123 | 132.6 Ų | 132.6 | 86% | 0.86 | 69% | 0.685 | S | S | * | * | | | trans | -57.8 | 97 | 175 | 62.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 54 | L | 68.3 | Low | 63.1 | Low | 59 Ų | 59 | 131.4 Ų | 131.4 | 31% | 0.309 | 68% | 0.68 | S | S | . | * | | | trans | -64.1 | 141.2 | 172.3 | -74.8 | -177.3 | 0 | 0 | 0 | 108.3 | L49 Q52 V56 L58 | L49-L54 HydrophobicContact CD1-CD1 4.1Å; L49-L54 HydrophobicContact CD2-CD1 3.26Å; L49-L54 HydrophobicContact CD2-CG 4.39Å; L49-L54 HydrophobicContact CG-CD1 3.56Å; L49-L54 HydrophobicContact CG-CG 4.23Å; Q52-L54 VanDerWaalsContact C-N 3.31Å; Q52-L54 PolarHBondContact O-N 2.97Å; L54-V56 PolarHBondContact O-N 2.83Å; L54-L58 HydrophobicContact CB-CB 4.1Å; L54-L58 HydrophobicContact CD1-CB 4.19Å; L54-L58 WeakPolarHBondContact CD1-O 3.35Å |
| 55 | P | 73.3 | Confident | 63.4 | Low | 65 Ų | 65 | 134.1 Ų | 134.1 | 42% | 0.422 | 69% | 0.687 | S | S | . | * | | | trans | -43.1 | 136.8 | 163.3 | -27 | 33 | 0 | 0 | 0 | 109.5 | H57 L58 R59 | P55-H57 WeakPolarHBondContact CB-CE1 3.42Å; P55-H57 VanDerWaalsContact CB-ND1 3.33Å; P55-H57 WeakPolarHBondContact CB-ND1 3.29Å; P55-H57 PolarHBondContact O-N 3.36Å; P55-L58 HydrophobicContact CB-CD1 4.47Å; P55-L58 HydrophobicContact CB-CG 4.41Å; P55-L58 HydrophobicContact CG-CD1 4.1Å; P55-L58 WeakPolarHBondContact O-CA 3.4Å; P55-L58 PolarHBondContact O-N 2.95Å; P55-R59 PolarHBondContact O-N 3.08Å |
| 56 | V | 74.4 | Confident | 63.7 | Low | 138 Ų | 138 | 134.1 Ų | 134.1 | 84% | 0.836 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.6 | -28.2 | -172 | 179.9 | 0 | 0 | 0 | 0 | 112.9 | L54 L58 | L54-V56 PolarHBondContact O-N 2.83Å; V56-L58 VanDerWaalsContact C-N 3.33Å; V56-L58 PolarHBondContact O-N 3.48Å |
| 57 | H | 78.1 | Confident | 63.7 | Low | 152 Ų | 152 | 136.4 Ų | 136.4 | 70% | 0.704 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -12.3 | 177.3 | 67.2 | -91 | 0 | 0 | 0 | 115.4 | P55 | P55-H57 WeakPolarHBondContact CB-CE1 3.42Å; P55-H57 VanDerWaalsContact CB-ND1 3.33Å; P55-H57 WeakPolarHBondContact CB-ND1 3.29Å; P55-H57 PolarHBondContact O-N 3.36Å |
| 58 | L | 72.2 | Confident | 63.2 | Low | 91 Ų | 91 | 133.5 Ų | 133.5 | 48% | 0.476 | 70% | 0.704 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.1 | -8 | 176.8 | -60.5 | -176.8 | 0 | 0 | 0 | 112.4 | L54 P55 V56 L60 | L54-L58 HydrophobicContact CB-CB 4.1Å; L54-L58 HydrophobicContact CD1-CB 4.19Å; L54-L58 WeakPolarHBondContact CD1-O 3.35Å; P55-L58 HydrophobicContact CB-CD1 4.47Å; P55-L58 HydrophobicContact CB-CG 4.41Å; P55-L58 HydrophobicContact CG-CD1 4.1Å; P55-L58 WeakPolarHBondContact O-CA 3.4Å; P55-L58 PolarHBondContact O-N 2.95Å; V56-L58 VanDerWaalsContact C-N 3.33Å; V56-L58 PolarHBondContact O-N 3.48Å; L58-L60 PolarHBondContact O-N 2.86Å |
| 59 | R | 71.4 | Confident | 63.1 | Low | 188 Ų | 188 | 130.4 Ų | 130.4 | 71% | 0.709 | 70% | 0.702 | S | S | * | * | | | trans | -65.8 | 106.5 | 175.2 | -170.2 | 176.1 | -171.8 | 174.4 | 3.7 | 108.1 | P55 I61 | P55-R59 PolarHBondContact O-N 3.08Å; R59-I61 PolarHBondContact O-N 3.31Å |
| 60 | L | 70.6 | Confident | 62.4 | Low | 136 Ų | 136 | 132.3 Ų | 132.3 | 71% | 0.712 | 71% | 0.713 | S | S | * | * | | | trans | -60.8 | 130.4 | 166.4 | -65.2 | 174.5 | 0 | 0 | 0 | 107.2 | L58 D62 | L58-L60 PolarHBondContact O-N 2.86Å; L60-D62 PolarHBondContact O-N 3.3Å |
| 61 | I | 75 | Confident | 61.9 | Low | 146 Ų | 146 | 131.8 Ų | 131.8 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | | | trans | -70.8 | 123.3 | 171.9 | -62.7 | 168 | 0 | 0 | 0 | 105.7 | R59 L63 | R59-I61 PolarHBondContact O-N 3.31Å; I61-L63 PolarHBondContact O-N 2.74Å |
| 62 | D | 74.4 | Confident | 61.2 | Low | 147 Ų | 147 | 128.9 Ų | 128.9 | 79% | 0.786 | 71% | 0.706 | S | S | * | * | | | trans | -59.9 | 106.5 | 171.8 | -68.7 | -38.9 | 0 | 0 | 0 | 108.1 | L60 | L60-D62 PolarHBondContact O-N 3.3Š|
| 63 | L | 69.7 | Low | 60.4 | Low | 151 Ų | 151 | 126.4 Ų | 126.4 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | | | trans | -71.3 | 140.4 | 166.9 | -72.1 | 163 | 0 | 0 | 0 | 107.4 | I61 N65 | I61-L63 PolarHBondContact O-N 2.74Å; L63-N65 PolarHBondContact O-N 2.61Å; L63-N65 VanDerWaalsContact O-N 3.08Å |
| 64 | P | 66.2 | Low | 59.1 | Low | 107 Ų | 107 | 125.2 Ų | 125.2 | 70% | 0.695 | 70% | 0.703 | S | S | * | * | | | trans | -54.3 | 123.7 | 174.6 | 22.7 | -31.8 | 0 | 0 | 0 | 108.4 | L66 | P64-L66 PolarHBondContact O-N 3.42Š|
| 65 | N | 51.2 | Low | 57.9 | Low | 157 Ų | 157 | 127.7 Ų | 127.7 | 84% | 0.84 | 73% | 0.726 | S | S | * | * | | | trans | -56.1 | 101.8 | 176.9 | -127.3 | -37.2 | 0 | 0 | 0 | 107.2 | L63 S67 | L63-N65 PolarHBondContact O-N 2.61Å; L63-N65 VanDerWaalsContact O-N 3.08Å; N65-S67 PolarHBondContact O-N 3.32Å |
| 66 | L | 50.7 | Low | 56.4 | Low | 160 Ų | 160 | 130.6 Ų | 130.6 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | | | trans | -71.2 | 76.9 | 164.7 | -67.4 | 176.6 | 0 | 0 | 0 | 105.9 | P64 S68 | P64-L66 PolarHBondContact O-N 3.42Å; L66-S68 PolarHBondContact O-N 3.35Å |
| 67 | S | 47.4 | Very low | 54.9 | Low | 102 Ų | 102 | 126.6 Ų | 126.6 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | | | trans | -62.2 | 91.1 | 164.9 | 175.5 | 0 | 0 | 0 | 0 | 106.6 | N65 N69 | N65-S67 PolarHBondContact O-N 3.32Å; S67-N69 PolarHBondContact O-N 3.37Å |
| 68 | S | 45.9 | Very low | 53.3 | Low | 115 Ų | 115 | 125.2 Ų | 125.2 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | | | trans | -73.9 | 82.3 | 166.8 | 47.3 | 0 | 0 | 0 | 0 | 108 | L66 N70 | L66-S68 PolarHBondContact O-N 3.35Å; S68-N70 VanDerWaalsContact C-N 3.25Å; S68-N70 PolarHBondContact O-N 2.94Å |
| 69 | N | 46.1 | Very low | 52.2 | Low | 133 Ų | 133 | 129 Ų | 129 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | | | trans | -49 | 100.8 | 142.4 | 165.2 | 8.5 | 0 | 0 | 0 | 107.7 | S67 | S67-N69 PolarHBondContact O-N 3.37Š|
| 70 | N | 42.3 | Very low | 50.8 | Low | 126 Ų | 126 | 125.2 Ų | 125.2 | 67% | 0.674 | 76% | 0.757 | S | S | * | * | S | Bend | | 51.8 | 135 | 126.1 | -117.9 | 13.1 | 0 | 0 | 0 | 117.9 | S68 | S68-N70 VanDerWaalsContact C-N 3.25Å; S68-N70 PolarHBondContact O-N 2.94Å |
| 71 | N | 44.2 | Very low | 49.7 | Very low | 123 Ų | 123 | 124 Ų | 124 | 66% | 0.658 | 76% | 0.757 | S | S | * | * | | | trans | 75.7 | 105 | 163.2 | 7 | -60.5 | 0 | 0 | 0 | 117.7 | | |
| 72 | T | 39.7 | Very low | 48.1 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | | | | 64.7 | 114.6 | 125.8 | -30.5 | 0 | 0 | 0 | 0 | 117.5 | | |
| 73 | S | 39.5 | Very low | 46.8 | Very low | 109 Ų | 109 | 119.7 Ų | 119.7 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | | | trans | 58.5 | 108.6 | 153.7 | 60.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 74 | A | 41.6 | Very low | 45.5 | Very low | 97 Ų | 97 | 119.1 Ų | 119.1 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | | | | 162.8 | 150.8 | 98.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 75 | S | 41.2 | Very low | 44 | Very low | 112 Ų | 112 | 119.5 Ų | 119.5 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | | | trans | 81.3 | 93.3 | 145.9 | -157 | 0 | 0 | 0 | 0 | 117.1 | G77 | S75-G77 PolarHBondContact O-N 3.26Š|
| 76 | S | 41.9 | Very low | 43.7 | Very low | 125 Ų | 125 | 118.3 Ų | 118.3 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | | | trans | -56 | 110.8 | 154.1 | 42.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 77 | G | 42.7 | Very low | 43.1 | Very low | 55 Ų | 55 | 115.6 Ų | 115.6 | 57% | 0.567 | 74% | 0.739 | S | S | * | * | | | trans | -125.1 | 130.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | S75 L79 | S75-G77 PolarHBondContact O-N 3.26Å; G77-L79 PolarHBondContact O-N 2.95Å |
| 78 | P | 44.5 | Very low | 43.4 | Very low | 123 Ų | 123 | 115.9 Ų | 115.9 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | | | trans | -81.2 | 110 | -174.4 | 31.4 | -30.3 | 0 | 0 | 0 | 110.2 | T80 | P78-T80 PolarHBondContact O-N 2.79Š|
| 79 | L | 49.1 | Very low | 43.3 | Very low | 169 Ų | 169 | 115 Ų | 115 | 89% | 0.885 | 73% | 0.728 | S | S | * | * | | | trans | -89.2 | 104.7 | 167 | -64.3 | -179.6 | 0 | 0 | 0 | 108.9 | G77 P81 | G77-L79 PolarHBondContact O-N 2.95Å; L79-P81 WeakPolarHBondContact O-CD 3.18Å |
| 80 | T | 42.1 | Very low | 43.4 | Very low | 110 Ų | 110 | 114.3 Ų | 114.3 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | | | trans | -67.4 | 122.3 | 171.6 | 52.6 | 0 | 0 | 0 | 0 | 110.5 | P78 S82 | P78-T80 PolarHBondContact O-N 2.79Å; T80-S82 VanDerWaalsContact C-N 3.33Å; T80-S82 PolarHBondContact O-N 2.86Å; T80-S82 VanDerWaalsContact O-N 3.12Å |
| 81 | P | 48.3 | Very low | 43.2 | Very low | 109 Ų | 109 | 112.7 Ų | 112.7 | 71% | 0.708 | 73% | 0.727 | S | S | * | * | | | trans | -86.6 | 76.1 | 171.8 | 32.8 | -30.4 | 0 | 0 | 0 | 110.1 | L79 S83 L84 | L79-P81 WeakPolarHBondContact O-CD 3.18Å; P81-S83 VanDerWaalsContact C-N 3.33Å; P81-S83 PolarHBondContact O-N 3.31Å; P81-S83 VanDerWaalsContact O-N 3.15Å; P81-L84 HydrophobicContact CB-CD1 4.49Å |
| 82 | S | 42 | Very low | 43.3 | Very low | 100 Ų | 100 | 113.6 Ų | 113.6 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 70.7 | 174 | -50.3 | 0 | 0 | 0 | 0 | 110.2 | T80 | T80-S82 VanDerWaalsContact C-N 3.33Å; T80-S82 PolarHBondContact O-N 2.86Å; T80-S82 VanDerWaalsContact O-N 3.12Å |
| 83 | S | 46 | Very low | 43.3 | Very low | 103 Ų | 103 | 114 Ų | 114 | 72% | 0.72 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 162 | 56.1 | 158.6 | 49.7 | 0 | 0 | 0 | 0 | 112.5 | P81 | P81-S83 VanDerWaalsContact C-N 3.33Å; P81-S83 PolarHBondContact O-N 3.31Å; P81-S83 VanDerWaalsContact O-N 3.15Å |
| 84 | L | 42.2 | Very low | 43.7 | Very low | 140 Ų | 140 | 117 Ų | 117 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | | | trans | -112.1 | 56.8 | 163.1 | -79.7 | 157.8 | 0 | 0 | 0 | 109.4 | P81 I86 | P81-L84 HydrophobicContact CB-CD1 4.49Å; L84-I86 VanDerWaalsContact C-N 3.34Å; L84-I86 HydrophobicContact CD2-CD1 4.4Å; L84-I86 PolarHBondContact O-N 3.48Å |
| 85 | C | 35.5 | Very low | 43.7 | Very low | 114 Ų | 114 | 119.2 Ų | 119.2 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | | | trans | -87.9 | 76.3 | 164.9 | 45.8 | 0 | 0 | 0 | 0 | 109 | | |
| 86 | I | 45.7 | Very low | 44.1 | Very low | 133 Ų | 133 | 120 Ų | 120 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | | | trans | -112.4 | 96.8 | 165.9 | -57.1 | 167.6 | 0 | 0 | 0 | 106.6 | L84 P88 | L84-I86 VanDerWaalsContact C-N 3.34Å; L84-I86 HydrophobicContact CD2-CD1 4.4Å; L84-I86 PolarHBondContact O-N 3.48Å; I86-P88 VanDerWaalsContact O-CD 3.29Å; I86-P88 WeakPolarHBondContact O-CD 3.22Å |
| 87 | S | 37.2 | Very low | 44.3 | Very low | 102 Ų | 102 | 123.6 Ų | 123.6 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | | | trans | -84.8 | 110.6 | 170.1 | -53.5 | 0 | 0 | 0 | 0 | 108.8 | T89 | S87-T89 PolarHBondContact O-N 2.83Å; S87-T89 VanDerWaalsContact O-N 3.15Å |
| 88 | P | 54.1 | Low | 44.2 | Very low | 108 Ų | 108 | 126.3 Ų | 126.3 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | | | trans | -80.3 | 100.2 | 168.8 | 31.8 | -28.2 | 0 | 0 | 0 | 107.5 | I86 V90 | I86-P88 VanDerWaalsContact O-CD 3.29Å; I86-P88 WeakPolarHBondContact O-CD 3.22Å; P88-V90 VanDerWaalsContact C-N 3.28Å; P88-V90 HydrophobicContact CB-CG2 4.45Å; P88-V90 PolarHBondContact O-N 2.98Å |
| 89 | T | 42.6 | Very low | 44 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 60% | 0.601 | 75% | 0.751 | S | S | * | * | | | trans | -76.4 | 87.1 | 165.3 | -59.8 | 0 | 0 | 0 | 0 | 107.7 | S87 | S87-T89 PolarHBondContact O-N 2.83Å; S87-T89 VanDerWaalsContact O-N 3.15Å |
| 90 | V | 48.5 | Very low | 43.7 | Very low | 118 Ų | 118 | 125.5 Ų | 125.5 | 72% | 0.715 | 75% | 0.746 | S | S | * | * | | | trans | -86.8 | 106.8 | 164.8 | -122.5 | 0 | 0 | 0 | 0 | 107.4 | P88 L92 | P88-V90 VanDerWaalsContact C-N 3.28Å; P88-V90 HydrophobicContact CB-CG2 4.45Å; P88-V90 PolarHBondContact O-N 2.98Å; V90-L92 PolarHBondContact O-N 2.99Å |
| 91 | S | 38.5 | Very low | 43.5 | Very low | 91 Ų | 91 | 128.4 Ų | 128.4 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | | | trans | -76.6 | 102.1 | 172.3 | -64.8 | 0 | 0 | 0 | 0 | 109.3 | T93 | S91-T93 PolarHBondContact O-N 3.1Š|
| 92 | L | 47 | Very low | 43.5 | Very low | 143 Ų | 143 | 129.6 Ų | 129.6 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | | | trans | -71.3 | 111.5 | 165.3 | -82 | 126.7 | 0 | 0 | 0 | 109.1 | V90 F94 | V90-L92 PolarHBondContact O-N 2.99Å; L92-F94 HydrophobicContact CB-CD2 4.38Å; L92-F94 HydrophobicContact CB-CE2 4Å; L92-F94 PolarHBondContact O-N 2.85Å |
| 93 | T | 39.3 | Very low | 43.5 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | | | trans | -76.8 | 109.1 | 167.3 | 38.8 | 0 | 0 | 0 | 0 | 109.5 | S91 | S91-T93 PolarHBondContact O-N 3.1Š|
| 94 | F | 47.9 | Very low | 43.7 | Very low | 171 Ų | 171 | 132.5 Ų | 132.5 | 75% | 0.75 | 77% | 0.765 | S | S | * | * | | | trans | -87.6 | 122.2 | 164.1 | -75.1 | -92.4 | 0 | 0 | 0 | 108.9 | L92 T96 | L92-F94 HydrophobicContact CB-CD2 4.38Å; L92-F94 HydrophobicContact CB-CE2 4Å; L92-F94 PolarHBondContact O-N 2.85Å; F94-T96 PolarHBondContact O-N 2.83Å |
| 95 | T | 41.6 | Very low | 43.8 | Very low | 144 Ų | 144 | 132 Ų | 132 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | | | trans | -77.8 | 100.8 | 166.2 | 46 | 0 | 0 | 0 | 0 | 108.8 | | |
| 96 | T | 49.3 | Very low | 44.1 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 118 | 164.8 | 35 | 0 | 0 | 0 | 0 | 109.1 | F94 S98 | F94-T96 PolarHBondContact O-N 2.83Å; T96-S98 PolarHBondContact O-N 2.96Å |
| 97 | Q | 46.9 | Very low | 43.8 | Very low | 200 Ų | 200 | 135.7 Ų | 135.7 | 94% | 0.935 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 119.3 | 169 | -80.5 | -179.5 | 2.8 | 0 | 0 | 109 | | |
| 98 | S | 40.2 | Very low | 43.9 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70 | 128.9 | 169.7 | 174.4 | 0 | 0 | 0 | 0 | 109.3 | T96 | T96-S98 PolarHBondContact O-N 2.96Š|
| 99 | S | 39.5 | Very low | 43.1 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -135.6 | 106.1 | 157.7 | -143 | 0 | 0 | 0 | 0 | 109.2 | | |
| 100 | M | 43.9 | Very low | 43.1 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | | | trans | 35.8 | 105.4 | 152 | -62.9 | -67.8 | 143.3 | 0 | 0 | 118.9 | | |
| 101 | L | 38.2 | Very low | 42.6 | Very low | 172 Ų | 172 | 147.3 Ų | 147.3 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | | | trans | -70 | 130.8 | 151.8 | -99.1 | 99.5 | 0 | 0 | 0 | 109.6 | | |
| 102 | T | 47.9 | Very low | 42.8 | Very low | 133 Ų | 133 | 148.4 Ų | 148.4 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | | | trans | -125.3 | 118.3 | 150.5 | 39.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 103 | T | 42.1 | Very low | 42.3 | Very low | 120 Ų | 120 | 149 Ų | 149 | 74% | 0.736 | 81% | 0.811 | S | S | * | * | | | trans | -35 | 143.7 | 159.8 | -34.7 | 0 | 0 | 0 | 0 | 111 | | |
| 104 | I | 49.2 | Very low | 42.5 | Very low | 144 Ų | 144 | 150 Ų | 150 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | | | | 174.1 | 126.8 | 101 | -75.9 | 147 | 0 | 0 | 0 | 109.7 | | |
| 105 | T | 44.2 | Very low | 42.2 | Very low | 130 Ų | 130 | 149.1 Ų | 149.1 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | | | trans | 38.2 | 134.8 | 150.1 | 64.7 | 0 | 0 | 0 | 0 | 125 | | |
| 106 | K | 41.3 | Very low | 42.2 | Very low | 211 Ų | 211 | 147.2 Ų | 147.2 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | | | trans | -43.2 | 134 | 157.9 | -68 | 169.3 | 172.1 | 174.5 | 0 | 114.4 | | |
| 107 | S | 41.4 | Very low | 41.6 | Very low | 113 Ų | 113 | 148.4 Ų | 148.4 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | | | trans | -172.2 | 112.1 | 137.9 | -173.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 108 | T | 37.3 | Very low | 41.5 | Very low | 124 Ų | 124 | 144 Ų | 144 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | | | trans | 13.4 | 115.9 | 135.2 | -52.6 | 0 | 0 | 0 | 0 | 121.5 | | |
| 109 | K | 38.9 | Very low | 41.3 | Very low | 175 Ų | 175 | 144 Ų | 144 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | | | trans | 54.7 | 117.4 | 135.4 | -96.8 | 175.6 | 179.7 | 173.6 | 0 | 121.6 | | |
| 110 | R | 41.5 | Very low | 41.6 | Very low | 215 Ų | 215 | 146.8 Ų | 146.8 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | | | trans | 126.7 | 110.8 | 131.2 | -74.4 | -180 | -172.4 | 126.1 | -5.4 | 115.9 | | |
| 111 | N | 38.3 | Very low | 41.6 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | | | trans | 24 | 118.4 | 139.1 | -52.1 | -6.6 | 0 | 0 | 0 | 120.8 | | |
| 112 | S | 42.5 | Very low | 41.5 | Very low | 113 Ų | 113 | 146.2 Ų | 146.2 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | | 165.5 | 122.6 | 112.3 | 74.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 113 | L | 37.8 | Very low | 41.5 | Very low | 156 Ų | 156 | 145.6 Ų | 145.6 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | | | | 67.3 | 123.9 | 99.3 | -155.1 | 82.5 | 0 | 0 | 0 | 113.6 | | |
| 114 | L | 43.5 | Very low | 41.3 | Very low | 157 Ų | 157 | 145 Ų | 145 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | 104.5 | 84 | 168.4 | -51.5 | 174.4 | 0 | 0 | 0 | 117.2 | | |
| 115 | D | 39.7 | Very low | 41.3 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | | 45.6 | 167.2 | 112.1 | -134.5 | 22.4 | 0 | 0 | 0 | 122 | | |
| 116 | P | 43.4 | Very low | 41.3 | Very low | 104 Ų | 104 | 148.3 Ų | 148.3 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | | | | -123.6 | 171 | -87.3 | 37.2 | -20.3 | 0 | 0 | 0 | 116 | | |
| 117 | N | 36.8 | Very low | 41.4 | Very low | 152 Ų | 152 | 143.9 Ų | 143.9 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | | | trans | -38.2 | 169 | 169.5 | -110.3 | -41.6 | 0 | 0 | 0 | 116.4 | | |
| 118 | P | 43.2 | Very low | 41.7 | Very low | 107 Ų | 107 | 146.4 Ų | 146.4 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | | | cis | -158.2 | -172.3 | 45.5 | 31.7 | -2.9 | 0 | 0 | 0 | 118.7 | | |
| 119 | V | 37.6 | Very low | 42 | Very low | 112 Ų | 112 | 146.9 Ų | 146.9 | 68% | 0.679 | 78% | 0.784 | S | S | * | * | | | trans | 88.4 | 112.2 | 152.3 | -163.2 | 0 | 0 | 0 | 0 | 118.8 | | |
| 120 | L | 44.3 | Very low | 43 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | | | trans | -155.2 | 149.7 | 138.2 | -105.2 | 173.3 | 0 | 0 | 0 | 111.1 | | |
| 121 | H | 44.1 | Very low | 43.4 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | | | trans | -81.1 | 155.4 | -153.7 | -102.8 | -128.2 | 0 | 0 | 0 | 117.2 | | |
| 122 | E | 36.7 | Very low | 44.6 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | | | trans | -70 | 167 | 166.6 | -110.9 | -79.9 | 138.5 | 0 | 0 | 113.5 | C124 | E122-C124 PolarHBondContact OE2-N 3.36Š|
| 123 | P | 48.6 | Very low | 45.1 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | | | | -147.2 | 142.2 | 107.9 | 35.6 | -17.7 | 0 | 0 | 0 | 118.1 | | |
| 124 | C | 36.1 | Very low | 45.8 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | | | trans | -44.5 | 146.2 | 175.3 | -67.8 | 0 | 0 | 0 | 0 | 117.5 | E122 | E122-C124 PolarHBondContact OE2-N 3.36Š|
| 125 | K | 49.6 | Very low | 46.4 | Very low | 215 Ų | 215 | 141.9 Ų | 141.9 | 94% | 0.935 | 77% | 0.765 | S | S | * | * | | | trans | -132.8 | 124.4 | 148.7 | -79.7 | -178.2 | -179.3 | 174.5 | 0 | 112.1 | | |
| 126 | T | 45.3 | Very low | 46.7 | Very low | 128 Ų | 128 | 142 Ų | 142 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | | | trans | -65.9 | 153.8 | -177.1 | -50.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 127 | T | 42.6 | Very low | 47.5 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | | | trans | 118.3 | 90.8 | 147.8 | -42.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 128 | H | 48.4 | Very low | 48.3 | Very low | 165 Ų | 165 | 140.1 Ų | 140.1 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | | | | -179.6 | 103 | 119.5 | -130.6 | -89.3 | 0 | 0 | 0 | 108.2 | V130 | H128-V130 PolarHBondContact O-N 3.13Å; H128-V130 VanDerWaalsContact O-N 3.16Å |
| 129 | V | 42.9 | Very low | 48.4 | Very low | 135 Ų | 135 | 142 Ų | 142 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | trans | -82.9 | 93.3 | 175.7 | -176.2 | 0 | 0 | 0 | 0 | 108 | | |
| 130 | V | 60 | Low | 49 | Very low | 95 Ų | 95 | 143.5 Ų | 143.5 | 58% | 0.576 | 76% | 0.758 | S | S | * | * | | | trans | -102.3 | 107.2 | 157.9 | 177.3 | 0 | 0 | 0 | 0 | 105.9 | H128 R132 | H128-V130 PolarHBondContact O-N 3.13Å; H128-V130 VanDerWaalsContact O-N 3.16Å; V130-R132 VanDerWaalsContact C-N 3.28Å; V130-R132 HydrophobicContact CG1-CG 4.33Å; V130-R132 PolarHBondContact O-N 3.21Å |
| 131 | M | 50 | Low | 49 | Very low | 162 Ų | 162 | 144.2 Ų | 144.2 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | | | trans | -69.5 | 84.8 | 180 | -151.3 | 175.4 | -70.3 | 0 | 0 | 108.6 | | |
| 132 | R | 62.7 | Low | 49.1 | Very low | 203 Ų | 203 | 141.4 Ų | 141.4 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | | | trans | -100.4 | 127.3 | 168.5 | -92 | -174 | 169.2 | 122.3 | -1 | 108.6 | V130 S134 | V130-R132 VanDerWaalsContact C-N 3.28Å; V130-R132 HydrophobicContact CG1-CG 4.33Å; V130-R132 PolarHBondContact O-N 3.21Å; R132-S134 PolarHBondContact O-N 2.7Å |
| 133 | H | 54.6 | Low | 49.7 | Very low | 185 Ų | 185 | 142.5 Ų | 142.5 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | | | trans | -66.4 | 80.5 | 174 | -42.6 | -89.9 | 0 | 0 | 0 | 109.4 | T135 | H133-T135 PolarHBondContact O-N 3.26Š|
| 134 | S | 52.8 | Low | 49.9 | Very low | 94 Ų | 94 | 140.8 Ų | 140.8 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | | | trans | -83.1 | 112.5 | 175.6 | -58.1 | 0 | 0 | 0 | 0 | 108.8 | R132 H136 | R132-S134 PolarHBondContact O-N 2.7Å; S134-H136 PolarHBondContact O-N 3Å |
| 135 | T | 55.2 | Low | 50.8 | Low | 129 Ų | 129 | 140.8 Ų | 140.8 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | | | trans | -62.9 | 100.6 | 165.3 | 38.1 | 0 | 0 | 0 | 0 | 108.4 | H133 L137 | H133-T135 PolarHBondContact O-N 3.26Å; T135-L137 VanDerWaalsContact C-N 3.29Å; T135-L137 PolarHBondContact O-N 3.18Å |
| 136 | H | 45.8 | Very low | 50.9 | Low | 155 Ų | 155 | 141.6 Ų | 141.6 | 72% | 0.718 | 75% | 0.745 | S | S | * | * | | | trans | -71.5 | 76.5 | -173 | -141.6 | -86.7 | 0 | 0 | 0 | 110.8 | S134 S138 | S134-H136 PolarHBondContact O-N 3Å; H136-S138 PolarHBondContact CE1-OG 2.77Å; H136-S138 PolarHBondContact ND1-OG 2.84Å; H136-S138 PolarHBondContact O-N 3.22Å |
| 137 | L | 59.6 | Low | 51.5 | Low | 136 Ų | 136 | 142.3 Ų | 142.3 | 71% | 0.712 | 74% | 0.744 | S | S | * | * | | | trans | -88.6 | 35.7 | 171.8 | -67.5 | 177.6 | 0 | 0 | 0 | 112.2 | T135 L140 | T135-L137 VanDerWaalsContact C-N 3.29Å; T135-L137 PolarHBondContact O-N 3.18Å; L137-L140 HydrophobicContact CD2-CD1 4.22Å |
| 138 | S | 54.5 | Low | 52 | Low | 80 Ų | 80 | 140.8 Ų | 140.8 | 56% | 0.559 | 73% | 0.731 | S | S | * | * | | | trans | -93.5 | 6.1 | -175.6 | 69.7 | 0 | 0 | 0 | 0 | 114.9 | H136 | H136-S138 PolarHBondContact CE1-OG 2.77Å; H136-S138 PolarHBondContact ND1-OG 2.84Å; H136-S138 PolarHBondContact O-N 3.22Å |
| 139 | N | 44.9 | Very low | 52.6 | Low | 147 Ų | 147 | 140.9 Ų | 140.9 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | | | trans | -116.3 | 7.9 | 179.4 | -80 | -11.9 | 0 | 0 | 0 | 114.5 | K141 | N139-K141 PolarHBondContact O-N 2.82Å; N139-K141 VanDerWaalsContact O-N 3.13Å |
| 140 | L | 50.5 | Low | 53.8 | Low | 144 Ų | 144 | 139.2 Ų | 139.2 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | | | trans | -85.6 | 89.4 | 171.6 | -63.9 | 176.7 | 0 | 0 | 0 | 108.3 | L137 S142 | L137-L140 HydrophobicContact CD2-CD1 4.22Å; L140-S142 PolarHBondContact O-N 3.3Å |
| 141 | K | 45.2 | Very low | 54.3 | Low | 189 Ų | 189 | 140.2 Ų | 140.2 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | | | trans | -42.8 | 125.8 | 162.5 | -171.8 | 156.2 | 177.6 | 173.9 | 0 | 107.5 | N139 E143 | N139-K141 PolarHBondContact O-N 2.82Å; N139-K141 VanDerWaalsContact O-N 3.13Å; K141-E143 PolarHBondContact O-N 2.68Å |
| 142 | S | 46.1 | Very low | 55.7 | Low | 115 Ų | 115 | 138.2 Ų | 138.2 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | | | trans | -69.4 | 68.7 | 176.5 | 64.1 | 0 | 0 | 0 | 0 | 109.3 | L140 S144 | L140-S142 PolarHBondContact O-N 3.3Å; S142-S144 PolarHBondContact O-N 2.77Å |
| 143 | E | 48 | Very low | 56.5 | Low | 168 Ų | 168 | 136.2 Ų | 136.2 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | | | trans | -74.2 | 83.9 | 157 | -161.4 | 172.2 | 116 | 0 | 0 | 104.4 | K141 P145 | K141-E143 PolarHBondContact O-N 2.68Å; E143-P145 WeakPolarHBondContact O-CD 3.39Å |
| 144 | S | 53 | Low | 57.9 | Low | 84 Ų | 84 | 132.6 Ų | 132.6 | 59% | 0.587 | 73% | 0.728 | S | S | * | * | | | trans | -48.4 | 115.7 | 161.3 | 40.1 | 0 | 0 | 0 | 0 | 105.5 | S142 R146 | S142-S144 PolarHBondContact O-N 2.77Å; S144-R146 VanDerWaalsContact C-N 3.28Å; S144-R146 PolarHBondContact O-N 2.9Å |
| 145 | P | 55.9 | Low | 59.5 | Low | 109 Ų | 109 | 133.6 Ų | 133.6 | 71% | 0.708 | 73% | 0.732 | S | S | * | * | | | trans | -60.2 | 105.8 | 173.5 | -11.6 | 24.7 | 0 | 0 | 0 | 103.7 | E143 L147 | E143-P145 WeakPolarHBondContact O-CD 3.39Å; P145-L147 PolarHBondContact O-N 3.02Å |
| 146 | R | 51.7 | Low | 61.2 | Low | 232 Ų | 232 | 132.9 Ų | 132.9 | 88% | 0.875 | 73% | 0.73 | S | S | * | * | | | trans | -64.4 | 99.5 | 163.7 | -75.7 | -157.7 | 149.5 | 154.5 | -1.3 | 102.9 | S144 D148 | S144-R146 VanDerWaalsContact C-N 3.28Å; S144-R146 PolarHBondContact O-N 2.9Å; R146-D148 PolarHBondContact O-N 2.98Å |
| 147 | L | 57.9 | Low | 63.4 | Low | 144 Ų | 144 | 131 Ų | 131 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | | | trans | -57.4 | 94.2 | 165.2 | -66.1 | 173.8 | 0 | 0 | 0 | 104.3 | P145 L149 | P145-L147 PolarHBondContact O-N 3.02Å; L147-L149 WeakPolarHBondContact O-CD1 3.17Å; L147-L149 PolarHBondContact O-N 3.34Å |
| 148 | D | 52.6 | Low | 64.9 | Low | 85 Ų | 85 | 130 Ų | 130 | 46% | 0.455 | 73% | 0.733 | S | S | . | * | | | trans | -70.1 | 90.9 | 174.2 | -174.7 | 17.3 | 0 | 0 | 0 | 105.9 | R146 S150 L151 | R146-D148 PolarHBondContact O-N 2.98Å; D148-S150 PolarHBondContact O-N 2.58Å; D148-S150 WeakPolarHBondContact OD1-CB 3.43Å; D148-S150 PolarHBondContact OD1-N 2.95Å; D148-S150 PolarHBondContact OD1-OG 3.03Å; D148-L151 HydrophobicContact CB-CD1 4.04Å; D148-L151 HydrophobicContact CB-CG 4.27Å; D148-L151 PolarHBondContact O-N 3.4Å |
| 149 | L | 62 | Low | 66.7 | Low | 167 Ų | 167 | 131.8 Ų | 131.8 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -3 | 177.6 | -74.3 | 114.9 | 0 | 0 | 0 | 112.5 | L147 | L147-L149 WeakPolarHBondContact O-CD1 3.17Å; L147-L149 PolarHBondContact O-N 3.34Å |
| 150 | S | 66.8 | Low | 68.9 | Low | 100 Ų | 100 | 130.3 Ų | 130.3 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -15.6 | 172.8 | -31 | 0 | 0 | 0 | 0 | 112.9 | D148 | D148-S150 PolarHBondContact O-N 2.58Å; D148-S150 WeakPolarHBondContact OD1-CB 3.43Å; D148-S150 PolarHBondContact OD1-N 2.95Å; D148-S150 PolarHBondContact OD1-OG 3.03Å |
| 151 | L | 70.4 | Confident | 70.7 | Confident | 117 Ų | 117 | 128.8 Ų | 128.8 | 61% | 0.613 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -79 | 133.3 | 177.3 | -70.5 | 166.7 | 0 | 0 | 0 | 109.9 | D148 L153 | D148-L151 HydrophobicContact CB-CD1 4.04Å; D148-L151 HydrophobicContact CB-CG 4.27Å; D148-L151 PolarHBondContact O-N 3.4Å; L151-L153 PolarHBondContact O-N 3.27Å |
| 152 | P | 79.2 | Confident | 72.7 | Confident | 119 Ų | 119 | 125.8 Ų | 125.8 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 129.7 | 175.2 | 22.9 | -30.4 | 0 | 0 | 0 | 109.6 | | |
| 153 | L | 79.9 | Confident | 74.4 | Confident | 162 Ų | 162 | 125.8 Ų | 125.8 | 85% | 0.848 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 138.8 | 178.5 | -71.4 | 170.5 | 0 | 0 | 0 | 109.7 | L151 | L151-L153 PolarHBondContact O-N 3.27Š|
| 154 | P | 83.4 | Confident | 76 | Confident | 109 Ų | 109 | 123.7 Ų | 123.7 | 71% | 0.708 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 147.8 | 174.6 | 25.8 | -33 | 0 | 0 | 0 | 109.7 | | |
| 155 | P | 87.3 | Confident | 76.9 | Confident | 115 Ų | 115 | 124.6 Ų | 124.6 | 75% | 0.747 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 145.8 | 178.7 | 25 | -33.3 | 0 | 0 | 0 | 110.1 | | |
| 156 | P | 90.4 | Very high | 77.7 | Confident | 114 Ų | 114 | 121.7 Ų | 121.7 | 74% | 0.74 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 149.6 | 179.1 | 26.3 | -33.8 | 0 | 0 | 0 | 110.5 | | |
| 157 | P | 92.4 | Very high | 78.2 | Confident | 115 Ų | 115 | 114 Ų | 114 | 75% | 0.747 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -62 | 150.7 | 175.8 | 26.7 | -33.6 | 0 | 0 | 0 | 110.8 | | |
| 158 | P | 91.6 | Very high | 78.3 | Confident | 115 Ų | 115 | 111.3 Ų | 111.3 | 75% | 0.747 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 152 | 175.9 | 24.6 | -31.1 | 0 | 0 | 0 | 111.1 | | |
| 159 | P | 92 | Very high | 78.7 | Confident | 118 Ų | 118 | 116.4 Ų | 116.4 | 77% | 0.766 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 147.1 | 178.6 | 23.7 | -30.9 | 0 | 0 | 0 | 111.3 | | |
| 160 | P | 90.4 | Very high | 78.7 | Confident | 116 Ų | 116 | 111.9 Ų | 111.9 | 75% | 0.753 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 150.7 | 176.8 | 25.1 | -31.5 | 0 | 0 | 0 | 111.2 | | |
| 161 | P | 89.2 | Confident | 78.3 | Confident | 111 Ų | 111 | 113 Ų | 113 | 72% | 0.721 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 153.4 | 178.9 | 25.2 | -32.9 | 0 | 0 | 0 | 111.8 | V163 | P161-V163 PolarHBondContact O-N 3.4Š|
| 162 | P | 86.1 | Confident | 78 | Confident | 126 Ų | 126 | 114.3 Ų | 114.3 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 128.1 | 176.1 | -21.5 | 31.8 | 0 | 0 | 0 | 111.2 | N164 | P162-N164 PolarHBondContact O-N 3.43Š|
| 163 | V | 82.4 | Confident | 77.1 | Confident | 116 Ų | 116 | 116.3 Ų | 116.3 | 70% | 0.703 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 119.9 | 174 | -71 | 0 | 0 | 0 | 0 | 109.8 | P161 | P161-V163 PolarHBondContact O-N 3.4Š|
| 164 | N | 82.1 | Confident | 76 | Confident | 123 Ų | 123 | 113.4 Ų | 113.4 | 66% | 0.658 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 130 | 172 | -77.4 | -38.5 | 0 | 0 | 0 | 109.5 | P162 G166 S167 | P162-N164 PolarHBondContact O-N 3.43Å; N164-G166 PolarHBondContact O-N 2.85Å; N164-S167 WeakPolarHBondContact O-CB 3.4Å; N164-S167 PolarHBondContact O-N 3.3Å |
| 165 | P | 72.3 | Confident | 74.3 | Confident | 103 Ų | 103 | 116.8 Ų | 116.8 | 67% | 0.669 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -61 | -21.3 | -179.2 | 21.9 | -31.6 | 0 | 0 | 0 | 113.4 | S167 | P165-S167 VanDerWaalsContact C-N 3.32Å; P165-S167 PolarHBondContact O-N 3.46Å |
| 166 | G | 71.3 | Confident | 73.7 | Confident | 48 Ų | 48 | 116.9 Ų | 116.9 | 50% | 0.495 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -67.4 | -27.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | N164 S170 | N164-G166 PolarHBondContact O-N 2.85Å; G166-S170 PolarHBondContact O-N 3.19Å; G166-S170 PolarHBondContact O-OG 3.48Å |
| 167 | S | 62.8 | Low | 72.8 | Confident | 72 Ų | 72 | 117 Ų | 117 | 50% | 0.503 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -74.4 | -33.4 | 179.4 | -151.5 | 0 | 0 | 0 | 0 | 111.9 | N164 P165 S170 M171 | N164-S167 WeakPolarHBondContact O-CB 3.4Å; N164-S167 PolarHBondContact O-N 3.3Å; P165-S167 VanDerWaalsContact C-N 3.32Å; P165-S167 PolarHBondContact O-N 3.46Å; S167-S170 PolarHBondContact O-N 3.42Å; S167-M171 PolarHBondContact O-N 3.29Å |
| 168 | L | 60.5 | Low | 71.7 | Confident | 86 Ų | 86 | 117.1 Ų | 117.1 | 45% | 0.45 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -66.4 | -37.7 | 175.5 | -66.3 | 176.2 | 0 | 0 | 0 | 112.1 | S170 M171 L172 | L168-S170 VanDerWaalsContact C-N 3.32Å; L168-S170 PolarHBondContact O-N 3.25Å; L168-M171 HydrophobicContact CD2-CE 3.79Å; L168-M171 PolarHBondContact O-N 3.4Å; L168-L172 WeakPolarHBondContact O-CG 3.4Å; L168-L172 PolarHBondContact O-N 3.26Å |
| 169 | R | 61 | Low | 70.5 | Confident | 193 Ų | 193 | 117.2 Ų | 117.2 | 73% | 0.728 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -65.4 | -35 | 174.9 | -80.6 | -166.9 | 167.5 | 179.4 | -2.6 | 112.8 | L172 Q173 | R169-L172 PolarHBondContact O-N 3.49Å; R169-Q173 WeakPolarHBondContact O-CG 3.37Å; R169-Q173 PolarHBondContact O-N 2.9Å |
| 170 | S | 61.1 | Low | 69.2 | Low | 72 Ų | 72 | 117.2 Ų | 117.2 | 50% | 0.503 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -69.5 | -35.8 | 178.5 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | G166 S167 L168 S174 | G166-S170 PolarHBondContact O-N 3.19Å; G166-S170 PolarHBondContact O-OG 3.48Å; S167-S170 PolarHBondContact O-N 3.42Å; L168-S170 VanDerWaalsContact C-N 3.32Å; L168-S170 PolarHBondContact O-N 3.25Å; S170-S174 PolarHBondContact O-OG 3.47Å |
| 171 | M | 59.5 | Low | 67.8 | Low | 123 Ų | 123 | 117.3 Ų | 117.3 | 61% | 0.606 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -70.7 | -36.1 | 174.8 | -75.2 | -170.5 | -58.5 | 0 | 0 | 113.1 | S167 L168 Q173 S174 | S167-M171 PolarHBondContact O-N 3.29Å; L168-M171 HydrophobicContact CD2-CE 3.79Å; L168-M171 PolarHBondContact O-N 3.4Å; M171-Q173 VanDerWaalsContact C-N 3.29Å; M171-Q173 PolarHBondContact O-N 3.3Å; M171-S174 PolarHBondContact O-N 3.07Å |
| 172 | L | 63.5 | Low | 66.2 | Low | 144 Ų | 144 | 117.7 Ų | 117.7 | 75% | 0.754 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -73.8 | -18.2 | -179.9 | -70.4 | 168.8 | 0 | 0 | 0 | 113.9 | L168 R169 | L168-L172 WeakPolarHBondContact O-CG 3.4Å; L168-L172 PolarHBondContact O-N 3.26Å; R169-L172 PolarHBondContact O-N 3.49Å |
| 173 | Q | 60.1 | Low | 64.7 | Low | 161 Ų | 161 | 117.1 Ų | 117.1 | 75% | 0.752 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -0.4 | 177.2 | -71.1 | 178.6 | -22.9 | 0 | 0 | 113.4 | R169 M171 | R169-Q173 WeakPolarHBondContact O-CG 3.37Å; R169-Q173 PolarHBondContact O-N 2.9Å; M171-Q173 VanDerWaalsContact C-N 3.29Å; M171-Q173 PolarHBondContact O-N 3.3Å |
| 174 | S | 56.3 | Low | 63.2 | Low | 101 Ų | 101 | 117.2 Ų | 117.2 | 71% | 0.706 | 67% | 0.674 | S | S | * | * | | | trans | -97.9 | 21.8 | -177.2 | -54.8 | 0 | 0 | 0 | 0 | 113.4 | S170 M171 | S170-S174 PolarHBondContact O-OG 3.47Å; M171-S174 PolarHBondContact O-N 3.07Å |
| 175 | S | 48.4 | Very low | 61.5 | Low | 180 Ų | 180 | 116.6 Ų | 116.6 | 100% | 1.259 | 68% | 0.675 | S | S | * | * | | | trans | -117.7 | 0 | 175.6 | -69.8 | 0 | 0 | 0 | 0 | 111.7 | | |