| 1 | M | 57.7 | Low | 60.3 | Low | 245 Ų | 245 | 165 Ų | 165 | 100% | 1.207 | 86% | 0.861 | S | S | * | * | | | | 0 | 97.2 | 0 | -57.4 | -134.9 | 93.4 | 0 | 0 | 107.7 | | |
| 2 | Q | 49.9 | Very low | 60.5 | Low | 196 Ų | 196 | 172 Ų | 172 | 92% | 0.916 | 87% | 0.867 | S | S | * | * | | | trans | -127.6 | 126.5 | -178.1 | -71.7 | 177.6 | 5.4 | 0 | 0 | 107.2 | | |
| 3 | S | 61.2 | Low | 60.6 | Low | 115 Ų | 115 | 163.1 Ų | 163.1 | 80% | 0.804 | 85% | 0.845 | S | S | * | * | | | trans | 147.2 | 99.7 | 148.7 | -171.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 4 | V | 70.1 | Confident | 61.1 | Low | 148 Ų | 148 | 162.8 Ų | 162.8 | 90% | 0.897 | 85% | 0.845 | S | S | * | * | | | trans | -149.8 | 86.3 | 145.1 | -91.6 | 0 | 0 | 0 | 0 | 107 | | |
| 5 | R | 62.4 | Low | 61 | Low | 237 Ų | 237 | 160.5 Ų | 160.5 | 89% | 0.894 | 84% | 0.841 | S | S | * | * | | | trans | -112.7 | 101.1 | 156.8 | -73.5 | -173 | -179.6 | -179.2 | 1.2 | 106.3 | | |
| 6 | L | 59.7 | Low | 61.3 | Low | 161 Ų | 161 | 158.1 Ų | 158.1 | 84% | 0.843 | 84% | 0.835 | S | S | * | * | | | trans | -139.5 | 81.3 | 158.5 | -134.6 | 86.7 | 0 | 0 | 0 | 108.7 | | |
| 7 | L | 61.5 | Low | 61.6 | Low | 126 Ų | 126 | 156.1 Ų | 156.1 | 66% | 0.66 | 83% | 0.83 | S | S | * | * | | | trans | 43.8 | 93.3 | 130.3 | -55.1 | 161.1 | 0 | 0 | 0 | 115.2 | L9 | L7-L9 HydrophobicContact CB-CB 4.14Å; L7-L9 HydrophobicContact CB-CD1 4.5Å; L7-L9 HydrophobicContact CD2-CD1 4.35Å; L7-L9 PolarHBondContact O-N 2.84Å |
| 8 | N | 60.9 | Low | 61.4 | Low | 172 Ų | 172 | 153.2 Ų | 153.2 | 92% | 0.92 | 82% | 0.823 | S | S | * | * | | | trans | -64.2 | 76.4 | 149.9 | -77.8 | -44.6 | 0 | 0 | 0 | 108.2 | | |
| 9 | L | 56.7 | Low | 61.4 | Low | 136 Ų | 136 | 150.7 Ų | 150.7 | 71% | 0.712 | 82% | 0.819 | S | S | * | * | | | trans | -103.5 | 59.2 | 179.5 | -141.9 | 76.9 | 0 | 0 | 0 | 108.9 | L7 | L7-L9 HydrophobicContact CB-CB 4.14Å; L7-L9 HydrophobicContact CB-CD1 4.5Å; L7-L9 HydrophobicContact CD2-CD1 4.35Å; L7-L9 PolarHBondContact O-N 2.84Å |
| 10 | L | 61.1 | Low | 61.3 | Low | 157 Ų | 157 | 151.2 Ų | 151.2 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | | | trans | -99.1 | 119.4 | 161.9 | -94.8 | 76.5 | 0 | 0 | 0 | 108 | R12 | L10-R12 PolarHBondContact O-N 3.13Å; L10-R12 VanDerWaalsContact O-N 3.15Å |
| 11 | P | 61.7 | Low | 61.2 | Low | 122 Ų | 122 | 154.4 Ų | 154.4 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | | | trans | -62.3 | 120.8 | 175.8 | 25.7 | -31 | 0 | 0 | 0 | 108.2 | G13 | P11-G13 PolarHBondContact O-N 3.24Š|
| 12 | R | 63.3 | Low | 61.4 | Low | 249 Ų | 249 | 149.9 Ų | 149.9 | 94% | 0.94 | 80% | 0.8 | S | S | * | * | | | trans | -71.6 | 74.7 | 163.2 | -69.2 | -159.4 | 167.5 | 127 | 1.3 | 107.9 | L10 | L10-R12 PolarHBondContact O-N 3.13Å; L10-R12 VanDerWaalsContact O-N 3.15Å |
| 13 | G | 61.2 | Low | 61.4 | Low | 56 Ų | 56 | 148 Ų | 148 | 58% | 0.577 | 80% | 0.796 | S | S | * | * | | | trans | -69.7 | 131.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | P11 V15 | P11-G13 PolarHBondContact O-N 3.24Å; G13-V15 PolarHBondContact O-N 2.7Å; G13-V15 VanDerWaalsContact O-N 3.15Å |
| 14 | N | 67.5 | Low | 61 | Low | 159 Ų | 159 | 146.9 Ų | 146.9 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | | | trans | -62.9 | 110.7 | 170.5 | -66 | -29.6 | 0 | 0 | 0 | 108.4 | T16 | N14-T16 PolarHBondContact O-N 3.4Å; N14-T16 VanDerWaalsContact O-N 3.16Å |
| 15 | V | 60.2 | Low | 59.8 | Low | 128 Ų | 128 | 146.7 Ų | 146.7 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | -79.5 | 98 | 174 | -172.5 | 0 | 0 | 0 | 0 | 107.8 | G13 V17 | G13-V15 PolarHBondContact O-N 2.7Å; G13-V15 VanDerWaalsContact O-N 3.15Å; V15-V17 HydrophobicContact CG1-CG2 3.99Å; V15-V17 PolarHBondContact O-N 2.77Å |
| 16 | T | 65.5 | Low | 59.2 | Low | 122 Ų | 122 | 140.6 Ų | 140.6 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | trans | -75 | 100 | 163.5 | -56.4 | 0 | 0 | 0 | 0 | 107.5 | N14 C18 | N14-T16 PolarHBondContact O-N 3.4Å; N14-T16 VanDerWaalsContact O-N 3.16Å; T16-C18 PolarHBondContact O-N 2.93Å |
| 17 | V | 66.2 | Low | 58.3 | Low | 124 Ų | 124 | 143.7 Ų | 143.7 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | | | trans | -75.5 | 96.3 | 176.4 | -163 | 0 | 0 | 0 | 0 | 107.9 | V15 S19 | V15-V17 HydrophobicContact CG1-CG2 3.99Å; V15-V17 PolarHBondContact O-N 2.77Å; V17-S19 PolarHBondContact O-N 3.32Å |
| 18 | C | 59 | Low | 57.7 | Low | 105 Ų | 105 | 142.6 Ų | 142.6 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | | | trans | -61 | 132.8 | 172 | -80 | 0 | 0 | 0 | 0 | 110.4 | T16 L20 | T16-C18 PolarHBondContact O-N 2.93Å; C18-L20 PolarHBondContact O-N 3.41Å; C18-L20 VanDerWaalsContact O-N 3.17Å |
| 19 | S | 61.7 | Low | 57 | Low | 106 Ų | 106 | 139.6 Ų | 139.6 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | | | trans | -67.1 | 106.3 | -178.1 | -47.5 | 0 | 0 | 0 | 0 | 111.7 | V17 R21 | V17-S19 PolarHBondContact O-N 3.32Å; S19-R21 PolarHBondContact O-N 3.4Å |
| 20 | L | 58.9 | Low | 56.5 | Low | 160 Ų | 160 | 136.7 Ų | 136.7 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | | | trans | -83.8 | 101.1 | 160.8 | -66.7 | 172.8 | 0 | 0 | 0 | 107.7 | C18 L22 | C18-L20 PolarHBondContact O-N 3.41Å; C18-L20 VanDerWaalsContact O-N 3.17Å; L20-L22 PolarHBondContact O-N 3.17Å |
| 21 | R | 59.4 | Low | 55.7 | Low | 218 Ų | 218 | 135.5 Ų | 135.5 | 82% | 0.823 | 77% | 0.772 | S | S | * | * | | | trans | -72.5 | 108.8 | 162.7 | -74.1 | -176.1 | 177.4 | 92.7 | -0.8 | 107.2 | S19 | S19-R21 PolarHBondContact O-N 3.4Š|
| 22 | L | 62 | Low | 54.9 | Low | 151 Ų | 151 | 137 Ų | 137 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | | | trans | -87.9 | 106 | 161.3 | -107.6 | 73.6 | 0 | 0 | 0 | 107.2 | L20 S24 | L20-L22 PolarHBondContact O-N 3.17Å; L22-S24 PolarHBondContact O-N 3.49Å |
| 23 | D | 49.1 | Very low | 53.9 | Low | 156 Ų | 156 | 129.8 Ų | 129.8 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | | | trans | -76.5 | 100 | 165 | -70 | -35 | 0 | 0 | 0 | 108 | | |
| 24 | S | 53.4 | Low | 53.3 | Low | 92 Ų | 92 | 132.2 Ų | 132.2 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | | | trans | -117.8 | 106.3 | 164 | 58.7 | 0 | 0 | 0 | 0 | 108.4 | L22 T26 | L22-S24 PolarHBondContact O-N 3.49Å; S24-T26 PolarHBondContact O-N 3.23Å; S24-T26 VanDerWaalsContact O-N 3.13Å |
| 25 | T | 44.6 | Very low | 52 | Low | 143 Ų | 143 | 130.1 Ų | 130.1 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | | | trans | -80.5 | 86.6 | 172.5 | 58.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 26 | T | 48.9 | Very low | 50.8 | Low | 109 Ų | 109 | 129 Ų | 129 | 67% | 0.669 | 75% | 0.748 | S | S | * | * | | | trans | -127.6 | 118.3 | 161.8 | 53.4 | 0 | 0 | 0 | 0 | 107.8 | S24 S28 | S24-T26 PolarHBondContact O-N 3.23Å; S24-T26 VanDerWaalsContact O-N 3.13Å; T26-S28 PolarHBondContact O-N 3.36Å |
| 27 | K | 42.3 | Very low | 49.4 | Very low | 227 Ų | 227 | 133 Ų | 133 | 99% | 0.987 | 76% | 0.755 | S | S | * | * | | | trans | -50.1 | 95.8 | 177.5 | -66.9 | 173.2 | 176.5 | 177.8 | 0 | 110.5 | | |
| 28 | S | 47.7 | Very low | 48 | Very low | 103 Ų | 103 | 132.7 Ų | 132.7 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | | | trans | -122.7 | 114.8 | 160.3 | 66.3 | 0 | 0 | 0 | 0 | 107.2 | T26 S30 | T26-S28 PolarHBondContact O-N 3.36Å; S28-S30 PolarHBondContact O-N 3.04Å |
| 29 | S | 47.4 | Very low | 47.2 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | | | trans | -47.1 | 134.7 | 170.7 | 48.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 30 | S | 44.9 | Very low | 46.1 | Very low | 76 Ų | 76 | 140.5 Ų | 140.5 | 53% | 0.531 | 77% | 0.765 | S | S | . | * | | | trans | -48.3 | 153.8 | 158.4 | 61.4 | 0 | 0 | 0 | 0 | 108.6 | S28 Q32 | S28-S30 PolarHBondContact O-N 3.04Å; S30-Q32 PolarHBondContact O-N 3.24Å |
| 31 | P | 45.8 | Very low | 44.9 | Very low | 132 Ų | 132 | 137.4 Ų | 137.4 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | | | trans | -62.4 | 91 | 153.2 | 4.6 | 10.5 | 0 | 0 | 0 | 104.7 | S33 | P31-S33 VanDerWaalsContact C-N 3.35Å; P31-S33 PolarHBondContact O-N 3.06Å |
| 32 | Q | 43.1 | Very low | 44.7 | Very low | 154 Ų | 154 | 133.8 Ų | 133.8 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | | | trans | -54.7 | 109.3 | 164.4 | -80.1 | -176.3 | -19.8 | 0 | 0 | 104.4 | S30 P34 | S30-Q32 PolarHBondContact O-N 3.24Å; Q32-P34 WeakPolarHBondContact O-CD 3.35Å |
| 33 | S | 43.5 | Very low | 44.1 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | | | trans | -42.1 | 117.7 | 153.3 | 173.6 | 0 | 0 | 0 | 0 | 105.9 | P31 N35 | P31-S33 VanDerWaalsContact C-N 3.35Å; P31-S33 PolarHBondContact O-N 3.06Å; S33-N35 VanDerWaalsContact C-N 3.27Å; S33-N35 PolarHBondContact O-N 3.21Å |
| 34 | P | 48 | Very low | 44.1 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | | | trans | -63.5 | 102.5 | 174.8 | 25 | -29.8 | 0 | 0 | 0 | 106.6 | Q32 | Q32-P34 WeakPolarHBondContact O-CD 3.35Š|
| 35 | N | 40.9 | Very low | 44.3 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 62% | 0.62 | 76% | 0.756 | S | S | * | * | | | trans | 64 | 110.7 | 139 | -53.7 | -30.3 | 0 | 0 | 0 | 115.6 | S33 K37 | S33-N35 VanDerWaalsContact C-N 3.27Å; S33-N35 PolarHBondContact O-N 3.21Å; N35-K37 PolarHBondContact O-N 2.88Å |
| 36 | S | 35.1 | Very low | 44.5 | Very low | 103 Ų | 103 | 141 Ų | 141 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | S | Bend | | -9.9 | 125.2 | 123 | 52.5 | 0 | 0 | 0 | 0 | 114 | | |
| 37 | K | 35.3 | Very low | 44.6 | Very low | 206 Ų | 206 | 142.4 Ų | 142.4 | 90% | 0.896 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 66 | 53.2 | 142.5 | -153.6 | 177.7 | -167.1 | 174.6 | 0 | 115.4 | N35 | N35-K37 PolarHBondContact O-N 2.88Š|
| 38 | T | 36.4 | Very low | 45.1 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | | | trans | -151.8 | 65.1 | 156.2 | -49.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 39 | Q | 43.1 | Very low | 45.4 | Very low | 188 Ų | 188 | 143 Ų | 143 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | | | trans | -127.9 | 49.3 | 147.9 | -70 | -171.2 | -0.2 | 0 | 0 | 108.2 | | |
| 40 | K | 37.6 | Very low | 45.7 | Very low | 187 Ų | 187 | 147.2 Ų | 147.2 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | | | trans | -78.2 | 120.6 | 155 | -174.9 | 177.6 | 179.1 | -176.9 | 0 | 104.7 | | |
| 41 | T | 34.8 | Very low | 46.2 | Very low | 95 Ų | 95 | 150.2 Ų | 150.2 | 58% | 0.583 | 76% | 0.758 | S | S | * | * | | | trans | 79.4 | 67.5 | 168.5 | -41.4 | 0 | 0 | 0 | 0 | 116.1 | E43 | T41-E43 VanDerWaalsContact C-N 3.29Å; T41-E43 HydrophobicContact CG2-CB 4.09Å; T41-E43 HydrophobicContact CG2-CG 3.65Å |
| 42 | V | 55.4 | Low | 46.6 | Very low | 141 Ų | 141 | 149.2 Ų | 149.2 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | | | trans | -94.3 | 81.2 | 134.3 | -178.4 | 0 | 0 | 0 | 0 | 105.2 | R44 | V42-R44 PolarHBondContact O-N 3.16Š|
| 43 | E | 49.9 | Very low | 47.4 | Very low | 150 Ų | 150 | 148.9 Ų | 148.9 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | | | trans | -61.7 | 121.2 | 173.8 | -90.9 | -174.7 | -168.5 | 0 | 0 | 109.5 | T41 I45 | T41-E43 VanDerWaalsContact C-N 3.29Å; T41-E43 HydrophobicContact CG2-CB 4.09Å; T41-E43 HydrophobicContact CG2-CG 3.65Å; E43-I45 PolarHBondContact O-N 3.12Å |
| 44 | R | 47.9 | Very low | 48.4 | Very low | 227 Ų | 227 | 152.1 Ų | 152.1 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | | | trans | 18.3 | 100.1 | 137.9 | -62.5 | -177.8 | -173.2 | -173.3 | 3.3 | 114.4 | V42 | V42-R44 PolarHBondContact O-N 3.16Š|
| 45 | I | 57.3 | Low | 49.9 | Very low | 143 Ų | 143 | 154.3 Ų | 154.3 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | | | trans | -115.6 | 69 | 145.2 | -51.4 | -179.5 | 0 | 0 | 0 | 106.6 | E43 D47 | E43-I45 PolarHBondContact O-N 3.12Å; I45-D47 HydrophobicContact CG2-CB 3.94Å; I45-D47 PolarHBondContact O-N 3.48Å |
| 46 | K | 50.2 | Low | 52.1 | Low | 175 Ų | 175 | 153.9 Ų | 153.9 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | | | trans | -79.7 | 71.2 | 154.9 | -76 | -172 | 176.2 | -172.3 | 0 | 106.8 | | |
| 47 | D | 50.7 | Low | 54.6 | Low | 138 Ų | 138 | 155 Ų | 155 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | | | trans | -104.6 | 71.5 | 166.4 | -80.9 | -30.4 | 0 | 0 | 0 | 108.4 | I45 K49 | I45-D47 HydrophobicContact CG2-CB 3.94Å; I45-D47 PolarHBondContact O-N 3.48Å; D47-K49 PolarHBondContact O-N 2.94Å |
| 48 | D | 52.9 | Low | 57.3 | Low | 141 Ų | 141 | 151.6 Ų | 151.6 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 70.6 | 171.3 | -59.8 | -49.2 | 0 | 0 | 0 | 109.8 | | |
| 49 | K | 54 | Low | 59.9 | Low | 202 Ų | 202 | 149.1 Ų | 149.1 | 88% | 0.878 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.4 | -9.6 | 161.4 | -118.1 | 157.3 | -177.2 | 172.2 | 0 | 121.4 | D47 | D47-K49 PolarHBondContact O-N 2.94Š|
| 50 | K | 52.9 | Low | 62.2 | Low | 196 Ų | 196 | 143.8 Ų | 143.8 | 85% | 0.852 | 72% | 0.715 | S | S | * | * | | | trans | -155 | 95 | -174.5 | -98.5 | 177.7 | 176.2 | 174.4 | 0 | 112.2 | | |
| 51 | K | 55.8 | Low | 64.8 | Low | 139 Ų | 139 | 139.9 Ų | 139.9 | 60% | 0.604 | 70% | 0.7 | S | S | * | * | | | trans | -179.9 | 76.2 | 153.8 | -101.9 | 151.3 | -174.1 | 170.9 | 0 | 111.2 | R54 | K51-R54 HydrophobicContact CB-CB 4.48Å; K51-R54 HydrophobicContact CD-CB 4.23Å; K51-R54 HydrophobicContact CG-CB 4.19Å |
| 52 | S | 52.9 | Low | 67.6 | Low | 111 Ų | 111 | 142.1 Ų | 142.1 | 78% | 0.776 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | 135.3 | 139.4 | 44.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 53 | T | 61.5 | Low | 69.5 | Low | 146 Ų | 146 | 143.4 Ų | 143.4 | 90% | 0.896 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.2 | 31.4 | 166.4 | 10.4 | 0 | 0 | 0 | 0 | 120.2 | | |
| 54 | R | 64.8 | Low | 71.7 | Confident | 165 Ų | 165 | 143.4 Ų | 143.4 | 62% | 0.623 | 69% | 0.689 | S | S | * | * | | | trans | -103.1 | 127.5 | 160.3 | -158.9 | 176.3 | -168 | -170.6 | 5.5 | 109.2 | K51 I56 | K51-R54 HydrophobicContact CB-CB 4.48Å; K51-R54 HydrophobicContact CD-CB 4.23Å; K51-R54 HydrophobicContact CG-CB 4.19Å; R54-I56 HydrophobicContact CB-CG1 4.33Å; R54-I56 PolarHBondContact O-N 3.12Å |
| 55 | T | 78.9 | Confident | 73.9 | Confident | 152 Ų | 152 | 138.3 Ų | 138.3 | 93% | 0.933 | 68% | 0.675 | S | S | * | * | | | trans | -64.7 | 83.9 | 173 | -46.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 56 | I | 85.8 | Confident | 75.7 | Confident | 107 Ų | 107 | 139.5 Ų | 139.5 | 55% | 0.549 | 68% | 0.675 | S | S | . | * | | | trans | -84.5 | 136.8 | 175.1 | -64.7 | 165.6 | 0 | 0 | 0 | 106.9 | R54 N58 | R54-I56 HydrophobicContact CB-CG1 4.33Å; R54-I56 PolarHBondContact O-N 3.12Å; I56-N58 PolarHBondContact O-N 3.16Å; I56-N58 PolarHBondContact O-OD1 3.15Å; I56-N58 VanDerWaalsContact O-OD1 3.09Å |
| 57 | Y | 88.8 | Confident | 77.9 | Confident | 128 Ų | 128 | 137 Ų | 137 | 50% | 0.502 | 67% | 0.674 | S | S | . | * | | | trans | -68.6 | 117 | 169.8 | -179.5 | -111.9 | 0 | 0 | 0 | 108.5 | V59 Y63 | Y57-V59 HydrophobicContact CE1-CB 3.92Å; Y57-V59 WeakPolarHBondContact CE1-O 2.99Å; Y57-V59 HydrophobicContact CE2-CB 4.31Å; Y57-Y63 AromaticContact CD1-CE2 3.91Å; Y57-Y63 HydrophobicContact CD1-CE2 3.91Å; Y57-Y63 AromaticContact CE1-CE2 3.73Å; Y57-Y63 HydrophobicContact CE1-CE2 3.73Å |
| 58 | N | 91.6 | Very high | 80.1 | Confident | 133 Ų | 133 | 136.9 Ų | 136.9 | 71% | 0.711 | 67% | 0.668 | S | S | * | * | | | trans | -92.6 | 10.8 | -168.4 | -66.3 | -25.8 | 0 | 0 | 0 | 114.2 | I56 P60 | I56-N58 PolarHBondContact O-N 3.16Å; I56-N58 PolarHBondContact O-OD1 3.15Å; I56-N58 VanDerWaalsContact O-OD1 3.09Å; N58-P60 VanDerWaalsContact C-CD 3.42Å; N58-P60 VanDerWaalsContact O-CD 3.27Å; N58-P60 WeakPolarHBondContact O-CD 3.23Å |
| 59 | V | 91.1 | Very high | 82.1 | Confident | 68 Ų | 68 | 131.7 Ų | 131.7 | 41% | 0.412 | 64% | 0.642 | S | S | . | * | | | trans | -119.5 | 70.2 | -175.8 | -172.2 | 0 | 0 | 0 | 0 | 110.1 | Y57 E61 Y62 | Y57-V59 HydrophobicContact CE1-CB 3.92Å; Y57-V59 WeakPolarHBondContact CE1-O 2.99Å; Y57-V59 HydrophobicContact CE2-CB 4.31Å; V59-E61 VanDerWaalsContact CA-OE2 3.23Å; V59-E61 WeakPolarHBondContact CA-OE2 3.46Å; V59-E61 VanDerWaalsContact CG1-OE2 3.3Å; V59-E61 WeakPolarHBondContact CG1-OE2 3.3Å; V59-E61 PolarHBondContact O-N 3.14Å; V59-Y62 PolarHBondContact O-N 2.96Å |
| 60 | P | 92.2 | Very high | 84.2 | Confident | 75 Ų | 75 | 128.9 Ų | 128.9 | 49% | 0.487 | 63% | 0.63 | S | S | . | * | G | 310 helix | trans | -61.5 | -25.6 | 178.2 | 27.9 | -35.7 | 0 | 0 | 0 | 112.6 | N58 Y62 Y63 | N58-P60 VanDerWaalsContact C-CD 3.42Å; N58-P60 VanDerWaalsContact O-CD 3.27Å; N58-P60 WeakPolarHBondContact O-CD 3.23Å; P60-Y62 PolarHBondContact O-N 3.04Å; P60-Y62 VanDerWaalsContact O-N 3.15Å; P60-Y63 PolarHBondContact O-N 3.14Å; P60-Y63 VanDerWaalsContact O-N 3.16Å |
| 61 | E | 92.4 | Very high | 86.3 | Confident | 105 Ų | 105 | 126.2 Ų | 126.2 | 49% | 0.491 | 62% | 0.615 | S | S | . | * | G | 310 helix | trans | -58.9 | -30.6 | -176.9 | -54.8 | 81.3 | -179.4 | 0 | 0 | 111.7 | V59 Y63 E64 H65 | V59-E61 VanDerWaalsContact CA-OE2 3.23Å; V59-E61 WeakPolarHBondContact CA-OE2 3.46Å; V59-E61 VanDerWaalsContact CG1-OE2 3.3Å; V59-E61 WeakPolarHBondContact CG1-OE2 3.3Å; V59-E61 PolarHBondContact O-N 3.14Å; E61-Y63 PolarHBondContact O-N 3.34Å; E61-Y63 VanDerWaalsContact O-N 3.12Å; E61-E64 WeakPolarHBondContact O-CB 3.27Å; E61-E64 PolarHBondContact O-N 3.15Å; E61-H65 PolarHBondContact O-CD2 3.16Å |
| 62 | Y | 93.8 | Very high | 88.2 | Confident | 143 Ų | 143 | 123 Ų | 123 | 56% | 0.561 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -54.3 | -33.9 | 179.6 | -179 | -101.8 | 0 | 0 | 0 | 112.9 | V59 P60 E64 H65 | V59-Y62 PolarHBondContact O-N 2.96Å; P60-Y62 PolarHBondContact O-N 3.04Å; P60-Y62 VanDerWaalsContact O-N 3.15Å; Y62-E64 VanDerWaalsContact C-N 3.3Å; Y62-E64 PolarHBondContact O-N 3.18Å; Y62-H65 PolarHBondContact O-CD2 2.8Å |
| 63 | Y | 94.6 | Very high | 90.3 | Very high | 167 Ų | 167 | 122 Ų | 122 | 66% | 0.655 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -82.8 | -7.2 | -178.4 | -57 | -73.1 | 0 | 0 | 0 | 113.5 | Y57 P60 E61 | Y57-Y63 AromaticContact CD1-CE2 3.91Å; Y57-Y63 HydrophobicContact CD1-CE2 3.91Å; Y57-Y63 AromaticContact CE1-CE2 3.73Å; Y57-Y63 HydrophobicContact CE1-CE2 3.73Å; P60-Y63 PolarHBondContact O-N 3.14Å; P60-Y63 VanDerWaalsContact O-N 3.16Å; E61-Y63 PolarHBondContact O-N 3.34Å; E61-Y63 VanDerWaalsContact O-N 3.12Å |
| 64 | E | 94.9 | Very high | 92 | Very high | 150 Ų | 150 | 118.7 Ų | 118.7 | 70% | 0.701 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -95.7 | 0.8 | -177.8 | -57.3 | -174.7 | 171 | 0 | 0 | 113.1 | E61 Y62 K66 | E61-E64 WeakPolarHBondContact O-CB 3.27Å; E61-E64 PolarHBondContact O-N 3.15Å; Y62-E64 VanDerWaalsContact C-N 3.3Å; Y62-E64 PolarHBondContact O-N 3.18Å; E64-K66 PolarHBondContact O-N 3.09Å |
| 65 | H | 95.1 | Very high | 93.5 | Very high | 121 Ų | 121 | 117 Ų | 117 | 56% | 0.56 | 57% | 0.566 | S | S | * | * | | | trans | -67.3 | 124.7 | -178.1 | -71.6 | -125.2 | 0 | 0 | 0 | 111.4 | E61 Y62 | E61-H65 PolarHBondContact O-CD2 3.16Å; Y62-H65 PolarHBondContact O-CD2 2.8Å |
| 66 | K | 95.4 | Very high | 94.4 | Very high | 167 Ų | 167 | 115.6 Ų | 115.6 | 73% | 0.726 | 55% | 0.549 | S | S | * | . | | | trans | -87.8 | 163.7 | 170 | -57.3 | -176.4 | -177.2 | 176.6 | 0 | 110.6 | E64 F68 C69 | E64-K66 PolarHBondContact O-N 3.09Å; K66-F68 PolarHBondContact O-N 3.29Å; K66-C69 PolarHBondContact N-SG 3.44Å; K66-C69 PolarHBondContact O-N 3Å; K66-C69 VanDerWaalsContact O-N 3.14Å |
| 67 | T | 95.8 | Very high | 95 | Very high | 123 Ų | 123 | 115 Ų | 115 | 76% | 0.755 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | -35.7 | -178.7 | -48.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 68 | F | 96.8 | Very high | 95.4 | Very high | 136 Ų | 136 | 116.3 Ų | 116.3 | 60% | 0.596 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | 8.5 | -174.1 | -60.6 | -70.7 | 0 | 0 | 0 | 114.6 | K66 F70 Y71 D72 | K66-F68 PolarHBondContact O-N 3.29Å; F68-F70 PolarHBondContact O-N 3.25Å; F68-Y71 AromaticContact CD1-CD2 3.99Å; F68-Y71 HydrophobicContact CD1-CD2 3.99Å; F68-Y71 HydrophobicContact CD1-CE2 4.3Å; F68-Y71 PolarHBondContact O-N 3.42Å; F68-D72 PolarHBondContact O-N 3.32Å; F68-D72 VanDerWaalsContact O-N 3.14Å |
| 69 | C | 95.9 | Very high | 95.6 | Very high | 32 Ų | 32 | 120.8 Ų | 120.8 | 22% | 0.216 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -54.3 | -32.6 | -178.4 | -80.1 | 0 | 0 | 0 | 0 | 113.3 | K66 Y71 D72 L73 | K66-C69 PolarHBondContact N-SG 3.44Å; K66-C69 PolarHBondContact O-N 3Å; K66-C69 VanDerWaalsContact O-N 3.14Å; C69-Y71 PolarHBondContact O-N 3.49Å; C69-D72 PolarHBondContact O-N 3.02Å; C69-L73 WeakPolarHBondContact O-CB 3.46Å; C69-L73 VanDerWaalsContact O-CG 3.28Å; C69-L73 WeakPolarHBondContact O-CG 3.3Å; C69-L73 PolarHBondContact O-N 2.83Å |
| 70 | F | 96.6 | Very high | 95.9 | Very high | 142 Ų | 142 | 125.7 Ų | 125.7 | 62% | 0.623 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -57.3 | -48.3 | 175 | 175.6 | -94.6 | 0 | 0 | 0 | 112.6 | F68 L73 E74 | F68-F70 PolarHBondContact O-N 3.25Å; F70-L73 PolarHBondContact O-N 2.92Å; F70-E74 PolarHBondContact O-N 3.29Å |
| 71 | Y | 97.8 | Very high | 96.2 | Very high | 140 Ų | 140 | 128.4 Ų | 128.4 | 55% | 0.549 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -73 | -35.1 | -178.7 | -62.5 | -73 | 0 | 0 | 0 | 112 | F68 C69 L73 E74 M75 | F68-Y71 AromaticContact CD1-CD2 3.99Å; F68-Y71 HydrophobicContact CD1-CD2 3.99Å; F68-Y71 HydrophobicContact CD1-CE2 4.3Å; F68-Y71 PolarHBondContact O-N 3.42Å; C69-Y71 PolarHBondContact O-N 3.49Å; Y71-L73 VanDerWaalsContact C-N 3.34Å; Y71-E74 PolarHBondContact O-N 2.9Å; Y71-M75 WeakPolarHBondContact O-CB 3.46Å; Y71-M75 PolarHBondContact O-N 3.48Å |
| 72 | D | 96.1 | Very high | 96.4 | Very high | 73 Ų | 73 | 130.6 Ų | 130.6 | 39% | 0.39 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.1 | -46.4 | 174.4 | -65.4 | -33.3 | 0 | 0 | 0 | 110.9 | F68 C69 M75 Q76 | F68-D72 PolarHBondContact O-N 3.32Å; F68-D72 VanDerWaalsContact O-N 3.14Å; C69-D72 PolarHBondContact O-N 3.02Å; D72-M75 PolarHBondContact O-N 3.04Å; D72-Q76 VanDerWaalsContact O-CG 3.3Å; D72-Q76 WeakPolarHBondContact O-CG 3.28Å; D72-Q76 PolarHBondContact O-N 3.35Å |
| 73 | L | 96.7 | Very high | 96.5 | Very high | 90 Ų | 90 | 129.3 Ų | 129.3 | 47% | 0.471 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.7 | -42.4 | 176.1 | -71.1 | 172.7 | 0 | 0 | 0 | 111.7 | C69 F70 Y71 M75 Q76 L77 | C69-L73 WeakPolarHBondContact O-CB 3.46Å; C69-L73 VanDerWaalsContact O-CG 3.28Å; C69-L73 WeakPolarHBondContact O-CG 3.3Å; C69-L73 PolarHBondContact O-N 2.83Å; F70-L73 PolarHBondContact O-N 2.92Å; Y71-L73 VanDerWaalsContact C-N 3.34Å; L73-M75 VanDerWaalsContact C-N 3.32Å; L73-M75 PolarHBondContact O-N 3.24Å; L73-Q76 PolarHBondContact O-N 2.94Å; L73-L77 WeakPolarHBondContact O-CB 3.26Å; L73-L77 VanDerWaalsContact O-CG 3.26Å; L73-L77 WeakPolarHBondContact O-CG 3.4Å; L73-L77 PolarHBondContact O-N 3.27Å |
| 74 | E | 97.1 | Very high | 96.7 | Very high | 76 Ų | 76 | 128.9 Ų | 128.9 | 36% | 0.355 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -57.6 | -45.5 | 174.7 | 166 | 156.3 | -128.9 | 0 | 0 | 112 | F70 Y71 Q76 L77 K78 R81 | F70-E74 PolarHBondContact O-N 3.29Å; Y71-E74 PolarHBondContact O-N 2.9Å; E74-Q76 VanDerWaalsContact C-N 3.34Å; E74-Q76 PolarHBondContact O-N 3.05Å; E74-L77 PolarHBondContact O-N 3.42Å; E74-K78 PolarHBondContact O-N 3.46Å; E74-R81 IonicContact OE1-CZ 3.6Å; E74-R81 IonicContact OE1-NH1 2.94Å; E74-R81 PolarHBondContact OE1-NH1 3.43Å; E74-R81 IonicContact OE1-NH2 3.24Å; E74-R81 PolarHBondContact OE1-NH2 2.8Å |
| 75 | M | 97 | Very high | 96.8 | Very high | 130 Ų | 130 | 127.1 Ų | 127.1 | 64% | 0.64 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.2 | -40.4 | 178.8 | -176.2 | 174.8 | 59.7 | 0 | 0 | 111.8 | Y71 D72 L73 K78 | Y71-M75 WeakPolarHBondContact O-CB 3.46Å; Y71-M75 PolarHBondContact O-N 3.48Å; D72-M75 PolarHBondContact O-N 3.04Å; L73-M75 VanDerWaalsContact C-N 3.32Å; L73-M75 PolarHBondContact O-N 3.24Å; M75-K78 WeakPolarHBondContact O-CB 3.45Å |
| 76 | Q | 97.3 | Very high | 96.8 | Very high | 122 Ų | 122 | 127.9 Ų | 127.9 | 57% | 0.57 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.6 | -43.1 | 175.4 | -70.7 | 172.8 | 19.6 | 0 | 0 | 111.9 | D72 L73 E74 K78 | D72-Q76 VanDerWaalsContact O-CG 3.3Å; D72-Q76 WeakPolarHBondContact O-CG 3.28Å; D72-Q76 PolarHBondContact O-N 3.35Å; L73-Q76 PolarHBondContact O-N 2.94Å; E74-Q76 VanDerWaalsContact C-N 3.34Å; E74-Q76 PolarHBondContact O-N 3.05Å; Q76-K78 VanDerWaalsContact C-N 3.3Å; Q76-K78 PolarHBondContact O-N 2.93Å |
| 77 | L | 97.6 | Very high | 96.8 | Very high | 95 Ų | 95 | 126.4 Ų | 126.4 | 50% | 0.497 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -71.6 | -22 | -178.1 | -70.8 | 173 | 0 | 0 | 0 | 113.4 | L73 E74 R79 F80 | L73-L77 WeakPolarHBondContact O-CB 3.26Å; L73-L77 VanDerWaalsContact O-CG 3.26Å; L73-L77 WeakPolarHBondContact O-CG 3.4Å; L73-L77 PolarHBondContact O-N 3.27Å; E74-L77 PolarHBondContact O-N 3.42Å; L77-R79 PolarHBondContact O-N 3.4Å; L77-F80 PolarHBondContact O-N 3.15Å |
| 78 | K | 97.2 | Very high | 96.5 | Very high | 155 Ų | 155 | 128.9 Ų | 128.9 | 67% | 0.674 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -51.3 | -33.2 | -176.6 | -171.7 | 174.3 | -179.5 | 175.3 | 0 | 113.9 | E74 M75 Q76 F80 | E74-K78 PolarHBondContact O-N 3.46Å; M75-K78 WeakPolarHBondContact O-CB 3.45Å; Q76-K78 VanDerWaalsContact C-N 3.3Å; Q76-K78 PolarHBondContact O-N 2.93Å; K78-F80 VanDerWaalsContact C-N 3.29Å; K78-F80 PolarHBondContact O-N 3.03Å |
| 79 | R | 96.3 | Very high | 96.5 | Very high | 226 Ų | 226 | 128.5 Ų | 128.5 | 85% | 0.853 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -71.5 | -21.2 | -179.5 | -60.9 | -179.5 | -177 | -179.7 | 0.8 | 113.9 | L77 | L77-R79 PolarHBondContact O-N 3.4Š|
| 80 | F | 98.1 | Very high | 96.5 | Very high | 172 Ų | 172 | 133.6 Ų | 133.6 | 75% | 0.754 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -101.5 | -2.5 | -176.6 | -55.2 | -75.9 | 0 | 0 | 0 | 112.8 | L77 K78 | L77-F80 PolarHBondContact O-N 3.15Å; K78-F80 VanDerWaalsContact C-N 3.29Å; K78-F80 PolarHBondContact O-N 3.03Å |
| 81 | R | 97.5 | Very high | 96.5 | Very high | 131 Ų | 131 | 133.1 Ų | 133.1 | 49% | 0.494 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -78.5 | 141.6 | -180 | -65.9 | -175 | -178.1 | 169.3 | 0.8 | 110.7 | E74 | E74-R81 IonicContact OE1-CZ 3.6Å; E74-R81 IonicContact OE1-NH1 2.94Å; E74-R81 PolarHBondContact OE1-NH1 3.43Å; E74-R81 IonicContact OE1-NH2 3.24Å; E74-R81 PolarHBondContact OE1-NH2 2.8Å |
| 82 | L | 97.5 | Very high | 96.4 | Very high | 151 Ų | 151 | 132.7 Ų | 132.7 | 79% | 0.791 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 156.3 | 166.8 | -67.1 | 177.7 | 0 | 0 | 0 | 110.6 | | |
| 83 | P | 96.3 | Very high | 96.4 | Very high | 117 Ų | 117 | 136.4 Ų | 136.4 | 76% | 0.76 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 144.8 | 172.1 | 26.7 | -35.1 | 0 | 0 | 0 | 110.5 | | |
| 84 | Q | 97 | Very high | 96.4 | Very high | 158 Ų | 158 | 139.5 Ų | 139.5 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 144.3 | 172.5 | -65.8 | -64.4 | -73.2 | 0 | 0 | 109.7 | | |
| 85 | P | 97.5 | Very high | 96.4 | Very high | 113 Ų | 113 | 144.1 Ų | 144.1 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 143.8 | 176.3 | 27.5 | -34 | 0 | 0 | 0 | 110.6 | | |
| 86 | N | 96 | Very high | 96.3 | Very high | 137 Ų | 137 | 145.2 Ų | 145.2 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 142.3 | 171.4 | -67.1 | -39.4 | 0 | 0 | 0 | 109.4 | S88 | N86-S88 VanDerWaalsContact C-N 3.29Å; N86-S88 PolarHBondContact O-N 3.46Å |
| 87 | P | 95 | Very high | 96.2 | Very high | 136 Ų | 136 | 147.1 Ų | 147.1 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | | | trans | -79.7 | -6.5 | -179.7 | 32.2 | -36.5 | 0 | 0 | 0 | 114.5 | | |
| 88 | S | 89 | Confident | 96.1 | Very high | 174 Ų | 174 | 151.8 Ų | 151.8 | 100% | 1.217 | 79% | 0.785 | S | S | * | * | | | trans | -86.3 | 0 | -177.6 | -56.3 | 0 | 0 | 0 | 0 | 112.2 | N86 | N86-S88 VanDerWaalsContact C-N 3.29Å; N86-S88 PolarHBondContact O-N 3.46Å |