| 1 | M | 37.4 | Very low | 44 | Very low | 236 Ų | 236 | 171.4 Ų | 171.4 | 100% | 1.163 | 84% | 0.835 | S | S | * | * | | | | 0 | 84.5 | 0 | -75.3 | 178.9 | 81 | 0 | 0 | 109.7 | | |
| 2 | L | 44.7 | Very low | 44.6 | Very low | 174 Ų | 174 | 169.2 Ų | 169.2 | 91% | 0.911 | 83% | 0.83 | S | S | * | * | | | trans | -141.6 | 46.5 | 175 | -82 | 171.7 | 0 | 0 | 0 | 110.2 | | |
| 3 | I | 46.7 | Very low | 44.6 | Very low | 174 Ų | 174 | 164 Ų | 164 | 89% | 0.892 | 82% | 0.821 | S | S | * | * | | | trans | -111.3 | -1.4 | 176.1 | -64.5 | 170.3 | 0 | 0 | 0 | 111.6 | | |
| 4 | S | 49 | Very low | 44.7 | Very low | 100 Ų | 100 | 164.7 Ų | 164.7 | 70% | 0.699 | 83% | 0.827 | S | S | * | * | | | trans | -108.6 | 94.9 | 178.6 | 59 | 0 | 0 | 0 | 0 | 109.7 | | |
| 5 | L | 50.2 | Low | 44.6 | Very low | 144 Ų | 144 | 161 Ų | 161 | 75% | 0.754 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -168.1 | 109.9 | 149.1 | -95.7 | 152.5 | 0 | 0 | 0 | 108.3 | | |
| 6 | F | 44.4 | Very low | 44.4 | Very low | 171 Ų | 171 | 159.8 Ų | 159.8 | 75% | 0.75 | 82% | 0.821 | S | S | * | * | | | trans | 70.6 | 80.8 | 165.9 | -60.6 | -74.9 | 0 | 0 | 0 | 116.2 | | |
| 7 | R | 38.4 | Very low | 44.4 | Very low | 218 Ų | 218 | 156.4 Ų | 156.4 | 82% | 0.823 | 82% | 0.815 | S | S | * | * | | | | 44.9 | 98.9 | 61.2 | -81.5 | -161.3 | 171.6 | -158.2 | -2 | 113.5 | | |
| 8 | F | 40.6 | Very low | 44.5 | Very low | 180 Ų | 180 | 156.8 Ų | 156.8 | 79% | 0.789 | 82% | 0.816 | S | S | * | * | | | trans | 43.2 | 86.9 | 135.4 | -62.5 | -81.5 | 0 | 0 | 0 | 116.4 | N10 | F8-N10 PolarHBondContact O-N 3.46Š|
| 9 | Y | 44.3 | Very low | 44.5 | Very low | 217 Ų | 217 | 152.8 Ų | 152.8 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | | | trans | -75.9 | 107.9 | 139.8 | -77.4 | -79.1 | 0 | 0 | 0 | 107.1 | | |
| 10 | N | 38.7 | Very low | 44.2 | Very low | 133 Ų | 133 | 151 Ų | 151 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | | | trans | -47 | 132 | 175.2 | -73.3 | -37.1 | 0 | 0 | 0 | 111.4 | F8 D12 | F8-N10 PolarHBondContact O-N 3.46Å; N10-D12 PolarHBondContact O-N 2.8Å |
| 11 | V | 49.6 | Very low | 44.1 | Very low | 138 Ų | 138 | 154.5 Ų | 154.5 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -84.4 | 9.1 | -178.5 | -169.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 12 | D | 50.9 | Low | 44.3 | Very low | 145 Ų | 145 | 151.8 Ų | 151.8 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -102.8 | 10.7 | -162 | -68 | -28 | 0 | 0 | 0 | 116.8 | N10 | N10-D12 PolarHBondContact O-N 2.8Š|
| 13 | S | 45.3 | Very low | 44.4 | Very low | 102 Ų | 102 | 151 Ų | 151 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | | | trans | -161.3 | 73.2 | 176.2 | 48.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 14 | L | 46.1 | Very low | 44.6 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 91% | 0.911 | 76% | 0.762 | S | S | * | * | | | trans | -123.6 | 110.6 | 147.1 | -81.4 | 170.3 | 0 | 0 | 0 | 109 | | |
| 15 | P | 42.1 | Very low | 44.7 | Very low | 109 Ų | 109 | 148.8 Ų | 148.8 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | | | trans | -75.4 | 141 | -175 | 30.5 | -32.8 | 0 | 0 | 0 | 111.3 | S17 | P15-S17 PolarHBondContact O-N 2.88Å; P15-S17 VanDerWaalsContact O-N 3.11Å |
| 16 | V | 41.4 | Very low | 44.8 | Very low | 141 Ų | 141 | 150.2 Ų | 150.2 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | | | trans | -2.1 | 97.7 | 144.4 | -174.2 | 0 | 0 | 0 | 0 | 114 | | |
| 17 | S | 45.3 | Very low | 45 | Very low | 102 Ų | 102 | 150.1 Ų | 150.1 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | | | trans | -141.8 | 62.8 | 141.5 | 54 | 0 | 0 | 0 | 0 | 108.3 | P15 A19 | P15-S17 PolarHBondContact O-N 2.88Å; P15-S17 VanDerWaalsContact O-N 3.11Å; S17-A19 PolarHBondContact O-N 3.01Å |
| 18 | I | 46.1 | Very low | 45.5 | Very low | 164 Ų | 164 | 144.7 Ų | 144.7 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | | | trans | -70.8 | 64.8 | 147.3 | -54.7 | 164.3 | 0 | 0 | 0 | 105.3 | | |
| 19 | A | 43.9 | Very low | 45.8 | Very low | 82 Ų | 82 | 144 Ų | 144 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | | | trans | -101.5 | 80.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 103.8 | S17 | S17-A19 PolarHBondContact O-N 3.01Š|
| 20 | N | 39.1 | Very low | 46 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 62% | 0.62 | 76% | 0.755 | S | S | * | * | | | | 60.9 | 105.6 | 110.9 | -86.3 | -0.9 | 0 | 0 | 0 | 113.6 | | |
| 21 | W | 40.8 | Very low | 46.9 | Very low | 224 Ų | 224 | 142 Ų | 142 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | | | trans | 72.1 | 95.9 | 130.2 | -54.5 | 17 | 0 | 0 | 0 | 115 | | |
| 22 | E | 43.4 | Very low | 47.2 | Very low | 180 Ų | 180 | 141 Ų | 141 | 84% | 0.841 | 75% | 0.75 | S | S | * | * | | | | -168 | 108.9 | 118.4 | -103.2 | 169.9 | -169 | 0 | 0 | 105.9 | P24 | E22-P24 VanDerWaalsContact C-CD 3.44Å; E22-P24 WeakPolarHBondContact O-CD 3.46Å |
| 23 | I | 46.7 | Very low | 47.3 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | | | trans | -79.2 | 96.4 | 157.2 | -64.5 | 158.3 | 0 | 0 | 0 | 102.7 | D25 | I23-D25 PolarHBondContact O-N 2.89Š|
| 24 | P | 50 | Low | 47.7 | Very low | 75 Ų | 75 | 143.2 Ų | 143.2 | 49% | 0.487 | 75% | 0.748 | S | S | . | * | | | trans | -70.2 | 123 | 166 | 33.4 | -34.9 | 0 | 0 | 0 | 105 | E22 K26 | E22-P24 VanDerWaalsContact C-CD 3.44Å; E22-P24 WeakPolarHBondContact O-CD 3.46Å; P24-K26 HydrophobicContact CB-CD 4.16Å; P24-K26 HydrophobicContact CB-CG 3.99Å; P24-K26 HydrophobicContact CG-CD 4.04Å; P24-K26 HydrophobicContact CG-CG 4.22Å; P24-K26 PolarHBondContact O-N 3.09Å |
| 25 | D | 50.9 | Low | 47.9 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | | | trans | -56.8 | 56 | 166.6 | -75.2 | -41 | 0 | 0 | 0 | 111.5 | I23 Q27 | I23-D25 PolarHBondContact O-N 2.89Å; D25-Q27 PolarHBondContact O-N 3.07Å |
| 26 | K | 52 | Low | 48.2 | Very low | 173 Ų | 173 | 146.5 Ų | 146.5 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | | | trans | -84 | 80.5 | 175.2 | -72.3 | -179.4 | -174.4 | -177 | 0 | 105.7 | P24 V28 | P24-K26 HydrophobicContact CB-CD 4.16Å; P24-K26 HydrophobicContact CB-CG 3.99Å; P24-K26 HydrophobicContact CG-CD 4.04Å; P24-K26 HydrophobicContact CG-CG 4.22Å; P24-K26 PolarHBondContact O-N 3.09Å; K26-V28 PolarHBondContact O-N 2.72Å |
| 27 | Q | 49.6 | Very low | 48.3 | Very low | 169 Ų | 169 | 148.4 Ų | 148.4 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | | | trans | 22.9 | 93.9 | 137.9 | -72.6 | 173.6 | -2.3 | 0 | 0 | 111.4 | D25 H29 | D25-Q27 PolarHBondContact O-N 3.07Å; Q27-H29 PolarHBondContact O-N 3.08Å |
| 28 | V | 49.3 | Very low | 48.5 | Very low | 105 Ų | 105 | 148 Ų | 148 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | | | trans | -51.4 | 92.1 | 160.4 | 178.7 | 0 | 0 | 0 | 0 | 106.2 | K26 W30 | K26-V28 PolarHBondContact O-N 2.72Å; V28-W30 HydrophobicContact CG1-CD2 3.92Å; V28-W30 HydrophobicContact CG1-CG 4.12Å; V28-W30 HydrophobicContact CG1-CZ2 4.18Å; V28-W30 PolarHBondContact O-N 2.69Å |
| 29 | H | 46.7 | Very low | 48.8 | Very low | 165 Ų | 165 | 146 Ų | 146 | 76% | 0.764 | 73% | 0.727 | S | S | * | * | | | trans | -70.3 | 86.9 | 166.6 | -130.1 | -62.5 | 0 | 0 | 0 | 103.7 | Q27 P31 | Q27-H29 PolarHBondContact O-N 3.08Å; H29-P31 WeakPolarHBondContact O-CD 3.14Å; H29-P31 VanDerWaalsContact O-N 3.09Å |
| 30 | W | 48.2 | Very low | 49.1 | Very low | 199 Ų | 199 | 150.6 Ų | 150.6 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | | | trans | -49.6 | 122.2 | 169 | -66.6 | 94.2 | 0 | 0 | 0 | 106 | V28 T32 | V28-W30 HydrophobicContact CG1-CD2 3.92Å; V28-W30 HydrophobicContact CG1-CG 4.12Å; V28-W30 HydrophobicContact CG1-CZ2 4.18Å; V28-W30 PolarHBondContact O-N 2.69Å; W30-T32 VanDerWaalsContact C-N 3.3Å; W30-T32 PolarHBondContact O-N 3.33Å |
| 31 | P | 57.8 | Low | 49.7 | Very low | 110 Ų | 110 | 149.4 Ų | 149.4 | 71% | 0.714 | 74% | 0.741 | S | S | * | * | | | trans | -59.9 | 105.7 | 171.6 | 23.6 | -30.2 | 0 | 0 | 0 | 105.4 | H29 F33 | H29-P31 WeakPolarHBondContact O-CD 3.14Å; H29-P31 VanDerWaalsContact O-N 3.09Å; P31-F33 PolarHBondContact O-N 3.15Å |
| 32 | T | 55.9 | Low | 50 | Low | 117 Ų | 117 | 142.8 Ų | 142.8 | 72% | 0.718 | 73% | 0.734 | S | S | * | * | | | trans | -50.7 | 119.4 | 171.8 | -42.3 | 0 | 0 | 0 | 0 | 104.8 | W30 V34 | W30-T32 VanDerWaalsContact C-N 3.3Å; W30-T32 PolarHBondContact O-N 3.33Å; T32-V34 PolarHBondContact O-N 3.01Å |
| 33 | F | 52.4 | Low | 50.4 | Low | 191 Ų | 191 | 137.8 Ų | 137.8 | 84% | 0.838 | 72% | 0.723 | S | S | * | * | | | trans | -55.1 | 96.1 | 175.5 | -69.9 | -88.5 | 0 | 0 | 0 | 106.6 | P31 N35 | P31-F33 PolarHBondContact O-N 3.15Å; F33-N35 PolarHBondContact O-N 3.45Å |
| 34 | V | 54.3 | Low | 50.5 | Low | 101 Ų | 101 | 134.8 Ų | 134.8 | 61% | 0.612 | 71% | 0.714 | S | S | * | * | | | trans | -64.4 | 99.4 | 168.1 | 175.9 | 0 | 0 | 0 | 0 | 102.4 | T32 W36 | T32-V34 PolarHBondContact O-N 3.01Å; V34-W36 PolarHBondContact O-N 2.74Å |
| 35 | N | 49.9 | Very low | 50.4 | Low | 120 Ų | 120 | 140.1 Ų | 140.1 | 64% | 0.642 | 73% | 0.732 | S | S | * | * | | | trans | -58.7 | 94.4 | 171.4 | -88.3 | -16.4 | 0 | 0 | 0 | 106.2 | F33 Y37 | F33-N35 PolarHBondContact O-N 3.45Å; N35-Y37 HydrophobicContact CB-CD2 3.77Å; N35-Y37 HydrophobicContact CB-CE2 4.03Å; N35-Y37 PolarHBondContact O-N 2.96Å |
| 36 | W | 48.3 | Very low | 50.5 | Low | 233 Ų | 233 | 141.2 Ų | 141.2 | 88% | 0.883 | 73% | 0.73 | S | S | * | * | | | trans | -70.8 | 58.2 | 165.5 | -65.7 | 91.8 | 0 | 0 | 0 | 108.1 | V34 P38 | V34-W36 PolarHBondContact O-N 2.74Å; W36-P38 WeakPolarHBondContact O-CD 3.19Å |
| 37 | Y | 43.7 | Very low | 50 | Low | 180 Ų | 180 | 143.8 Ų | 143.8 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | | | trans | -63.3 | 124.7 | 155.3 | -78.5 | -73 | 0 | 0 | 0 | 105.3 | N35 T39 | N35-Y37 HydrophobicContact CB-CD2 3.77Å; N35-Y37 HydrophobicContact CB-CE2 4.03Å; N35-Y37 PolarHBondContact O-N 2.96Å; Y37-T39 PolarHBondContact O-N 3.14Å |
| 38 | P | 49.3 | Very low | 50.1 | Low | 95 Ų | 95 | 143.6 Ų | 143.6 | 62% | 0.617 | 74% | 0.739 | S | S | * | * | | | trans | -55.4 | 120.8 | 166.7 | 24.9 | -30.8 | 0 | 0 | 0 | 105.4 | W36 E40 | W36-P38 WeakPolarHBondContact O-CD 3.19Å; P38-E40 PolarHBondContact O-N 2.87Å |
| 39 | T | 52.8 | Low | 50 | Low | 121 Ų | 121 | 146.7 Ų | 146.7 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | | | trans | -62.2 | 85.6 | 174.8 | -42.1 | 0 | 0 | 0 | 0 | 107.4 | Y37 A41 | Y37-T39 PolarHBondContact O-N 3.14Å; T39-A41 HydrophobicContact CG2-CB 4.28Å; T39-A41 PolarHBondContact O-N 2.69Å |
| 40 | E | 49.4 | Very low | 49.9 | Very low | 178 Ų | 178 | 147.6 Ų | 147.6 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 2.7 | 172.3 | -70.2 | -169.4 | 164 | 0 | 0 | 111.5 | P38 | P38-E40 PolarHBondContact O-N 2.87Š|
| 41 | A | 52.8 | Low | 49.9 | Very low | 91 Ų | 91 | 142.1 Ų | 142.1 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 19 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | T39 | T39-A41 HydrophobicContact CG2-CB 4.28Å; T39-A41 PolarHBondContact O-N 2.69Å |
| 42 | A | 47.1 | Very low | 49.3 | Very low | 85 Ų | 85 | 142.1 Ų | 142.1 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | | | trans | -110.9 | 38.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | P44 | A42-P44 WeakPolarHBondContact O-CD 3.49Š|
| 43 | A | 51.5 | Low | 48.7 | Very low | 76 Ų | 76 | 148.1 Ų | 148.1 | 63% | 0.628 | 76% | 0.76 | S | S | * | * | | | trans | -60.6 | 115.6 | 158.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | Q45 | A43-Q45 PolarHBondContact O-N 3.07Š|
| 44 | P | 48 | Very low | 48.2 | Very low | 93 Ų | 93 | 146.5 Ų | 146.5 | 60% | 0.604 | 76% | 0.759 | S | S | * | * | | | trans | -57.2 | 115.9 | 174.2 | 22.3 | -31.3 | 0 | 0 | 0 | 107.5 | A42 F46 | A42-P44 WeakPolarHBondContact O-CD 3.49Å; P44-F46 HydrophobicContact CB-CD2 4.32Å; P44-F46 HydrophobicContact CB-CE2 4.01Å; P44-F46 HydrophobicContact CB-CZ 4.37Å; P44-F46 HydrophobicContact CG-CD2 4.14Å; P44-F46 HydrophobicContact CG-CE2 3.57Å; P44-F46 HydrophobicContact CG-CZ 4.17Å; P44-F46 WeakPolarHBondContact O-CD2 3.46Å; P44-F46 PolarHBondContact O-N 2.98Å |
| 45 | Q | 48.8 | Very low | 47.6 | Very low | 187 Ų | 187 | 146.2 Ų | 146.2 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | | | trans | -61.3 | 85.9 | 165.6 | -73.7 | 178.9 | -10.9 | 0 | 0 | 106.9 | A43 R47 | A43-Q45 PolarHBondContact O-N 3.07Å; Q45-R47 PolarHBondContact O-N 2.79Å |
| 46 | F | 52.9 | Low | 47.1 | Very low | 177 Ų | 177 | 151.9 Ų | 151.9 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | trans | -65.1 | 96.6 | 161.1 | -71.2 | -74.9 | 0 | 0 | 0 | 105.7 | P44 L48 | P44-F46 HydrophobicContact CB-CD2 4.32Å; P44-F46 HydrophobicContact CB-CE2 4.01Å; P44-F46 HydrophobicContact CB-CZ 4.37Å; P44-F46 HydrophobicContact CG-CD2 4.14Å; P44-F46 HydrophobicContact CG-CE2 3.57Å; P44-F46 HydrophobicContact CG-CZ 4.17Å; P44-F46 WeakPolarHBondContact O-CD2 3.46Å; P44-F46 PolarHBondContact O-N 2.98Å; F46-L48 PolarHBondContact O-N 3.15Å |
| 47 | R | 41 | Very low | 47 | Very low | 226 Ų | 226 | 149.8 Ų | 149.8 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | | | trans | -45.9 | 112 | 163.6 | -91.9 | -178.6 | 173.2 | 162.2 | -1.9 | 106.5 | Q45 Q49 | Q45-R47 PolarHBondContact O-N 2.79Å; R47-Q49 PolarHBondContact O-N 3.3Å |
| 48 | L | 52.3 | Low | 46.9 | Very low | 166 Ų | 166 | 146.6 Ų | 146.6 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | | | trans | -61.5 | 90.1 | 160.9 | -69.3 | 168.6 | 0 | 0 | 0 | 105.5 | F46 E50 | F46-L48 PolarHBondContact O-N 3.15Å; L48-E50 VanDerWaalsContact C-N 3.33Å; L48-E50 PolarHBondContact O-N 3.25Å |
| 49 | Q | 46.4 | Very low | 46.4 | Very low | 169 Ų | 169 | 153.2 Ų | 153.2 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | -61.2 | 106.5 | 163.8 | -87.7 | -178.3 | -7.2 | 0 | 0 | 105.5 | R47 A51 | R47-Q49 PolarHBondContact O-N 3.3Å; Q49-A51 PolarHBondContact O-N 3.49Å |
| 50 | E | 46.1 | Very low | 45.9 | Very low | 184 Ų | 184 | 152.2 Ų | 152.2 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -62.2 | 68.3 | 164.7 | -69.7 | 179.1 | 151.9 | 0 | 0 | 109.1 | L48 S52 | L48-E50 VanDerWaalsContact C-N 3.33Å; L48-E50 PolarHBondContact O-N 3.25Å; E50-S52 VanDerWaalsContact C-N 3.27Å; E50-S52 PolarHBondContact O-N 2.82Å |
| 51 | A | 46.8 | Very low | 45.6 | Very low | 84 Ų | 84 | 151.7 Ų | 151.7 | 69% | 0.694 | 80% | 0.795 | S | S | * | * | | | trans | -97.3 | 49.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q49 | Q49-A51 PolarHBondContact O-N 3.49Š|
| 52 | S | 46.5 | Very low | 44.9 | Very low | 111 Ų | 111 | 156 Ų | 156 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | | | trans | -120.3 | 38.7 | 165.1 | 62.2 | 0 | 0 | 0 | 0 | 111.3 | E50 | E50-S52 VanDerWaalsContact C-N 3.27Å; E50-S52 PolarHBondContact O-N 2.82Å |
| 53 | R | 41.6 | Very low | 44.9 | Very low | 242 Ų | 242 | 158.1 Ų | 158.1 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | | | trans | -122 | 52.5 | 158.6 | -86.3 | -172.5 | 173.2 | 178.2 | 0.3 | 110.9 | | |
| 54 | I | 42.9 | Very low | 44.5 | Very low | 158 Ų | 158 | 161.6 Ų | 161.6 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -120.9 | 80.2 | 155.6 | -54.2 | -179.5 | 0 | 0 | 0 | 107.8 | | |
| 55 | S | 41.4 | Very low | 44.4 | Very low | 94 Ų | 94 | 162.1 Ų | 162.1 | 66% | 0.657 | 82% | 0.815 | S | S | * | * | | | trans | 28.9 | 103.7 | 139.8 | -175.3 | 0 | 0 | 0 | 0 | 117.1 | K57 | S55-K57 PolarHBondContact O-N 3.34Š|
| 56 | Y | 40.5 | Very low | 43.9 | Very low | 239 Ų | 239 | 165.2 Ų | 165.2 | 94% | 0.937 | 82% | 0.819 | S | S | * | * | | | trans | -51.3 | 92.1 | 156.3 | -70.4 | -93.9 | 0 | 0 | 0 | 111.3 | | |
| 57 | K | 45 | Very low | 43.4 | Very low | 190 Ų | 190 | 165.2 Ų | 165.2 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | | | trans | -159.1 | 68.2 | 165.8 | -128.5 | 175.5 | -174.7 | 180 | 0 | 114.2 | S55 | S55-K57 PolarHBondContact O-N 3.34Š|
| 58 | S | 41.8 | Very low | 43.2 | Very low | 112 Ų | 112 | 163.2 Ų | 163.2 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -163.4 | 96.9 | 148.3 | 52.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 59 | R | 39.3 | Very low | 43 | Very low | 235 Ų | 235 | 161.2 Ų | 161.2 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | | | trans | 45.4 | 104.2 | 138 | -67.2 | 176.9 | -161.5 | 168.7 | 6.3 | 118.3 | L61 | R59-L61 PolarHBondContact O-N 2.62Å; R59-L61 VanDerWaalsContact O-N 3.09Å |
| 60 | A | 42.1 | Very low | 42.7 | Very low | 100 Ų | 100 | 159.3 Ų | 159.3 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | | | | 9 | 90 | 122.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 61 | L | 43.1 | Very low | 42.7 | Very low | 167 Ų | 167 | 157.7 Ų | 157.7 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | -92.4 | 97.4 | 151.5 | -82.9 | 164.4 | 0 | 0 | 0 | 107.6 | R59 T63 | R59-L61 PolarHBondContact O-N 2.62Å; R59-L61 VanDerWaalsContact O-N 3.09Å; L61-T63 PolarHBondContact O-N 2.85Å; L61-T63 VanDerWaalsContact O-N 3.15Å |
| 62 | K | 39 | Very low | 42.3 | Very low | 180 Ų | 180 | 159.9 Ų | 159.9 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | | | trans | -43.9 | 112 | 155.9 | -80.7 | 167.9 | 166.6 | 173.6 | 0 | 109 | | |
| 63 | T | 46.2 | Very low | 42.2 | Very low | 130 Ų | 130 | 160.6 Ų | 160.6 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | | | trans | -117.3 | 92.9 | 146.5 | 53.5 | 0 | 0 | 0 | 0 | 107.5 | L61 S65 | L61-T63 PolarHBondContact O-N 2.85Å; L61-T63 VanDerWaalsContact O-N 3.15Å; T63-S65 PolarHBondContact O-N 2.76Å; T63-S65 VanDerWaalsContact O-N 3.14Å |
| 64 | N | 43.5 | Very low | 42.1 | Very low | 150 Ų | 150 | 156.1 Ų | 156.1 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | | | trans | -56.8 | 106.3 | 160.2 | -69.9 | -42.3 | 0 | 0 | 0 | 108.2 | | |
| 65 | S | 45.1 | Very low | 42 | Very low | 103 Ų | 103 | 159.5 Ų | 159.5 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | | | trans | -135.7 | 102.8 | 156.2 | 66.3 | 0 | 0 | 0 | 0 | 108.7 | T63 Q67 | T63-S65 PolarHBondContact O-N 2.76Å; T63-S65 VanDerWaalsContact O-N 3.14Å; S65-Q67 PolarHBondContact O-N 3.25Å; S65-Q67 VanDerWaalsContact O-N 3.15Å |
| 66 | R | 38.4 | Very low | 42.1 | Very low | 253 Ų | 253 | 166.4 Ų | 166.4 | 96% | 0.955 | 81% | 0.814 | S | S | * | * | | | trans | -37.3 | 113.1 | 167.4 | -70 | 167.6 | 169.4 | 177.7 | -3.9 | 110.7 | | |
| 67 | Q | 42.2 | Very low | 42 | Very low | 177 Ų | 177 | 160.8 Ų | 160.8 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | | | trans | -133.1 | 91.2 | 152.1 | -118.7 | 177.4 | 3.4 | 0 | 0 | 109 | S65 I69 | S65-Q67 PolarHBondContact O-N 3.25Å; S65-Q67 VanDerWaalsContact O-N 3.15Å; Q67-I69 PolarHBondContact O-N 2.69Å |
| 68 | K | 37.3 | Very low | 41.9 | Very low | 184 Ų | 184 | 154.4 Ų | 154.4 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | | | trans | -68.5 | 105.3 | 170.3 | -153.9 | -177 | -167.3 | -175.8 | 0 | 106.4 | | |
| 69 | I | 48.8 | Very low | 41.6 | Very low | 123 Ų | 123 | 157.6 Ų | 157.6 | 63% | 0.631 | 80% | 0.8 | S | S | * | * | | | trans | -119.8 | 89.2 | 164.6 | -54 | 178.4 | 0 | 0 | 0 | 106.3 | Q67 L71 | Q67-I69 PolarHBondContact O-N 2.69Å; I69-L71 HydrophobicContact CG2-CD1 3.61Å; I69-L71 HydrophobicContact CG2-CG 3.86Å; I69-L71 PolarHBondContact O-N 2.8Å |
| 70 | N | 39 | Very low | 41.9 | Very low | 130 Ų | 130 | 156.3 Ų | 156.3 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | | | trans | -68.7 | 107.5 | 166.7 | -71.4 | -18.2 | 0 | 0 | 0 | 107.5 | | |
| 71 | L | 46 | Very low | 42 | Very low | 149 Ų | 149 | 160.3 Ų | 160.3 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | | | trans | -123.2 | 86.5 | 166.2 | -78.1 | 161.4 | 0 | 0 | 0 | 107.7 | I69 P73 | I69-L71 HydrophobicContact CG2-CD1 3.61Å; I69-L71 HydrophobicContact CG2-CG 3.86Å; I69-L71 PolarHBondContact O-N 2.8Å; L71-P73 WeakPolarHBondContact O-CD 3.35Å |
| 72 | T | 39.1 | Very low | 42.4 | Very low | 131 Ų | 131 | 158.8 Ų | 158.8 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -84.7 | 108.6 | 161.4 | 27.9 | 0 | 0 | 0 | 0 | 109.5 | N74 | T72-N74 PolarHBondContact O-N 2.95Š|
| 73 | P | 45.2 | Very low | 42.6 | Very low | 125 Ų | 125 | 156.7 Ų | 156.7 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | | | trans | -89.3 | 89.7 | 149 | 31.8 | -26.8 | 0 | 0 | 0 | 107.9 | L71 | L71-P73 WeakPolarHBondContact O-CD 3.35Š|
| 74 | N | 38.9 | Very low | 42.4 | Very low | 149 Ų | 149 | 153.1 Ų | 153.1 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | trans | -67.1 | 122.6 | 157.3 | -168.1 | -0.4 | 0 | 0 | 0 | 107.2 | T72 | T72-N74 PolarHBondContact O-N 2.95Š|
| 75 | R | 40.9 | Very low | 42.4 | Very low | 228 Ų | 228 | 153.6 Ų | 153.6 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | 141.7 | 92.8 | 158.6 | -81.8 | 173 | 178.4 | -173.5 | 0.8 | 111.9 | | |
| 76 | R | 43 | Very low | 42.4 | Very low | 240 Ų | 240 | 153.9 Ų | 153.9 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | | | | 153.5 | 103.8 | 118.5 | -87.8 | 179.4 | 173 | 178.5 | -2.1 | 108.6 | G78 | R76-G78 PolarHBondContact O-N 2.8Å; R76-G78 VanDerWaalsContact O-N 3.07Å |
| 77 | S | 39.1 | Very low | 42.7 | Very low | 121 Ų | 121 | 150.4 Ų | 150.4 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | trans | -48.4 | 106 | 159.1 | 54.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 78 | G | 41.2 | Very low | 43 | Very low | 55 Ų | 55 | 147.3 Ų | 147.3 | 57% | 0.567 | 77% | 0.772 | S | S | * | * | | | trans | -119.1 | 63.3 | 155.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | R76 Y80 | R76-G78 PolarHBondContact O-N 2.8Å; R76-G78 VanDerWaalsContact O-N 3.07Å; G78-Y80 VanDerWaalsContact C-N 3.3Å; G78-Y80 PolarHBondContact O-N 3.5Å |
| 79 | H | 36.1 | Very low | 43.5 | Very low | 180 Ų | 180 | 145.4 Ų | 145.4 | 83% | 0.833 | 77% | 0.769 | S | S | * | * | | | trans | -73.7 | 87.8 | 174.5 | -115.3 | 50.5 | 0 | 0 | 0 | 107.9 | K81 | H79-K81 PolarHBondContact O-N 2.98Š|
| 80 | Y | 45.1 | Very low | 43.3 | Very low | 207 Ų | 207 | 145.4 Ų | 145.4 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | trans | -78.1 | 105.8 | 160.9 | -65.6 | -81.9 | 0 | 0 | 0 | 106.9 | G78 T82 | G78-Y80 VanDerWaalsContact C-N 3.3Å; G78-Y80 PolarHBondContact O-N 3.5Å; Y80-T82 PolarHBondContact O-N 2.68Å; Y80-T82 VanDerWaalsContact O-N 3.08Å |
| 81 | K | 44.7 | Very low | 43.7 | Very low | 184 Ų | 184 | 146.4 Ų | 146.4 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | | | trans | -63.9 | 102.3 | 163.4 | -83.4 | -179.9 | 174.2 | 179 | 0 | 107.1 | H79 V83 | H79-K81 PolarHBondContact O-N 2.98Å; K81-V83 VanDerWaalsContact C-N 3.25Å; K81-V83 PolarHBondContact O-N 3.42Å |
| 82 | T | 52.7 | Low | 43.7 | Very low | 136 Ų | 136 | 150.5 Ų | 150.5 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | | | trans | -75.8 | 88.9 | 164.5 | -37.7 | 0 | 0 | 0 | 0 | 107 | Y80 | Y80-T82 PolarHBondContact O-N 2.68Å; Y80-T82 VanDerWaalsContact O-N 3.08Å |
| 83 | V | 42.3 | Very low | 44 | Very low | 136 Ų | 136 | 148.8 Ų | 148.8 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | trans | -69.2 | 127.3 | 164 | -106.3 | 0 | 0 | 0 | 0 | 107.6 | K81 | K81-V83 VanDerWaalsContact C-N 3.25Å; K81-V83 PolarHBondContact O-N 3.42Å |
| 84 | G | 42.4 | Very low | 44.3 | Very low | 54 Ų | 54 | 149.8 Ų | 149.8 | 56% | 0.557 | 78% | 0.777 | S | S | * | * | | | trans | 115.6 | 90.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | V86 | G84-V86 PolarHBondContact O-N 3.19Š|
| 85 | N | 43.9 | Very low | 44.7 | Very low | 160 Ų | 160 | 148.1 Ų | 148.1 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | | | trans | -61.9 | 85 | 150.7 | -76.7 | 6.7 | 0 | 0 | 0 | 107.3 | E87 | N85-E87 PolarHBondContact O-N 2.81Š|
| 86 | V | 45.2 | Very low | 45.1 | Very low | 110 Ų | 110 | 143.5 Ų | 143.5 | 67% | 0.667 | 77% | 0.765 | S | S | * | * | | | trans | -87.6 | 99.6 | 159.8 | 179.9 | 0 | 0 | 0 | 0 | 104.8 | G84 T88 | G84-V86 PolarHBondContact O-N 3.19Å; V86-T88 HydrophobicContact CG1-CG2 3.55Å; V86-T88 PolarHBondContact O-N 3.01Å |
| 87 | E | 43.9 | Very low | 45.3 | Very low | 180 Ų | 180 | 140 Ų | 140 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | | | trans | -67.2 | 67 | 168.2 | -66.1 | -178.3 | 171.5 | 0 | 0 | 109.1 | N85 | N85-E87 PolarHBondContact O-N 2.81Š|
| 88 | T | 49.2 | Very low | 45.3 | Very low | 112 Ų | 112 | 141 Ų | 141 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | | | trans | -93.9 | 100.1 | 164.9 | 41.4 | 0 | 0 | 0 | 0 | 107.2 | V86 | V86-T88 HydrophobicContact CG1-CG2 3.55Å; V86-T88 PolarHBondContact O-N 3.01Å |
| 89 | L | 46.7 | Very low | 45.5 | Very low | 143 Ų | 143 | 150.3 Ų | 150.3 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | | | trans | 1 | 134.8 | 157.4 | -58.8 | 167.5 | 0 | 0 | 0 | 114.7 | I91 | L89-I91 PolarHBondContact O-N 3.41Š|
| 90 | P | 45.2 | Very low | 46.1 | Very low | 124 Ų | 124 | 149.9 Ų | 149.9 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | | | trans | -66.4 | 85.3 | 162.1 | 30 | -32.1 | 0 | 0 | 0 | 108.9 | R92 | P90-R92 PolarHBondContact O-N 3.48Å; P90-R92 VanDerWaalsContact O-N 3.07Å |
| 91 | I | 47.2 | Very low | 46.1 | Very low | 150 Ų | 150 | 150.9 Ų | 150.9 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | -44.8 | 114.2 | 141.2 | -64.9 | 167.8 | 0 | 0 | 0 | 103.7 | L89 S93 | L89-I91 PolarHBondContact O-N 3.41Å; I91-S93 VanDerWaalsContact C-N 3.33Å; I91-S93 WeakPolarHBondContact O-CA 3.42Å; I91-S93 PolarHBondContact O-N 3.4Å |
| 92 | R | 46.1 | Very low | 46.1 | Very low | 236 Ų | 236 | 148.7 Ų | 148.7 | 89% | 0.891 | 77% | 0.768 | S | S | * | * | | | trans | -32.2 | 99 | 178.7 | -72.4 | 176.1 | 173.6 | -176.8 | -2.1 | 108.7 | P90 I94 | P90-R92 PolarHBondContact O-N 3.48Å; P90-R92 VanDerWaalsContact O-N 3.07Å; R92-I94 PolarHBondContact O-N 3.37Å |
| 93 | S | 45.4 | Very low | 46 | Very low | 94 Ų | 94 | 148.4 Ų | 148.4 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | | | trans | -65.7 | 108.9 | -176.5 | 42.6 | 0 | 0 | 0 | 0 | 104.7 | I91 P95 | I91-S93 VanDerWaalsContact C-N 3.33Å; I91-S93 WeakPolarHBondContact O-CA 3.42Å; I91-S93 PolarHBondContact O-N 3.4Å; S93-P95 VanDerWaalsContact O-N 3.09Å |
| 94 | I | 51.7 | Low | 46.6 | Very low | 146 Ų | 146 | 146.1 Ų | 146.1 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | | | trans | -39.1 | 122.5 | 161 | -63.9 | 161 | 0 | 0 | 0 | 104.4 | R92 I96 | R92-I94 PolarHBondContact O-N 3.37Å; I94-I96 VanDerWaalsContact C-N 3.32Å; I94-I96 PolarHBondContact O-N 3.39Å |
| 95 | P | 46.2 | Very low | 47 | Very low | 114 Ų | 114 | 154.8 Ų | 154.8 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | | | trans | -53.8 | 105.5 | -174.2 | 20.1 | -31.5 | 0 | 0 | 0 | 106.9 | S93 L97 | S93-P95 VanDerWaalsContact O-N 3.09Å; P95-L97 VanDerWaalsContact C-N 3.28Å; P95-L97 PolarHBondContact O-N 2.68Å |
| 96 | I | 49.4 | Very low | 47.1 | Very low | 132 Ų | 132 | 156.8 Ų | 156.8 | 68% | 0.677 | 78% | 0.78 | S | S | * | * | | | trans | -58.9 | 107.4 | 172.4 | -67.9 | 168.1 | 0 | 0 | 0 | 101.6 | I94 H98 | I94-I96 VanDerWaalsContact C-N 3.32Å; I94-I96 PolarHBondContact O-N 3.39Å; I96-H98 PolarHBondContact O-CD2 3.37Å; I96-H98 PolarHBondContact O-N 3.25Å |
| 97 | L | 46.9 | Very low | 47.3 | Very low | 165 Ų | 165 | 155 Ų | 155 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | trans | -52.3 | 89.2 | 173.3 | -93.9 | 148 | 0 | 0 | 0 | 105.8 | P95 R99 | P95-L97 VanDerWaalsContact C-N 3.28Å; P95-L97 PolarHBondContact O-N 2.68Å; L97-R99 VanDerWaalsContact C-N 3.25Å; L97-R99 PolarHBondContact O-N 2.8Å |
| 98 | H | 40 | Very low | 47.7 | Very low | 144 Ų | 144 | 151.6 Ų | 151.6 | 67% | 0.667 | 77% | 0.768 | S | S | * | * | | | trans | -60.6 | 102.1 | 170.7 | -90 | -86.1 | 0 | 0 | 0 | 103.5 | I96 K100 | I96-H98 PolarHBondContact O-CD2 3.37Å; I96-H98 PolarHBondContact O-N 3.25Å; H98-K100 HydrophobicContact CB-CG 4.18Å; H98-K100 PolarHBondContact O-N 3.41Å |
| 99 | R | 45.8 | Very low | 47.8 | Very low | 250 Ų | 250 | 156.9 Ų | 156.9 | 94% | 0.943 | 78% | 0.776 | S | S | * | * | | | trans | -60.3 | 70.2 | 159.6 | -83.1 | -177.4 | 169 | 178.6 | -2.4 | 107.3 | L97 R101 | L97-R99 VanDerWaalsContact C-N 3.25Å; L97-R99 PolarHBondContact O-N 2.8Å; R99-R101 PolarHBondContact O-N 3.38Å |
| 100 | K | 47.6 | Very low | 48 | Very low | 170 Ų | 170 | 159.3 Ų | 159.3 | 74% | 0.739 | 78% | 0.776 | S | S | * | * | | | trans | -84.9 | 94.2 | 168.5 | -84.6 | -174.6 | -175.9 | -173.8 | 0 | 106.5 | H98 | H98-K100 HydrophobicContact CB-CG 4.18Å; H98-K100 PolarHBondContact O-N 3.41Å |
| 101 | R | 44.6 | Very low | 48.3 | Very low | 228 Ų | 228 | 158.3 Ų | 158.3 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | | | trans | 38 | 105.7 | 136.6 | -65.9 | -179.2 | 177.8 | 172 | -1.2 | 115.6 | R99 | R99-R101 PolarHBondContact O-N 3.38Š|
| 102 | D | 46 | Very low | 48.5 | Very low | 139 Ų | 139 | 161 Ų | 161 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | | | trans | 40.2 | 100.4 | 145.4 | -54.2 | -29.4 | 0 | 0 | 0 | 117.2 | A104 | D102-A104 PolarHBondContact O-N 3.34Š|
| 103 | P | 51.2 | Low | 48.7 | Very low | 130 Ų | 130 | 151.8 Ų | 151.8 | 84% | 0.844 | 75% | 0.747 | S | S | * | * | | | trans | -73.7 | 64 | 168.5 | 32.8 | -34.7 | 0 | 0 | 0 | 110.6 | | |
| 104 | A | 54.4 | Low | 49 | Very low | 87 Ų | 87 | 152.8 Ų | 152.8 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | | | trans | -89.2 | -4.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | D102 | D102-A104 PolarHBondContact O-N 3.34Š|
| 105 | R | 49.6 | Very low | 48.9 | Very low | 237 Ų | 237 | 156 Ų | 156 | 89% | 0.894 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -144 | 111.4 | -175.5 | -94.6 | 179.4 | 172 | -167.7 | -2.8 | 112 | | |
| 106 | K | 47.5 | Very low | 49.2 | Very low | 202 Ų | 202 | 155 Ų | 155 | 88% | 0.878 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 117.5 | 10.5 | 150.6 | -59 | -179.6 | -177.7 | -174.8 | 0 | 119.3 | | |
| 107 | S | 48.4 | Very low | 49.3 | Very low | 73 Ų | 73 | 151.4 Ų | 151.4 | 51% | 0.51 | 73% | 0.725 | S | S | . | * | | | trans | -104.5 | 4.8 | 172.6 | 58 | 0 | 0 | 0 | 0 | 115.8 | R109 Y110 | S107-R109 VanDerWaalsContact C-N 3.26Å; S107-R109 PolarHBondContact O-N 2.83Å; S107-Y110 PolarHBondContact O-N 3.02Å |
| 108 | S | 52.1 | Low | 49.4 | Very low | 107 Ų | 107 | 150.2 Ų | 150.2 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -69.9 | -16.5 | -174.7 | 92.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 109 | R | 52.3 | Low | 49.9 | Very low | 223 Ų | 223 | 146.3 Ų | 146.3 | 84% | 0.842 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -86.1 | -30.8 | -178.5 | -147.2 | -179 | -77.2 | 175.7 | -5 | 113.2 | S107 | S107-R109 VanDerWaalsContact C-N 3.26Å; S107-R109 PolarHBondContact O-N 2.83Å |
| 110 | Y | 49.9 | Very low | 50 | Low | 195 Ų | 195 | 143 Ų | 143 | 77% | 0.765 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -84 | -33.7 | -176.8 | -72.5 | -79 | 0 | 0 | 0 | 113.5 | S107 R112 G113 | S107-Y110 PolarHBondContact O-N 3.02Å; Y110-R112 VanDerWaalsContact C-N 3.31Å; Y110-R112 PolarHBondContact O-N 2.76Å; Y110-G113 PolarHBondContact O-N 3.46Å |
| 111 | V | 52.6 | Low | 50.2 | Low | 103 Ų | 103 | 141.8 Ų | 141.8 | 62% | 0.624 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -71.5 | -27.3 | -179.3 | -175.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 112 | R | 50.1 | Low | 50.5 | Low | 205 Ų | 205 | 139.3 Ų | 139.3 | 77% | 0.774 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -70.8 | -32.3 | 177.9 | -121.6 | 178.7 | -178.3 | 174.8 | 0.2 | 113 | Y110 | Y110-R112 VanDerWaalsContact C-N 3.31Å; Y110-R112 PolarHBondContact O-N 2.76Å |
| 113 | G | 50.7 | Low | 50.7 | Low | 44 Ų | 44 | 141 Ų | 141 | 45% | 0.454 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -69.8 | -43.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y110 R115 I116 A117 | Y110-G113 PolarHBondContact O-N 3.46Å; G113-R115 VanDerWaalsContact C-N 3.32Å; G113-R115 PolarHBondContact O-N 3.34Å; G113-I116 PolarHBondContact O-N 3.29Å; G113-A117 PolarHBondContact O-N 3.22Å |
| 114 | L | 52.2 | Low | 50.7 | Low | 115 Ų | 115 | 143.2 Ų | 143.2 | 60% | 0.602 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -65.2 | -33.6 | -178.7 | -75.6 | 167.9 | 0 | 0 | 0 | 112.8 | I116 A117 F118 | L114-I116 VanDerWaalsContact C-N 3.29Å; L114-I116 PolarHBondContact O-N 2.71Å; L114-A117 PolarHBondContact O-N 2.93Å; L114-F118 WeakPolarHBondContact O-CD2 3.39Å; L114-F118 PolarHBondContact O-N 2.67Å |
| 115 | R | 49.8 | Very low | 50.6 | Low | 213 Ų | 213 | 145 Ų | 145 | 80% | 0.804 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -67.4 | -30.7 | 178.9 | -147 | 179.8 | -163.1 | -172.9 | 4.6 | 112.8 | G113 S119 | G113-R115 VanDerWaalsContact C-N 3.32Å; G113-R115 PolarHBondContact O-N 3.34Å; R115-S119 PolarHBondContact O-N 2.85Å |
| 116 | I | 52.6 | Low | 50.8 | Low | 92 Ų | 92 | 136 Ų | 136 | 47% | 0.472 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -75.7 | -34 | 179.4 | -60.9 | 167.9 | 0 | 0 | 0 | 110.9 | G113 L114 S119 R120 | G113-I116 PolarHBondContact O-N 3.29Å; L114-I116 VanDerWaalsContact C-N 3.29Å; L114-I116 PolarHBondContact O-N 2.71Å; I116-S119 PolarHBondContact O-OG 2.79Å; I116-R120 WeakPolarHBondContact O-CG 2.94Å; I116-R120 PolarHBondContact O-N 3.39Å |
| 117 | A | 52.2 | Low | 51.2 | Low | 58 Ų | 58 | 138.6 Ų | 138.6 | 48% | 0.479 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -65.3 | -47.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G113 L114 S119 R120 | G113-A117 PolarHBondContact O-N 3.22Å; L114-A117 PolarHBondContact O-N 2.93Å; A117-S119 PolarHBondContact O-N 2.64Å; A117-R120 PolarHBondContact O-N 3.21Å |
| 118 | F | 48.7 | Very low | 52.1 | Low | 140 Ų | 140 | 143.5 Ų | 143.5 | 61% | 0.614 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -72.7 | -27 | -179.4 | -74.5 | -72.2 | 0 | 0 | 0 | 114 | L114 | L114-F118 WeakPolarHBondContact O-CD2 3.39Å; L114-F118 PolarHBondContact O-N 2.67Å |
| 119 | S | 49.5 | Very low | 52.6 | Low | 62 Ų | 62 | 144.1 Ų | 144.1 | 43% | 0.434 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -73.3 | -30.1 | 176.1 | 76.8 | 0 | 0 | 0 | 0 | 112.3 | R115 I116 A117 F123 | R115-S119 PolarHBondContact O-N 2.85Å; I116-S119 PolarHBondContact O-OG 2.79Å; A117-S119 PolarHBondContact O-N 2.64Å; S119-F123 WeakPolarHBondContact O-CD2 3.19Å |
| 120 | R | 49.2 | Very low | 53.4 | Low | 181 Ų | 181 | 138.3 Ų | 138.3 | 68% | 0.683 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -76.2 | -27.3 | -178.9 | -73.4 | -176.4 | 174.7 | -147.9 | -2.1 | 113.7 | I116 A117 K122 | I116-R120 WeakPolarHBondContact O-CG 2.94Å; I116-R120 PolarHBondContact O-N 3.39Å; A117-R120 PolarHBondContact O-N 3.21Å; R120-K122 VanDerWaalsContact C-N 3.34Å; R120-K122 PolarHBondContact O-N 2.9Å |
| 121 | Q | 51.2 | Low | 54.4 | Low | 143 Ų | 143 | 136.8 Ų | 136.8 | 67% | 0.668 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -73 | -26.1 | -177.1 | -156 | 171.1 | 7.2 | 0 | 0 | 113.1 | | |
| 122 | K | 50.6 | Low | 55.2 | Low | 176 Ų | 176 | 142 Ų | 142 | 77% | 0.765 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -21 | 178.7 | -73.5 | -171.7 | 175.4 | -173.4 | 0 | 114.6 | R120 | R120-K122 VanDerWaalsContact C-N 3.34Å; R120-K122 PolarHBondContact O-N 2.9Å |
| 123 | F | 50.6 | Low | 56.2 | Low | 176 Ų | 176 | 137.2 Ų | 137.2 | 77% | 0.772 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | -4.9 | -177.1 | -68.3 | -74 | 0 | 0 | 0 | 114.3 | S119 | S119-F123 WeakPolarHBondContact O-CD2 3.19Š|
| 124 | Q | 50.3 | Low | 57 | Low | 176 Ų | 176 | 137.8 Ų | 137.8 | 82% | 0.822 | 66% | 0.66 | S | S | * | * | | | trans | -95.1 | 1.9 | 176.3 | -80.8 | -174.6 | 3.6 | 0 | 0 | 114.3 | G126 | Q124-G126 PolarHBondContact O-N 2.85Š|
| 125 | V | 52.3 | Low | 57.6 | Low | 124 Ų | 124 | 136.6 Ų | 136.6 | 75% | 0.752 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -73 | 66.1 | 153.3 | -168 | 0 | 0 | 0 | 0 | 106.4 | W127 | V125-W127 PolarHBondContact O-N 3.23Š|
| 126 | G | 54.7 | Low | 58.6 | Low | 47 Ų | 47 | 133.5 Ų | 133.5 | 49% | 0.485 | 65% | 0.646 | S | S | . | * | | | trans | -55.8 | 135.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | Q124 Q128 | Q124-G126 PolarHBondContact O-N 2.85Å; G126-Q128 PolarHBondContact O-N 3.34Å |
| 127 | W | 55.8 | Low | 59.3 | Low | 258 Ų | 258 | 135.3 Ų | 135.3 | 98% | 0.977 | 65% | 0.653 | S | S | * | * | | | trans | -54.5 | 87.4 | 165.3 | -72 | 90.3 | 0 | 0 | 0 | 107.9 | V125 P129 | V125-W127 PolarHBondContact O-N 3.23Å; W127-P129 VanDerWaalsContact O-CD 3.24Å; W127-P129 WeakPolarHBondContact O-CD 3.24Å |
| 128 | Q | 66 | Low | 60.1 | Low | 175 Ų | 175 | 137.2 Ų | 137.2 | 82% | 0.818 | 65% | 0.654 | S | S | * | * | | | trans | -68.1 | 115.6 | 166.5 | -92.8 | -179.3 | -32.5 | 0 | 0 | 104.6 | G126 L130 | G126-Q128 PolarHBondContact O-N 3.34Å; Q128-L130 PolarHBondContact O-N 3.07Å; Q128-L130 VanDerWaalsContact O-N 3.07Å |
| 129 | P | 64.2 | Low | 61.2 | Low | 120 Ų | 120 | 134.4 Ų | 134.4 | 78% | 0.779 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 124 | 173.3 | 23.5 | -31.4 | 0 | 0 | 0 | 107.2 | W127 K131 | W127-P129 VanDerWaalsContact O-CD 3.24Å; W127-P129 WeakPolarHBondContact O-CD 3.24Å; P129-K131 PolarHBondContact O-N 3.06Å |
| 130 | L | 67.3 | Low | 62.2 | Low | 101 Ų | 101 | 137.4 Ų | 137.4 | 53% | 0.529 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -51.7 | 129.7 | 175.4 | -70.3 | 168.5 | 0 | 0 | 0 | 107.6 | Q128 R132 V134 L135 | Q128-L130 PolarHBondContact O-N 3.07Å; Q128-L130 VanDerWaalsContact O-N 3.07Å; L130-R132 PolarHBondContact O-N 3.46Å; L130-V134 HydrophobicContact CD2-CG1 4.24Å; L130-L135 HydrophobicContact CB-CD2 4.47Å; L130-L135 HydrophobicContact CB-CG 4.26Å; L130-L135 HydrophobicContact CD1-CD2 4.12Å |
| 131 | K | 72.4 | Confident | 63.2 | Low | 163 Ų | 163 | 134 Ų | 134 | 71% | 0.709 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 137.1 | 174.4 | -67.9 | -177.5 | 179.1 | -179.7 | 0 | 107.7 | P129 D133 V134 | P129-K131 PolarHBondContact O-N 3.06Å; K131-D133 PolarHBondContact O-N 3.25Å; K131-V134 PolarHBondContact O-N 3.34Å |
| 132 | R | 68.9 | Low | 64.3 | Low | 214 Ų | 214 | 132 Ų | 132 | 81% | 0.808 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -48.8 | -29.6 | -175.6 | -70.9 | -179.4 | 175.8 | 174.9 | -2.1 | 112.9 | L130 L135 K136 | L130-R132 PolarHBondContact O-N 3.46Å; R132-L135 PolarHBondContact O-N 3.12Å; R132-K136 PolarHBondContact O-N 3.22Å |
| 133 | D | 70.7 | Confident | 65.5 | Low | 104 Ų | 104 | 129.2 Ų | 129.2 | 56% | 0.556 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.7 | -34.2 | 178.8 | -53.6 | -34.1 | 0 | 0 | 0 | 113.5 | K131 K136 Q137 | K131-D133 PolarHBondContact O-N 3.25Å; D133-K136 PolarHBondContact O-N 3.45Å; D133-Q137 WeakPolarHBondContact O-CG 3.48Å; D133-Q137 PolarHBondContact O-N 3.47Å; D133-Q137 VanDerWaalsContact O-N 3.12Å |
| 134 | V | 67.1 | Low | 66.7 | Low | 55 Ų | 55 | 124.7 Ų | 124.7 | 33% | 0.333 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -69.5 | -38.2 | 176.6 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | L130 K131 K136 Q137 L138 | L130-V134 HydrophobicContact CD2-CG1 4.24Å; K131-V134 PolarHBondContact O-N 3.34Å; V134-K136 VanDerWaalsContact C-N 3.32Å; V134-K136 PolarHBondContact O-N 2.7Å; V134-Q137 PolarHBondContact O-N 3.08Å; V134-L138 HydrophobicContact CG1-CD1 4.48Å; V134-L138 PolarHBondContact O-N 3.36Å |
| 135 | L | 64.7 | Low | 67.8 | Low | 91 Ų | 91 | 120.5 Ų | 120.5 | 48% | 0.476 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63 | -40 | 174.7 | -69.6 | 172.5 | 0 | 0 | 0 | 111.2 | L130 R132 Q137 L138 T139 | L130-L135 HydrophobicContact CB-CD2 4.47Å; L130-L135 HydrophobicContact CB-CG 4.26Å; L130-L135 HydrophobicContact CD1-CD2 4.12Å; R132-L135 PolarHBondContact O-N 3.12Å; L135-Q137 PolarHBondContact O-N 3.31Å; L135-L138 PolarHBondContact O-N 3.34Å; L135-T139 PolarHBondContact O-N 3.08Å; L135-T139 VanDerWaalsContact O-N 3.08Å; L135-T139 PolarHBondContact O-OG1 3.46Å |
| 136 | K | 70.7 | Confident | 68.9 | Low | 148 Ų | 148 | 118.8 Ų | 118.8 | 64% | 0.643 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61 | -43 | 174.3 | -71 | -179.7 | 179 | 180 | 0 | 112.1 | R132 D133 V134 L138 T139 F140 | R132-K136 PolarHBondContact O-N 3.22Å; D133-K136 PolarHBondContact O-N 3.45Å; V134-K136 VanDerWaalsContact C-N 3.32Å; V134-K136 PolarHBondContact O-N 2.7Å; K136-L138 PolarHBondContact O-N 3.13Å; K136-T139 PolarHBondContact O-N 3.49Å; K136-F140 PolarHBondContact O-N 3.33Å; K136-F140 VanDerWaalsContact O-N 3.08Å |
| 137 | Q | 68.9 | Low | 69.9 | Low | 130 Ų | 130 | 123.2 Ų | 123.2 | 61% | 0.607 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.5 | -41.8 | 177.7 | -71.9 | 176.6 | -10.1 | 0 | 0 | 112.6 | D133 V134 L135 T139 F140 L141 | D133-Q137 WeakPolarHBondContact O-CG 3.48Å; D133-Q137 PolarHBondContact O-N 3.47Å; D133-Q137 VanDerWaalsContact O-N 3.12Å; V134-Q137 PolarHBondContact O-N 3.08Å; L135-Q137 PolarHBondContact O-N 3.31Å; Q137-T139 VanDerWaalsContact C-N 3.34Å; Q137-T139 PolarHBondContact O-N 3.5Å; Q137-F140 PolarHBondContact O-N 3.47Å; Q137-L141 PolarHBondContact O-N 3.14Å; Q137-L141 VanDerWaalsContact O-N 3.13Å |
| 138 | L | 68.3 | Low | 70.8 | Confident | 97 Ų | 97 | 118.6 Ų | 118.6 | 51% | 0.508 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.9 | -39 | 177 | -71.3 | 171.7 | 0 | 0 | 0 | 112 | V134 L135 K136 F140 L141 D142 | V134-L138 HydrophobicContact CG1-CD1 4.48Å; V134-L138 PolarHBondContact O-N 3.36Å; L135-L138 PolarHBondContact O-N 3.34Å; K136-L138 PolarHBondContact O-N 3.13Å; L138-F140 VanDerWaalsContact C-N 3.31Å; L138-F140 PolarHBondContact O-N 3.21Å; L138-L141 PolarHBondContact O-N 3.38Å; L138-D142 PolarHBondContact O-N 3.41Å; L138-D142 VanDerWaalsContact O-N 3.14Å |
| 139 | T | 71.9 | Confident | 70.9 | Confident | 82 Ų | 82 | 115.9 Ų | 115.9 | 50% | 0.503 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.8 | -35.8 | 178.6 | -32.1 | 0 | 0 | 0 | 0 | 111.4 | L135 K136 Q137 D142 Q143 | L135-T139 PolarHBondContact O-N 3.08Å; L135-T139 VanDerWaalsContact O-N 3.08Å; L135-T139 PolarHBondContact O-OG1 3.46Å; K136-T139 PolarHBondContact O-N 3.49Å; Q137-T139 VanDerWaalsContact C-N 3.34Å; Q137-T139 PolarHBondContact O-N 3.5Å; T139-D142 PolarHBondContact O-N 3.08Å; T139-Q143 WeakPolarHBondContact O-CG 3.38Å; T139-Q143 PolarHBondContact O-N 3.12Å; T139-Q143 VanDerWaalsContact O-N 3.14Å |
| 140 | F | 71.2 | Confident | 70.9 | Confident | 124 Ų | 124 | 121 Ų | 121 | 54% | 0.544 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.2 | -40.6 | 176.2 | -174.7 | -103.8 | 0 | 0 | 0 | 112.7 | K136 Q137 L138 D142 Q143 L144 | K136-F140 PolarHBondContact O-N 3.33Å; K136-F140 VanDerWaalsContact O-N 3.08Å; Q137-F140 PolarHBondContact O-N 3.47Å; L138-F140 VanDerWaalsContact C-N 3.31Å; L138-F140 PolarHBondContact O-N 3.21Å; F140-D142 VanDerWaalsContact C-N 3.32Å; F140-D142 PolarHBondContact O-N 3.08Å; F140-Q143 PolarHBondContact O-N 3.48Å; F140-L144 HydrophobicContact CD1-CD1 3.86Å; F140-L144 HydrophobicContact CD1-CG 4.49Å; F140-L144 HydrophobicContact CE1-CD1 3.44Å; F140-L144 VanDerWaalsContact CE1-CD1 3.44Å; F140-L144 HydrophobicContact CE1-CG 4.14Å; F140-L144 HydrophobicContact CZ-CD1 4.05Å; F140-L144 HydrophobicContact CZ-CG 4.34Å; F140-L144 PolarHBondContact O-N 3.34Å; F140-L144 VanDerWaalsContact O-N 3.08Å |
| 141 | L | 70.2 | Confident | 70.3 | Confident | 110 Ų | 110 | 122 Ų | 122 | 58% | 0.576 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.6 | -37.5 | 175.7 | -73 | 172.7 | 0 | 0 | 0 | 112.4 | Q137 L138 Q143 L144 N145 | Q137-L141 PolarHBondContact O-N 3.14Å; Q137-L141 VanDerWaalsContact O-N 3.13Å; L138-L141 PolarHBondContact O-N 3.38Å; L141-Q143 VanDerWaalsContact C-N 3.33Å; L141-L144 PolarHBondContact O-N 3.26Å; L141-N145 PolarHBondContact O-N 3.12Å; L141-N145 VanDerWaalsContact O-N 3.12Å |
| 142 | D | 74.1 | Confident | 70.2 | Confident | 102 Ų | 102 | 120 Ų | 120 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.9 | -34.2 | 178.1 | -151 | 28 | 0 | 0 | 0 | 111.7 | L138 T139 F140 N146 | L138-D142 PolarHBondContact O-N 3.41Å; L138-D142 VanDerWaalsContact O-N 3.14Å; T139-D142 PolarHBondContact O-N 3.08Å; F140-D142 VanDerWaalsContact C-N 3.32Å; F140-D142 PolarHBondContact O-N 3.08Å; D142-N146 PolarHBondContact O-N 2.88Å; D142-N146 PolarHBondContact O-ND2 3.14Å |
| 143 | Q | 75.8 | Confident | 70.3 | Confident | 117 Ų | 117 | 115.1 Ų | 115.1 | 55% | 0.547 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.8 | -47.8 | 172 | -73.2 | 174.4 | -9.5 | 0 | 0 | 112.1 | T139 F140 L141 N145 N146 E147 | T139-Q143 WeakPolarHBondContact O-CG 3.38Å; T139-Q143 PolarHBondContact O-N 3.12Å; T139-Q143 VanDerWaalsContact O-N 3.14Å; F140-Q143 PolarHBondContact O-N 3.48Å; L141-Q143 VanDerWaalsContact C-N 3.33Å; Q143-N145 VanDerWaalsContact C-N 3.3Å; Q143-N145 PolarHBondContact O-N 3.46Å; Q143-N146 PolarHBondContact O-N 3.08Å; Q143-E147 PolarHBondContact O-N 3.21Å; Q143-E147 VanDerWaalsContact O-N 3.08Å |
| 144 | L | 74.5 | Confident | 70.3 | Confident | 80 Ų | 80 | 115.7 Ų | 115.7 | 42% | 0.419 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60.3 | -37.9 | 179 | -78.5 | 172.9 | 0 | 0 | 0 | 113 | F140 L141 K148 | F140-L144 HydrophobicContact CD1-CD1 3.86Å; F140-L144 HydrophobicContact CD1-CG 4.49Å; F140-L144 HydrophobicContact CE1-CD1 3.44Å; F140-L144 VanDerWaalsContact CE1-CD1 3.44Å; F140-L144 HydrophobicContact CE1-CG 4.14Å; F140-L144 HydrophobicContact CZ-CD1 4.05Å; F140-L144 HydrophobicContact CZ-CG 4.34Å; F140-L144 PolarHBondContact O-N 3.34Å; F140-L144 VanDerWaalsContact O-N 3.08Å; L141-L144 PolarHBondContact O-N 3.26Å; L144-K148 PolarHBondContact O-N 2.84Å; L144-K148 VanDerWaalsContact O-N 3.12Å |
| 145 | N | 73.7 | Confident | 70.5 | Confident | 88 Ų | 88 | 119.2 Ų | 119.2 | 47% | 0.471 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70.2 | -36.2 | 179.7 | -159.5 | 22.1 | 0 | 0 | 0 | 111.9 | L141 Q143 K148 N149 | L141-N145 PolarHBondContact O-N 3.12Å; L141-N145 VanDerWaalsContact O-N 3.12Å; Q143-N145 VanDerWaalsContact C-N 3.3Å; Q143-N145 PolarHBondContact O-N 3.46Å; N145-K148 PolarHBondContact O-N 3.41Å; N145-N149 PolarHBondContact O-N 3.12Å; N145-N149 PolarHBondContact O-ND2 3.31Å; N145-N149 VanDerWaalsContact O-ND2 3.08Å |
| 146 | N | 75.6 | Confident | 70.8 | Confident | 89 Ų | 89 | 121 Ų | 121 | 48% | 0.476 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -70.6 | -33.3 | 176.8 | -75.4 | -47.8 | 0 | 0 | 0 | 112.9 | D142 Q143 R150 | D142-N146 PolarHBondContact O-N 2.88Å; D142-N146 PolarHBondContact O-ND2 3.14Å; Q143-N146 PolarHBondContact O-N 3.08Å; N146-R150 WeakPolarHBondContact O-CG 3.4Å |
| 147 | E | 75.7 | Confident | 70.8 | Confident | 140 Ų | 140 | 119.2 Ų | 119.2 | 65% | 0.654 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.6 | -43.2 | 172.6 | -74.5 | -175.4 | 167.6 | 0 | 0 | 111.7 | Q143 N149 R150 G151 | Q143-E147 PolarHBondContact O-N 3.21Å; Q143-E147 VanDerWaalsContact O-N 3.08Å; E147-N149 VanDerWaalsContact C-N 3.28Å; E147-N149 PolarHBondContact O-N 3.11Å; E147-R150 PolarHBondContact O-N 3.37Å; E147-R150 VanDerWaalsContact O-N 3.12Å; E147-G151 PolarHBondContact O-N 3.39Å |
| 148 | K | 74 | Confident | 71 | Confident | 160 Ų | 160 | 118.4 Ų | 118.4 | 70% | 0.696 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.1 | -31.6 | 179.2 | -169.8 | 179 | 178.7 | -176.5 | 0 | 113.5 | L144 N145 R150 | L144-K148 PolarHBondContact O-N 2.84Å; L144-K148 VanDerWaalsContact O-N 3.12Å; N145-K148 PolarHBondContact O-N 3.41Å; K148-R150 VanDerWaalsContact C-N 3.33Å |
| 149 | N | 69.9 | Low | 71.2 | Confident | 118 Ų | 118 | 120.1 Ų | 120.1 | 63% | 0.631 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -5.3 | 178.4 | -66.2 | -34 | 0 | 0 | 0 | 113.6 | N145 E147 | N145-N149 PolarHBondContact O-N 3.12Å; N145-N149 PolarHBondContact O-ND2 3.31Å; N145-N149 VanDerWaalsContact O-ND2 3.08Å; E147-N149 VanDerWaalsContact C-N 3.28Å; E147-N149 PolarHBondContact O-N 3.11Å |
| 150 | R | 63.4 | Low | 71.1 | Confident | 228 Ų | 228 | 123.3 Ų | 123.3 | 86% | 0.86 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.3 | -17.4 | 177.5 | -78.9 | -178.2 | 176.1 | -175.6 | 0.5 | 113.9 | N146 E147 K148 | N146-R150 WeakPolarHBondContact O-CG 3.4Å; E147-R150 PolarHBondContact O-N 3.37Å; E147-R150 VanDerWaalsContact O-N 3.12Å; K148-R150 VanDerWaalsContact C-N 3.33Å |
| 151 | G | 55.5 | Low | 71.1 | Confident | 123 Ų | 123 | 123.2 Ų | 123.2 | 100% | 1.268 | 65% | 0.649 | S | S | * | * | | | trans | -96.6 | 0 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E147 | E147-G151 PolarHBondContact O-N 3.39Š|