| 1 | M | 47.5 | Very low | 56.8 | Low | 244 Ų | 244 | 138.5 Ų | 138.5 | 100% | 1.202 | 72% | 0.721 | S | S | * | * | | | | 0 | 92.6 | 0 | -77.5 | 163.9 | 83 | 0 | 0 | 106.5 | | |
| 2 | F | 49.4 | Very low | 57.1 | Low | 207 Ų | 207 | 136.8 Ų | 136.8 | 91% | 0.908 | 71% | 0.707 | S | S | * | * | | | trans | -99 | 88.9 | 174.2 | -134.4 | -93.3 | 0 | 0 | 0 | 105.2 | | |
| 3 | G | 57.9 | Low | 57.3 | Low | 85 Ų | 85 | 136.8 Ų | 136.8 | 88% | 0.876 | 71% | 0.709 | S | S | * | * | | | trans | -85.5 | 110.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 4 | G | 59.2 | Low | 57.8 | Low | 39 Ų | 39 | 136 Ų | 136 | 40% | 0.402 | 71% | 0.706 | S | S | . | * | | | trans | -177 | 65.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 5 | Y | 54.3 | Low | 58.3 | Low | 228 Ų | 228 | 136.4 Ų | 136.4 | 89% | 0.894 | 71% | 0.709 | S | S | * | * | | | trans | -130.4 | 78.8 | 155 | -57.4 | -76.6 | 0 | 0 | 0 | 104.6 | T7 | Y5-T7 PolarHBondContact O-N 3.49Š|
| 6 | E | 61.1 | Low | 58.5 | Low | 130 Ų | 130 | 139.4 Ų | 139.4 | 61% | 0.607 | 71% | 0.71 | S | S | * | * | | | trans | -42.7 | 127.2 | 147.4 | -99.8 | 69.9 | -151.4 | 0 | 0 | 107 | I8 Y11 | E6-I8 PolarHBondContact O-N 3.23Å; E6-Y11 HydrophobicContact CB-CE2 3.75Å; E6-Y11 HydrophobicContact CG-CE2 4.45Å |
| 7 | T | 60.3 | Low | 58.8 | Low | 94 Ų | 94 | 141.2 Ų | 141.2 | 58% | 0.577 | 71% | 0.705 | S | S | * | * | | | trans | -52.3 | 121.9 | 177.3 | -9.3 | 0 | 0 | 0 | 0 | 107.9 | Y5 E9 A10 | Y5-T7 PolarHBondContact O-N 3.49Å; T7-E9 HydrophobicContact CG2-CB 4.32Å; T7-E9 PolarHBondContact O-N 2.91Å; T7-A10 WeakPolarHBondContact O-CB 3.37Å; T7-A10 PolarHBondContact O-N 3.19Å |
| 8 | I | 58.9 | Low | 58.4 | Low | 130 Ų | 130 | 141.2 Ų | 141.2 | 67% | 0.667 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -49.9 | -30.1 | 176 | -68.2 | 163.7 | 0 | 0 | 0 | 110.9 | E6 A10 Y11 | E6-I8 PolarHBondContact O-N 3.23Å; I8-A10 PolarHBondContact O-N 3.1Å; I8-Y11 PolarHBondContact O-N 3.45Å |
| 9 | E | 58.5 | Low | 58 | Low | 154 Ų | 154 | 142.3 Ų | 142.3 | 72% | 0.72 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -58.1 | -27.4 | 174.9 | -146.7 | 168.5 | -145.7 | 0 | 0 | 114.3 | T7 Y11 | T7-E9 HydrophobicContact CG2-CB 4.32Å; T7-E9 PolarHBondContact O-N 2.91Å; E9-Y11 VanDerWaalsContact C-N 3.32Å |
| 10 | A | 60.4 | Low | 57.7 | Low | 56 Ų | 56 | 139.9 Ų | 139.9 | 46% | 0.463 | 71% | 0.708 | S | S | . | * | G | 310 helix | trans | -78.4 | -16.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T7 I8 | T7-A10 WeakPolarHBondContact O-CB 3.37Å; T7-A10 PolarHBondContact O-N 3.19Å; I8-A10 PolarHBondContact O-N 3.1Å |
| 11 | Y | 57.5 | Low | 57.5 | Low | 157 Ų | 157 | 137.1 Ų | 137.1 | 62% | 0.616 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -9.8 | 179 | -74.1 | -79 | 0 | 0 | 0 | 113.5 | E6 I8 E9 | E6-Y11 HydrophobicContact CB-CE2 3.75Å; E6-Y11 HydrophobicContact CG-CE2 4.45Å; I8-Y11 PolarHBondContact O-N 3.45Å; E9-Y11 VanDerWaalsContact C-N 3.32Å |
| 12 | E | 60 | Low | 58 | Low | 117 Ų | 117 | 130.2 Ų | 130.2 | 55% | 0.547 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.6 | -34 | 178.3 | -69 | -178.8 | -165.2 | 0 | 0 | 111.7 | D14 L15 Y16 | E12-D14 PolarHBondContact O-N 3.12Å; E12-L15 PolarHBondContact O-N 3.13Å; E12-Y16 WeakPolarHBondContact O-CD2 3.41Å |
| 13 | D | 60.2 | Low | 58.3 | Low | 137 Ų | 137 | 128.8 Ų | 128.8 | 73% | 0.733 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -34.5 | -176.7 | -122.6 | 25.4 | 0 | 0 | 0 | 113.1 | | |
| 14 | D | 64.2 | Low | 58.3 | Low | 126 Ų | 126 | 132.6 Ų | 132.6 | 67% | 0.674 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -23.6 | 179 | -77.4 | -25.3 | 0 | 0 | 0 | 113 | E12 | E12-D14 PolarHBondContact O-N 3.12Š|
| 15 | L | 65.4 | Low | 58.4 | Low | 142 Ų | 142 | 134.9 Ų | 134.9 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -25.1 | -177.4 | -168.9 | 64.7 | 0 | 0 | 0 | 112.8 | E12 | E12-L15 PolarHBondContact O-N 3.13Š|
| 16 | Y | 60.8 | Low | 59.1 | Low | 185 Ų | 185 | 129 Ų | 129 | 73% | 0.725 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 16.6 | 178.4 | -70.7 | -79.3 | 0 | 0 | 0 | 113.1 | E12 D18 | E12-Y16 WeakPolarHBondContact O-CD2 3.41Å; Y16-D18 PolarHBondContact O-N 3.02Å |
| 17 | R | 64.3 | Low | 60 | Low | 169 Ų | 169 | 127.4 Ų | 127.4 | 64% | 0.638 | 67% | 0.666 | S | S | * | * | | | trans | -63.7 | 109.5 | 166.4 | -86.2 | -162.9 | 69.4 | -122.4 | -4.2 | 108.2 | E19 | R17-E19 PolarHBondContact O-N 3.19Š|
| 18 | D | 51.2 | Low | 61.1 | Low | 141 Ų | 141 | 127.4 Ų | 127.4 | 75% | 0.754 | 67% | 0.67 | S | S | * | * | | | trans | -60.3 | 83.8 | 162 | -65.9 | -44.5 | 0 | 0 | 0 | 108.3 | Y16 S20 | Y16-D18 PolarHBondContact O-N 3.02Å; D18-S20 PolarHBondContact O-N 2.78Å |
| 19 | E | 51.1 | Low | 62.4 | Low | 162 Ų | 162 | 125.5 Ų | 125.5 | 76% | 0.757 | 66% | 0.658 | S | S | * | * | | | trans | -70.5 | 47.9 | 154.9 | 51.4 | -176.5 | 156.3 | 0 | 0 | 109.6 | R17 S21 | R17-E19 PolarHBondContact O-N 3.19Å; E19-S21 PolarHBondContact O-N 3.19Å |
| 20 | S | 52 | Low | 63.8 | Low | 94 Ų | 94 | 121.9 Ų | 121.9 | 66% | 0.657 | 65% | 0.646 | S | S | * | * | | | trans | -72.4 | 73.1 | 167.1 | -74.5 | 0 | 0 | 0 | 0 | 107.9 | D18 S22 | D18-S20 PolarHBondContact O-N 2.78Å; S20-S22 PolarHBondContact O-N 2.98Å |
| 21 | S | 54.6 | Low | 65.1 | Low | 83 Ų | 83 | 125.4 Ų | 125.4 | 58% | 0.58 | 65% | 0.653 | S | S | * | * | | | trans | -73.6 | 102.8 | 164.8 | -60.8 | 0 | 0 | 0 | 0 | 107.2 | E19 E23 | E19-S21 PolarHBondContact O-N 3.19Å; S21-E23 PolarHBondContact O-N 2.72Å |
| 22 | S | 57.4 | Low | 66.6 | Low | 99 Ų | 99 | 124 Ų | 124 | 69% | 0.692 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 26.2 | 170.8 | -53 | 0 | 0 | 0 | 0 | 113.4 | S20 S25 | S20-S22 PolarHBondContact O-N 2.98Å; S22-S25 PolarHBondContact O-OG 2.84Å |
| 23 | E | 54.5 | Low | 68 | Low | 177 Ų | 177 | 123.7 Ų | 123.7 | 83% | 0.827 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -1.9 | -174.3 | -61.7 | -176.8 | 136.3 | 0 | 0 | 113 | S21 | S21-E23 PolarHBondContact O-N 2.72Š|
| 24 | L | 58.9 | Low | 69.4 | Low | 164 Ų | 164 | 122 Ų | 122 | 86% | 0.859 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -124.2 | 11.1 | 174 | -147.3 | 115.9 | 0 | 0 | 0 | 113.5 | V26 | L24-V26 PolarHBondContact O-N 2.71Š|
| 25 | S | 60.5 | Low | 70.6 | Confident | 88 Ų | 88 | 122.2 Ų | 122.2 | 62% | 0.615 | 63% | 0.632 | S | S | * | * | | | trans | -78.8 | 108.5 | 167 | 55.8 | 0 | 0 | 0 | 0 | 108 | S22 D27 | S22-S25 PolarHBondContact O-OG 2.84Å; S25-D27 PolarHBondContact O-N 3.43Å |
| 26 | V | 69.1 | Low | 71.8 | Confident | 104 Ų | 104 | 116.8 Ų | 116.8 | 63% | 0.63 | 61% | 0.606 | S | S | * | * | | | trans | -54.5 | 130.5 | 163 | 178.8 | 0 | 0 | 0 | 0 | 106.8 | L24 S28 | L24-V26 PolarHBondContact O-N 2.71Å; V26-S28 PolarHBondContact O-N 3.4Å |
| 27 | D | 80.5 | Confident | 73.1 | Confident | 96 Ų | 96 | 114.4 Ų | 114.4 | 51% | 0.513 | 60% | 0.601 | S | S | . | * | | | trans | -53.5 | 117.7 | 176.4 | -179.8 | 6.6 | 0 | 0 | 0 | 108.5 | S25 E29 V30 E31 | S25-D27 PolarHBondContact O-N 3.43Å; D27-E29 PolarHBondContact O-N 3.1Å; D27-E29 WeakPolarHBondContact OD1-CB 3.5Å; D27-E29 PolarHBondContact OD1-N 3.33Å; D27-V30 HydrophobicContact CB-CB 4.43Å; D27-V30 HydrophobicContact CB-CG2 3.96Å; D27-V30 WeakPolarHBondContact O-CB 3.04Å; D27-V30 PolarHBondContact O-N 3.49Å; D27-E31 PolarHBondContact O-N 2.97Å |
| 28 | S | 83.3 | Confident | 74.1 | Confident | 94 Ų | 94 | 111.9 Ų | 111.9 | 66% | 0.657 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -56.9 | -24.7 | -177.7 | 50.8 | 0 | 0 | 0 | 0 | 112.1 | V26 F32 | V26-S28 PolarHBondContact O-N 3.4Å; S28-F32 WeakPolarHBondContact O-CB 3.31Å; S28-F32 PolarHBondContact O-N 3.18Å |
| 29 | E | 86.3 | Confident | 75.7 | Confident | 91 Ų | 91 | 109.8 Ų | 109.8 | 43% | 0.425 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67 | -38.4 | 172.6 | 179.1 | 62.7 | -130.1 | 0 | 0 | 112.3 | D27 F32 Q33 | D27-E29 PolarHBondContact O-N 3.1Å; D27-E29 WeakPolarHBondContact OD1-CB 3.5Å; D27-E29 PolarHBondContact OD1-N 3.33Å; E29-F32 PolarHBondContact O-N 2.86Å; E29-Q33 VanDerWaalsContact O-CG 3.31Å; E29-Q33 WeakPolarHBondContact O-CG 3.37Å; E29-Q33 PolarHBondContact O-N 3.45Å; E29-Q33 WeakPolarHBondContact OE1-CG 3.36Å; E29-Q33 PolarHBondContact OE1-NE2 3.1Å |
| 30 | V | 87.9 | Confident | 77.4 | Confident | 77 Ų | 77 | 109.8 Ų | 109.8 | 47% | 0.467 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.7 | -38.6 | 178.2 | 174.6 | 0 | 0 | 0 | 0 | 111 | D27 Q33 L34 | D27-V30 HydrophobicContact CB-CB 4.43Å; D27-V30 HydrophobicContact CB-CG2 3.96Å; D27-V30 WeakPolarHBondContact O-CB 3.04Å; D27-V30 PolarHBondContact O-N 3.49Å; V30-Q33 PolarHBondContact O-N 2.88Å; V30-L34 WeakPolarHBondContact O-CB 3.46Å; V30-L34 PolarHBondContact O-N 3.1Å; V30-L34 VanDerWaalsContact O-N 3.07Å |
| 31 | E | 87.6 | Confident | 78.3 | Confident | 130 Ų | 130 | 108 Ų | 108 | 61% | 0.607 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.4 | -44.3 | 173.8 | -173.8 | 177.2 | 173.1 | 0 | 0 | 111.1 | D27 Q33 L34 Y35 | D27-E31 PolarHBondContact O-N 2.97Å; E31-Q33 PolarHBondContact O-N 3.48Å; E31-L34 PolarHBondContact O-N 3.45Å; E31-Y35 WeakPolarHBondContact O-CB 3.49Å; E31-Y35 PolarHBondContact O-N 2.75Å |
| 32 | F | 88.1 | Confident | 79 | Confident | 127 Ų | 127 | 110.8 Ų | 110.8 | 56% | 0.557 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.2 | -42.4 | 176.9 | 179.4 | -100.5 | 0 | 0 | 0 | 112.4 | S28 E29 S36 | S28-F32 WeakPolarHBondContact O-CB 3.31Å; S28-F32 PolarHBondContact O-N 3.18Å; E29-F32 PolarHBondContact O-N 2.86Å; F32-S36 VanDerWaalsContact O-CB 3.23Å; F32-S36 WeakPolarHBondContact O-CB 3.34Å; F32-S36 PolarHBondContact O-N 3.32Å; F32-S36 PolarHBondContact O-OG 3.05Å |
| 33 | Q | 90.5 | Very high | 79.4 | Confident | 112 Ų | 112 | 112.7 Ų | 112.7 | 52% | 0.523 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.6 | -43.8 | 177 | -73.1 | 173.7 | 18.3 | 0 | 0 | 112.4 | E29 V30 E31 S36 Q37 | E29-Q33 VanDerWaalsContact O-CG 3.31Å; E29-Q33 WeakPolarHBondContact O-CG 3.37Å; E29-Q33 PolarHBondContact O-N 3.45Å; E29-Q33 WeakPolarHBondContact OE1-CG 3.36Å; E29-Q33 PolarHBondContact OE1-NE2 3.1Å; V30-Q33 PolarHBondContact O-N 2.88Å; E31-Q33 PolarHBondContact O-N 3.48Å; Q33-S36 PolarHBondContact O-N 3.34Å; Q33-Q37 PolarHBondContact O-N 3.45Å |
| 34 | L | 88.4 | Confident | 79.6 | Confident | 101 Ų | 101 | 111 Ų | 111 | 53% | 0.529 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.7 | -44.9 | -180 | -178.2 | 60 | 0 | 0 | 0 | 111.6 | V30 E31 S36 Q37 I38 | V30-L34 WeakPolarHBondContact O-CB 3.46Å; V30-L34 PolarHBondContact O-N 3.1Å; V30-L34 VanDerWaalsContact O-N 3.07Å; E31-L34 PolarHBondContact O-N 3.45Å; L34-S36 VanDerWaalsContact C-N 3.29Å; L34-S36 PolarHBondContact O-N 3.49Å; L34-Q37 PolarHBondContact O-N 3.46Å; L34-I38 HydrophobicContact CD1-CD1 4.16Å; L34-I38 HydrophobicContact CG-CD1 4.12Å; L34-I38 WeakPolarHBondContact O-CG1 3.44Å; L34-I38 PolarHBondContact O-N 2.84Å; L34-I38 VanDerWaalsContact O-N 3.13Å |
| 35 | Y | 90.4 | Very high | 79.5 | Confident | 130 Ų | 130 | 106.6 Ų | 106.6 | 51% | 0.51 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 174.3 | -170.4 | -95.2 | 0 | 0 | 0 | 111.2 | E31 Q37 I38 H39 Y40 | E31-Y35 WeakPolarHBondContact O-CB 3.49Å; E31-Y35 PolarHBondContact O-N 2.75Å; Y35-Q37 PolarHBondContact O-N 3.34Å; Y35-I38 PolarHBondContact O-N 2.94Å; Y35-H39 AromaticContact CD2-CD2 3.67Å; Y35-H39 AromaticContact CE1-CD2 3.96Å; Y35-H39 AromaticContact CE2-CD2 3.49Å; Y35-H39 VanDerWaalsContact CE2-CD2 3.49Å; Y35-H39 WeakPolarHBondContact CE2-CD2 3.45Å; Y35-H39 AromaticContact CE2-NE2 3.61Å; Y35-H39 AromaticContact CG-CD2 3.98Å; Y35-H39 AromaticContact CZ-CD2 3.65Å; Y35-H39 WeakPolarHBondContact O-CB 3.23Å; Y35-H39 PolarHBondContact O-CD2 3.48Å; Y35-H39 PolarHBondContact O-N 3.35Å; Y35-Y40 HydrophobicContact CE1-CE2 4.49Å |
| 36 | S | 90.3 | Very high | 79.2 | Confident | 28 Ų | 28 | 107.9 Ų | 107.9 | 20% | 0.196 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -64.8 | -37.9 | 178 | -62 | 0 | 0 | 0 | 0 | 113 | F32 Q33 L34 Y40 | F32-S36 VanDerWaalsContact O-CB 3.23Å; F32-S36 WeakPolarHBondContact O-CB 3.34Å; F32-S36 PolarHBondContact O-N 3.32Å; F32-S36 PolarHBondContact O-OG 3.05Å; Q33-S36 PolarHBondContact O-N 3.34Å; L34-S36 VanDerWaalsContact C-N 3.29Å; L34-S36 PolarHBondContact O-N 3.49Å; S36-Y40 CarbonylContact O-C 3.59Å; S36-Y40 WeakPolarHBondContact O-CA 3.33Å; S36-Y40 WeakPolarHBondContact O-CB 3.41Å; S36-Y40 PolarHBondContact O-N 3.07Å |
| 37 | Q | 87.4 | Confident | 78.6 | Confident | 136 Ų | 136 | 108.6 Ų | 108.6 | 64% | 0.636 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.9 | -41 | 176.9 | -172.9 | 175.8 | 12.7 | 0 | 0 | 112 | Q33 L34 Y35 A41 | Q33-Q37 PolarHBondContact O-N 3.45Å; L34-Q37 PolarHBondContact O-N 3.46Å; Y35-Q37 PolarHBondContact O-N 3.34Å; Q37-A41 HydrophobicContact CG-CB 4.31Å; Q37-A41 WeakPolarHBondContact O-CB 3.49Å |
| 38 | I | 86.1 | Confident | 77.5 | Confident | 116 Ų | 116 | 110.4 Ų | 110.4 | 60% | 0.595 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.5 | -37.8 | -178.7 | -65.3 | 165.2 | 0 | 0 | 0 | 110.9 | L34 Y35 | L34-I38 HydrophobicContact CD1-CD1 4.16Å; L34-I38 HydrophobicContact CG-CD1 4.12Å; L34-I38 WeakPolarHBondContact O-CG1 3.44Å; L34-I38 PolarHBondContact O-N 2.84Å; L34-I38 VanDerWaalsContact O-N 3.13Å; Y35-I38 PolarHBondContact O-N 2.94Å |
| 39 | H | 85.8 | Confident | 75.9 | Confident | 96 Ų | 96 | 114.8 Ų | 114.8 | 44% | 0.444 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -105.1 | -22 | -168.8 | -69.8 | -71.6 | 0 | 0 | 0 | 115.1 | Y35 | Y35-H39 AromaticContact CD2-CD2 3.67Å; Y35-H39 AromaticContact CE1-CD2 3.96Å; Y35-H39 AromaticContact CE2-CD2 3.49Å; Y35-H39 VanDerWaalsContact CE2-CD2 3.49Å; Y35-H39 WeakPolarHBondContact CE2-CD2 3.45Å; Y35-H39 AromaticContact CE2-NE2 3.61Å; Y35-H39 AromaticContact CG-CD2 3.98Å; Y35-H39 AromaticContact CZ-CD2 3.65Å; Y35-H39 WeakPolarHBondContact O-CB 3.23Å; Y35-H39 PolarHBondContact O-CD2 3.48Å; Y35-H39 PolarHBondContact O-N 3.35Å |
| 40 | Y | 84.9 | Confident | 74.1 | Confident | 163 Ų | 163 | 119.2 Ų | 119.2 | 64% | 0.639 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -125.9 | 4.7 | -174.5 | -54.3 | -64.5 | 0 | 0 | 0 | 114.1 | Y35 S36 Q42 | Y35-Y40 HydrophobicContact CE1-CE2 4.49Å; S36-Y40 CarbonylContact O-C 3.59Å; S36-Y40 WeakPolarHBondContact O-CA 3.33Å; S36-Y40 WeakPolarHBondContact O-CB 3.41Å; S36-Y40 PolarHBondContact O-N 3.07Å; Y40-Q42 PolarHBondContact O-N 3.29Å |
| 41 | A | 72.9 | Confident | 72.1 | Confident | 56 Ų | 56 | 124.3 Ų | 124.3 | 46% | 0.463 | 60% | 0.603 | S | S | . | * | | | trans | -84.5 | 13 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q37 D43 | Q37-A41 HydrophobicContact CG-CB 4.31Å; Q37-A41 WeakPolarHBondContact O-CB 3.49Å; A41-D43 PolarHBondContact O-N 3.44Å; A41-D43 VanDerWaalsContact O-N 3.1Å |
| 42 | Q | 68.1 | Low | 70.1 | Confident | 142 Ų | 142 | 126.8 Ų | 126.8 | 66% | 0.664 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -5.2 | -168.8 | -147.7 | 165.2 | 5.9 | 0 | 0 | 114.1 | Y40 L44 | Y40-Q42 PolarHBondContact O-N 3.29Å; Q42-L44 PolarHBondContact O-N 3.13Å |
| 43 | D | 65.7 | Low | 67.8 | Low | 139 Ų | 139 | 128.8 Ų | 128.8 | 74% | 0.743 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -4.6 | -170.1 | -55 | 21.9 | 0 | 0 | 0 | 113.8 | A41 | A41-D43 PolarHBondContact O-N 3.44Å; A41-D43 VanDerWaalsContact O-N 3.1Å |
| 44 | L | 59.8 | Low | 65.3 | Low | 140 Ų | 140 | 130 Ų | 130 | 73% | 0.733 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.9 | -15.8 | -173.4 | -77.5 | 161.9 | 0 | 0 | 0 | 115.3 | Q42 | Q42-L44 PolarHBondContact O-N 3.13Š|
| 45 | D | 55.5 | Low | 63.3 | Low | 73 Ų | 73 | 134.4 Ų | 134.4 | 39% | 0.39 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.6 | -24.5 | -179.6 | -164.8 | 46.6 | 0 | 0 | 0 | 113.1 | V47 I48 R49 | D45-V47 PolarHBondContact O-N 3.06Å; D45-V47 VanDerWaalsContact O-N 3.1Å; D45-I48 PolarHBondContact O-N 3.35Å; D45-R49 PolarHBondContact O-N 2.85Å; D45-R49 WeakPolarHBondContact OD2-CD 3.14Å; D45-R49 IonicContact OD2-CZ 3.4Å; D45-R49 IonicContact OD2-NE 2.71Å; D45-R49 IonicContact OD2-NH1 3.97Å; D45-R49 PolarHBondContact OD2-NH1 3.18Å |
| 46 | D | 55.6 | Low | 61.3 | Low | 115 Ų | 115 | 134.9 Ų | 134.9 | 62% | 0.615 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -4.8 | 174.8 | -80.6 | -8.2 | 0 | 0 | 0 | 113.3 | | |
| 47 | V | 55 | Low | 58.6 | Low | 119 Ų | 119 | 140.6 Ų | 140.6 | 72% | 0.721 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -20.7 | 173.9 | 174.2 | 0 | 0 | 0 | 0 | 112.8 | D45 | D45-V47 PolarHBondContact O-N 3.06Å; D45-V47 VanDerWaalsContact O-N 3.1Å |
| 48 | I | 57.3 | Low | 56.5 | Low | 134 Ų | 134 | 140.3 Ų | 140.3 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -18.6 | -171.3 | -58.5 | 175.3 | 0 | 0 | 0 | 112.5 | D45 | D45-I48 PolarHBondContact O-N 3.35Š|
| 49 | R | 49.7 | Very low | 53.9 | Low | 185 Ų | 185 | 138.2 Ų | 138.2 | 70% | 0.698 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -97.4 | -0.1 | -179.1 | -85.8 | 168.7 | 48.7 | -143.6 | -11.3 | 116.2 | D45 | D45-R49 PolarHBondContact O-N 2.85Å; D45-R49 WeakPolarHBondContact OD2-CD 3.14Å; D45-R49 IonicContact OD2-CZ 3.4Å; D45-R49 IonicContact OD2-NE 2.71Å; D45-R49 IonicContact OD2-NH1 3.97Å; D45-R49 PolarHBondContact OD2-NH1 3.18Å |
| 50 | E | 48.4 | Very low | 51.8 | Low | 184 Ų | 184 | 140 Ų | 140 | 86% | 0.86 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -111.6 | 41.2 | 172.5 | -74.6 | -163 | 160.9 | 0 | 0 | 112.9 | | |
| 51 | E | 47.7 | Very low | 49.7 | Very low | 184 Ų | 184 | 138 Ų | 138 | 86% | 0.86 | 72% | 0.724 | S | S | * | * | | | trans | -129.7 | 49.9 | 166 | -156.9 | -173.3 | -179.9 | 0 | 0 | 111.7 | | |
| 52 | E | 45.3 | Very low | 48.2 | Very low | 183 Ų | 183 | 142.8 Ų | 142.8 | 86% | 0.855 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -150.8 | 110.8 | 153.4 | -153.2 | 172.5 | 175.7 | 0 | 0 | 110.5 | | |
| 53 | H | 39.9 | Very low | 47.1 | Very low | 168 Ų | 168 | 141.6 Ų | 141.6 | 78% | 0.778 | 75% | 0.745 | S | S | * | * | | | trans | 89.1 | 88.2 | 155.4 | -149.2 | -77.7 | 0 | 0 | 0 | 119.3 | | |
| 54 | E | 37.7 | Very low | 46 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 65% | 0.645 | 75% | 0.75 | S | S | * | * | | | | -174.5 | 122.7 | 106.5 | -94.6 | -151.6 | 164.9 | 0 | 0 | 112.3 | K56 | E54-K56 VanDerWaalsContact CD-NZ 3.34Å; E54-K56 PolarHBondContact O-N 3.05Å; E54-K56 IonicContact OE1-NZ 2.75Å; E54-K56 PolarHBondContact OE1-NZ 3.07Å; E54-K56 IonicContact OE2-NZ 3.72Å; E54-K56 PolarHBondContact OE2-NZ 2.93Å |
| 55 | E | 46.8 | Very low | 45.5 | Very low | 194 Ų | 194 | 140 Ų | 140 | 91% | 0.907 | 76% | 0.756 | S | S | * | * | | | trans | -79.7 | 90.4 | 179.6 | -178.3 | -172.7 | -153.1 | 0 | 0 | 111.5 | | |
| 56 | K | 47.2 | Very low | 45.2 | Very low | 140 Ų | 140 | 142 Ų | 142 | 61% | 0.609 | 78% | 0.776 | S | S | * | * | | | trans | -153.1 | 104.3 | 167.7 | -55.3 | 180 | -167.3 | 134.5 | 0 | 114.6 | E54 | E54-K56 VanDerWaalsContact CD-NZ 3.34Å; E54-K56 PolarHBondContact O-N 3.05Å; E54-K56 IonicContact OE1-NZ 2.75Å; E54-K56 PolarHBondContact OE1-NZ 3.07Å; E54-K56 IonicContact OE2-NZ 3.72Å; E54-K56 PolarHBondContact OE2-NZ 2.93Å |
| 57 | N | 34.3 | Very low | 45.2 | Very low | 148 Ų | 148 | 146 Ų | 146 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | trans | 90.2 | 107.1 | 135.2 | -43.4 | -11.1 | 0 | 0 | 0 | 120.6 | | |
| 58 | S | 44.2 | Very low | 44.9 | Very low | 130 Ų | 130 | 145.4 Ų | 145.4 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | | | | 53.4 | 108.9 | 121.6 | -176.3 | 0 | 0 | 0 | 0 | 120.1 | | |
| 59 | G | 31.3 | Very low | 44.7 | Very low | 71 Ų | 71 | 146.4 Ų | 146.4 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | | | trans | 173.1 | 91.3 | 158.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 60 | N | 40.5 | Very low | 44.9 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | | | trans | -47.5 | 133.4 | 172.8 | -168.1 | 27.2 | 0 | 0 | 0 | 112.8 | | |
| 61 | S | 41.6 | Very low | 45.4 | Very low | 119 Ų | 119 | 146.1 Ų | 146.1 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | | | trans | -154.3 | 113.4 | 154.7 | -77.1 | 0 | 0 | 0 | 0 | 110 | | |
| 62 | E | 41.8 | Very low | 46 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | -76.5 | 146 | -176.8 | -56.6 | 173.9 | 116.5 | 0 | 0 | 111 | | |
| 63 | S | 44.4 | Very low | 46.7 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | trans | 63.1 | 108.5 | 154.3 | 69.5 | 0 | 0 | 0 | 0 | 119 | | |
| 64 | S | 41.3 | Very low | 48 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | | | | -141 | 117.5 | 126 | 64.9 | 0 | 0 | 0 | 0 | 109.9 | S66 | S64-S66 PolarHBondContact O-N 3.32Š|
| 65 | S | 49.8 | Very low | 49.2 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | | | trans | -70.5 | 121 | 169.7 | 56.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 66 | S | 49.6 | Very low | 49.7 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -142.8 | 132.5 | 150.9 | 70.5 | 0 | 0 | 0 | 0 | 109.6 | S64 | S64-S66 PolarHBondContact O-N 3.32Š|
| 67 | K | 56.5 | Low | 50.2 | Low | 200 Ų | 200 | 136.5 Ų | 136.5 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | | | trans | -77.8 | 172 | -171.6 | -107.8 | 171.3 | -179.6 | 163.4 | 0 | 110.7 | | |
| 68 | P | 46.8 | Very low | 51.5 | Low | 107 Ų | 107 | 137.7 Ų | 137.7 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | | | trans | -71 | 137.5 | -141.1 | 32.7 | -34.7 | 0 | 0 | 0 | 112.7 | Q70 | P68-Q70 PolarHBondContact O-N 3.45Š|
| 69 | N | 54 | Low | 52.3 | Low | 155 Ų | 155 | 136.4 Ų | 136.4 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | | | trans | -58.8 | 108.4 | 163.2 | -86 | -44.3 | 0 | 0 | 0 | 108.3 | K71 | N69-K71 PolarHBondContact O-N 2.93Š|
| 70 | Q | 53.2 | Low | 53.5 | Low | 186 Ų | 186 | 141.3 Ų | 141.3 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | | | trans | -64.8 | 88.8 | 171.4 | -65.9 | 179.1 | -18.6 | 0 | 0 | 107.5 | P68 K72 | P68-Q70 PolarHBondContact O-N 3.45Å; Q70-K72 PolarHBondContact O-N 2.72Å |
| 71 | K | 58.9 | Low | 54.7 | Low | 177 Ų | 177 | 141 Ų | 141 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | | | trans | -59.2 | 108.9 | 165.8 | -53.6 | -175.8 | -174.2 | -172.4 | 0 | 105.6 | N69 L73 | N69-K71 PolarHBondContact O-N 2.93Å; K71-L73 HydrophobicContact CB-CD1 4.45Å; K71-L73 PolarHBondContact O-N 3.33Å |
| 72 | K | 60.8 | Low | 55.7 | Low | 197 Ų | 197 | 141.8 Ų | 141.8 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | | | trans | -69.9 | 77.8 | 171 | -172 | -178.8 | 178.8 | -174.7 | 0 | 107.1 | Q70 I74 | Q70-K72 PolarHBondContact O-N 2.72Å; K72-I74 PolarHBondContact O-N 2.92Å |
| 73 | L | 61 | Low | 56.8 | Low | 133 Ų | 133 | 143 Ų | 143 | 70% | 0.696 | 78% | 0.781 | S | S | * | * | | | trans | -70.6 | 108.7 | 175.9 | -125.2 | 128.8 | 0 | 0 | 0 | 106.6 | K71 V75 | K71-L73 HydrophobicContact CB-CD1 4.45Å; K71-L73 PolarHBondContact O-N 3.33Å; L73-V75 VanDerWaalsContact C-N 3.33Å; L73-V75 HydrophobicContact CD2-CG2 4.12Å; L73-V75 PolarHBondContact O-N 3.35Å; L73-V75 VanDerWaalsContact O-N 3.1Å |
| 74 | I | 66.6 | Low | 57.5 | Low | 132 Ų | 132 | 144.8 Ų | 144.8 | 68% | 0.677 | 78% | 0.781 | S | S | * | * | | | trans | -76.2 | 96.7 | 167.7 | -57.8 | 175.1 | 0 | 0 | 0 | 105.3 | K72 L76 | K72-I74 PolarHBondContact O-N 2.92Å; I74-L76 HydrophobicContact CG2-CD2 3.79Å; I74-L76 HydrophobicContact CG2-CG 4.13Å; I74-L76 PolarHBondContact O-N 2.81Å |
| 75 | V | 62.8 | Low | 58.5 | Low | 106 Ų | 106 | 144.3 Ų | 144.3 | 64% | 0.642 | 78% | 0.778 | S | S | * | * | | | trans | -76.9 | 100.7 | 169.9 | 177.2 | 0 | 0 | 0 | 0 | 106.4 | L73 S77 | L73-V75 VanDerWaalsContact C-N 3.33Å; L73-V75 HydrophobicContact CD2-CG2 4.12Å; L73-V75 PolarHBondContact O-N 3.35Å; L73-V75 VanDerWaalsContact O-N 3.1Å; V75-S77 PolarHBondContact O-N 3.44Å |
| 76 | L | 58.1 | Low | 59.4 | Low | 155 Ų | 155 | 146.6 Ų | 146.6 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | trans | -77.5 | 96.6 | 169 | -64.9 | 177.8 | 0 | 0 | 0 | 107.4 | I74 D78 | I74-L76 HydrophobicContact CG2-CD2 3.79Å; I74-L76 HydrophobicContact CG2-CG 4.13Å; I74-L76 PolarHBondContact O-N 2.81Å; L76-D78 PolarHBondContact O-N 3.46Å |
| 77 | S | 55.7 | Low | 60.3 | Low | 81 Ų | 81 | 143.4 Ų | 143.4 | 57% | 0.566 | 77% | 0.765 | S | S | * | * | | | trans | -69.3 | 126.5 | 166.5 | -66.2 | 0 | 0 | 0 | 0 | 108.6 | V75 S79 | V75-S77 PolarHBondContact O-N 3.44Å; S77-S79 PolarHBondContact O-N 3.23Å |
| 78 | D | 61.7 | Low | 60.8 | Low | 174 Ų | 174 | 139 Ų | 139 | 93% | 0.93 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 30.6 | -178.4 | 44.8 | -33.9 | 0 | 0 | 0 | 114.2 | L76 | L76-D78 PolarHBondContact O-N 3.46Š|
| 79 | S | 61.7 | Low | 61.5 | Low | 103 Ų | 103 | 142.5 Ų | 142.5 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.4 | 16.9 | -173.3 | 65.6 | 0 | 0 | 0 | 0 | 116.2 | S77 | S77-S79 PolarHBondContact O-N 3.23Š|
| 80 | E | 57.3 | Low | 62.2 | Low | 174 Ų | 174 | 140.5 Ų | 140.5 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | | | trans | -95.3 | 100.8 | 175.9 | -163.2 | 150 | -158.8 | 0 | 0 | 111.6 | I82 | E80-I82 PolarHBondContact O-N 2.83Š|
| 81 | V | 64.6 | Low | 62.7 | Low | 128 Ų | 128 | 138.3 Ų | 138.3 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | | | trans | -74.7 | 101.2 | 167.9 | 179.5 | 0 | 0 | 0 | 0 | 107.3 | Q83 | V81-Q83 PolarHBondContact O-N 3.3Š|
| 82 | I | 64 | Low | 63.2 | Low | 136 Ų | 136 | 135.9 Ų | 135.9 | 70% | 0.697 | 75% | 0.753 | S | S | * | * | | | trans | -68 | 103.1 | 172.4 | -55.9 | 174.4 | 0 | 0 | 0 | 107.5 | E80 L84 | E80-I82 PolarHBondContact O-N 2.83Å; I82-L84 HydrophobicContact CG2-CD2 3.86Å; I82-L84 HydrophobicContact CG2-CG 4.27Å; I82-L84 PolarHBondContact O-N 2.86Å; I82-L84 VanDerWaalsContact O-N 3.12Å |
| 83 | Q | 62.9 | Low | 63.1 | Low | 181 Ų | 181 | 134 Ų | 134 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | | | trans | -74.6 | 95.9 | 168.7 | -86.2 | -175 | -6.6 | 0 | 0 | 108.8 | V81 S85 | V81-Q83 PolarHBondContact O-N 3.3Å; Q83-S85 PolarHBondContact O-N 3.25Å; Q83-S85 VanDerWaalsContact O-N 3.13Å |
| 84 | L | 60.5 | Low | 63.2 | Low | 157 Ų | 157 | 132.9 Ų | 132.9 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | | | trans | -71.8 | 99.9 | 162.4 | -59.1 | 177.6 | 0 | 0 | 0 | 107.2 | I82 D86 | I82-L84 HydrophobicContact CG2-CD2 3.86Å; I82-L84 HydrophobicContact CG2-CG 4.27Å; I82-L84 PolarHBondContact O-N 2.86Å; I82-L84 VanDerWaalsContact O-N 3.12Å; L84-D86 PolarHBondContact O-N 3.33Å |
| 85 | S | 62.8 | Low | 63.1 | Low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | | | trans | -68.3 | 125.7 | 168 | -179.5 | 0 | 0 | 0 | 0 | 107.6 | Q83 G87 | Q83-S85 PolarHBondContact O-N 3.25Å; Q83-S85 VanDerWaalsContact O-N 3.13Å; S85-G87 PolarHBondContact O-N 2.93Å |
| 86 | D | 67.7 | Low | 62.9 | Low | 172 Ų | 172 | 136.8 Ų | 136.8 | 92% | 0.92 | 77% | 0.768 | S | S | * | * | | | trans | -68.8 | 58.5 | 176.7 | -173.3 | 32.7 | 0 | 0 | 0 | 111.2 | L84 | L84-D86 PolarHBondContact O-N 3.33Š|
| 87 | G | 68.1 | Low | 63.1 | Low | 48 Ų | 48 | 137.9 Ų | 137.9 | 50% | 0.495 | 77% | 0.774 | S | S | . | * | | | trans | -110.1 | 107.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | S85 E89 | S85-G87 PolarHBondContact O-N 2.93Å; G87-E89 PolarHBondContact O-N 3.23Å |
| 88 | S | 68.3 | Low | 63.1 | Low | 107 Ų | 107 | 139.5 Ų | 139.5 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | trans | -56.2 | 100.6 | 175.4 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | V90 | S88-V90 PolarHBondContact O-N 3.19Å; S88-V90 VanDerWaalsContact O-N 3.1Å |
| 89 | E | 60.7 | Low | 63.2 | Low | 180 Ų | 180 | 137 Ų | 137 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | | | trans | -75.7 | 95.2 | 171.2 | 33 | -168.6 | 155 | 0 | 0 | 109.1 | G87 I91 | G87-E89 PolarHBondContact O-N 3.23Å; E89-I91 PolarHBondContact O-N 3.4Å |
| 90 | V | 68 | Low | 63.1 | Low | 113 Ų | 113 | 141.4 Ų | 141.4 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | | | trans | -81.5 | 113.4 | 173.8 | -178 | 0 | 0 | 0 | 0 | 108.2 | S88 T92 | S88-V90 PolarHBondContact O-N 3.19Å; S88-V90 VanDerWaalsContact O-N 3.1Å; V90-T92 PolarHBondContact O-N 3.4Å |
| 91 | I | 64.8 | Low | 63.5 | Low | 141 Ų | 141 | 142.7 Ų | 142.7 | 72% | 0.723 | 77% | 0.771 | S | S | * | * | | | trans | -85 | 108.4 | 173.3 | -55.7 | 173.1 | 0 | 0 | 0 | 107.8 | E89 L93 | E89-I91 PolarHBondContact O-N 3.4Å; I91-L93 HydrophobicContact CG2-CD2 4.06Å; I91-L93 PolarHBondContact O-N 2.87Å |
| 92 | T | 69.1 | Low | 63.2 | Low | 126 Ų | 126 | 141 Ų | 141 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | | | trans | -84.7 | 108.4 | 174.5 | -39.7 | 0 | 0 | 0 | 0 | 109.3 | V90 | V90-T92 PolarHBondContact O-N 3.4Š|
| 93 | L | 58.3 | Low | 63.4 | Low | 157 Ų | 157 | 143.9 Ų | 143.9 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | trans | -83.9 | 113.8 | 170.6 | -59.7 | 177.1 | 0 | 0 | 0 | 108.3 | I91 | I91-L93 HydrophobicContact CG2-CD2 4.06Å; I91-L93 PolarHBondContact O-N 2.87Å |
| 94 | S | 64.3 | Low | 63.2 | Low | 109 Ų | 109 | 138.7 Ų | 138.7 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | | | trans | -96.4 | 122.7 | 173.2 | -166.4 | 0 | 0 | 0 | 0 | 108.3 | E96 | S94-E96 VanDerWaalsContact C-N 3.34Å; S94-E96 PolarHBondContact O-N 3Å |
| 95 | D | 64.3 | Low | 63.1 | Low | 157 Ų | 157 | 140.2 Ų | 140.2 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | | | trans | -89.9 | 59.5 | -178.8 | 67.2 | -26.6 | 0 | 0 | 0 | 111.5 | | |
| 96 | E | 57.7 | Low | 62.8 | Low | 164 Ų | 164 | 142.9 Ų | 142.9 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -143.5 | 105.9 | 171.1 | -161.6 | 156.9 | 174.3 | 0 | 0 | 111.9 | S94 S98 | S94-E96 VanDerWaalsContact C-N 3.34Å; S94-E96 PolarHBondContact O-N 3Å; E96-S98 PolarHBondContact O-N 2.86Å |
| 97 | D | 62.5 | Low | 61.8 | Low | 177 Ų | 177 | 141 Ų | 141 | 95% | 0.947 | 77% | 0.767 | S | S | * | * | | | trans | -0.5 | 74.7 | 167.1 | -81.1 | -21.9 | 0 | 0 | 0 | 117.2 | | |
| 98 | S | 55.3 | Low | 60.8 | Low | 115 Ų | 115 | 149.3 Ų | 149.3 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | -118.8 | 103.3 | 172 | -140.1 | 0 | 0 | 0 | 0 | 111.4 | E96 Y100 | E96-S98 PolarHBondContact O-N 2.86Å; S98-Y100 PolarHBondContact O-N 2.74Å; S98-Y100 VanDerWaalsContact O-N 3.11Å |
| 99 | I | 65.4 | Low | 59.6 | Low | 123 Ų | 123 | 150.7 Ų | 150.7 | 63% | 0.631 | 79% | 0.787 | S | S | * | * | | | trans | -51.4 | 116.5 | 170 | -66.2 | 167.6 | 0 | 0 | 0 | 109 | R101 | I99-R101 PolarHBondContact O-N 2.97Š|
| 100 | Y | 58.9 | Low | 58.6 | Low | 194 Ų | 194 | 151 Ų | 151 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | | | trans | -56 | 105.4 | -177.6 | -172.8 | -111.6 | 0 | 0 | 0 | 111.5 | S98 C102 | S98-Y100 PolarHBondContact O-N 2.74Å; S98-Y100 VanDerWaalsContact O-N 3.11Å; Y100-C102 HydrophobicContact CD1-CB 4.14Å; Y100-C102 WeakPolarHBondContact CD1-SG 3.33Å; Y100-C102 HydrophobicContact CE1-CB 3.54Å; Y100-C102 WeakPolarHBondContact CE1-SG 3.45Å |
| 101 | R | 65.8 | Low | 57.4 | Low | 201 Ų | 201 | 149.8 Ų | 149.8 | 76% | 0.758 | 79% | 0.79 | S | S | * | * | | | trans | -94 | 89.8 | 170.6 | -53.3 | -70.4 | -170.4 | -141 | -5.6 | 108.2 | I99 K103 | I99-R101 PolarHBondContact O-N 2.97Å; R101-K103 VanDerWaalsContact C-N 3.34Å; R101-K103 PolarHBondContact O-N 3.25Å |
| 102 | C | 59 | Low | 56.3 | Low | 94 Ų | 94 | 151.9 Ų | 151.9 | 64% | 0.635 | 80% | 0.797 | S | S | * | * | | | trans | -72.8 | 92.7 | 168.7 | 15.4 | 0 | 0 | 0 | 0 | 109.4 | Y100 G104 | Y100-C102 HydrophobicContact CD1-CB 4.14Å; Y100-C102 WeakPolarHBondContact CD1-SG 3.33Å; Y100-C102 HydrophobicContact CE1-CB 3.54Å; Y100-C102 WeakPolarHBondContact CE1-SG 3.45Å; C102-G104 PolarHBondContact O-N 2.9Å |
| 103 | K | 66.8 | Low | 54.7 | Low | 195 Ų | 195 | 153.4 Ų | 153.4 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | | | trans | -74.9 | 101.1 | 164.6 | -166 | 87.7 | 175.7 | -172.1 | 0 | 107.6 | R101 K105 | R101-K103 VanDerWaalsContact C-N 3.34Å; R101-K103 PolarHBondContact O-N 3.25Å; K103-K105 PolarHBondContact O-N 3.11Å |
| 104 | G | 58.4 | Low | 53.7 | Low | 73 Ų | 73 | 153 Ų | 153 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | trans | -55.6 | 120.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | C102 | C102-G104 PolarHBondContact O-N 2.9Š|
| 105 | K | 59 | Low | 52.2 | Low | 189 Ų | 189 | 152.5 Ų | 152.5 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | -105.7 | 102.6 | 172.6 | 52.2 | 179.4 | 168.9 | -176.4 | 0 | 109.5 | K103 V107 | K103-K105 PolarHBondContact O-N 3.11Å; K105-V107 PolarHBondContact O-N 2.97Å |
| 106 | N | 55.9 | Low | 50.9 | Low | 165 Ų | 165 | 154.6 Ų | 154.6 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | | | trans | -80.2 | 106.5 | 159.2 | -60.8 | -57 | 0 | 0 | 0 | 106.9 | | |
| 107 | V | 48.3 | Very low | 49.6 | Very low | 133 Ų | 133 | 150.2 Ų | 150.2 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | | | trans | -126.4 | 108.5 | 169.7 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | K105 | K105-V107 PolarHBondContact O-N 2.97Š|
| 108 | R | 46.8 | Very low | 48.6 | Very low | 222 Ų | 222 | 150.7 Ų | 150.7 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | | | trans | -45.3 | 137.7 | 164.9 | 175.4 | -176 | -66.5 | -125.6 | -2.6 | 112.5 | Q110 | R108-Q110 PolarHBondContact O-N 3.33Š|
| 109 | V | 42.3 | Very low | 47.7 | Very low | 136 Ų | 136 | 150.6 Ų | 150.6 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | | | trans | -52.3 | 125.6 | 167.5 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 110 | Q | 40.4 | Very low | 46.4 | Very low | 187 Ų | 187 | 150 Ų | 150 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -153.9 | 141.4 | 147.6 | -115.4 | -176.8 | 56.8 | 0 | 0 | 110.7 | R108 | R108-Q110 PolarHBondContact O-N 3.33Š|
| 111 | A | 41.5 | Very low | 45.4 | Very low | 87 Ų | 87 | 145.9 Ų | 145.9 | 72% | 0.719 | 81% | 0.807 | S | S | * | * | | | trans | -92.9 | 167.4 | -167 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 112 | Q | 43.2 | Very low | 44.2 | Very low | 185 Ų | 185 | 144.4 Ų | 144.4 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | | | trans | 71.4 | 141.2 | 168.9 | -99.9 | -179.6 | -8.2 | 0 | 0 | 115.1 | | |
| 113 | E | 35.3 | Very low | 43.2 | Very low | 159 Ų | 159 | 148.9 Ų | 148.9 | 74% | 0.743 | 83% | 0.825 | S | S | * | * | | | cis | -168.8 | 151.2 | 28.7 | 173.5 | -177.6 | 146.4 | 0 | 0 | 108.9 | | |
| 114 | N | 36.8 | Very low | 41.6 | Very low | 148 Ų | 148 | 145.3 Ų | 145.3 | 79% | 0.791 | 82% | 0.824 | S | S | * | * | | | trans | -15.4 | 142.4 | 167.7 | -55 | -51 | 0 | 0 | 0 | 120.4 | | |
| 115 | A | 33 | Very low | 40.6 | Very low | 98 Ų | 98 | 149.8 Ų | 149.8 | 81% | 0.81 | 83% | 0.831 | S | S | * | * | | | | 176.5 | 142.9 | 113.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 116 | H | 36.6 | Very low | 39.4 | Very low | 201 Ų | 201 | 149.5 Ų | 149.5 | 93% | 0.931 | 83% | 0.832 | S | S | * | * | | | trans | -51.7 | 153.2 | 175.6 | -69.3 | -97 | 0 | 0 | 0 | 115.8 | | |
| 117 | G | 30.5 | Very low | 39 | Very low | 73 Ų | 73 | 149 Ų | 149 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | | | trans | 143.9 | 93.2 | 143.7 | 0 | 0 | 0 | 0 | 0 | 116 | S119 | G117-S119 PolarHBondContact O-N 2.97Š|
| 118 | L | 40.4 | Very low | 38.7 | Very low | 186 Ų | 186 | 148.5 Ų | 148.5 | 97% | 0.974 | 83% | 0.826 | S | S | * | * | | | trans | -61.3 | 126.5 | 151.5 | -73.4 | 161.9 | 0 | 0 | 0 | 108.3 | | |
| 119 | S | 37.5 | Very low | 38.3 | Very low | 113 Ų | 113 | 145 Ų | 145 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | | | trans | -140.8 | 105.4 | 162.4 | -169.9 | 0 | 0 | 0 | 0 | 110 | G117 | G117-S119 PolarHBondContact O-N 2.97Š|
| 120 | S | 37.3 | Very low | 38.9 | Very low | 112 Ų | 112 | 148 Ų | 148 | 78% | 0.783 | 83% | 0.826 | S | S | * | * | | | trans | -51.1 | 138 | 154.4 | 54.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 121 | S | 37.9 | Very low | 39.2 | Very low | 106 Ų | 106 | 147.5 Ų | 147.5 | 74% | 0.741 | 82% | 0.82 | S | S | * | * | | | trans | -162 | 106.8 | 142.1 | -169.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 122 | L | 41.5 | Very low | 39 | Very low | 170 Ų | 170 | 149.6 Ų | 149.6 | 89% | 0.89 | 83% | 0.828 | S | S | * | * | | | trans | -62.7 | 130.9 | 160.8 | -68.3 | 159.5 | 0 | 0 | 0 | 109.3 | | |
| 123 | Q | 36.7 | Very low | 39.3 | Very low | 189 Ų | 189 | 149.2 Ų | 149.2 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | | | trans | -164.4 | 104.8 | 154.4 | -119.7 | -178.2 | -13.2 | 0 | 0 | 111.7 | | |
| 124 | S | 34.5 | Very low | 39.8 | Very low | 119 Ų | 119 | 147.3 Ų | 147.3 | 83% | 0.832 | 83% | 0.828 | S | S | * | * | | | trans | -156.4 | 91.4 | 146.8 | 50.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 125 | N | 37.1 | Very low | 40 | Very low | 167 Ų | 167 | 147.8 Ų | 147.8 | 89% | 0.893 | 83% | 0.831 | S | S | * | * | | | trans | -114.5 | 119.8 | 160.4 | -78.3 | -38 | 0 | 0 | 0 | 106.7 | | |
| 126 | E | 34.7 | Very low | 40.9 | Very low | 184 Ų | 184 | 150.9 Ų | 150.9 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | | | trans | -152.5 | 106.9 | 146.4 | -162.8 | 170.3 | 170.6 | 0 | 0 | 109.7 | | |
| 127 | L | 45.9 | Very low | 41.5 | Very low | 155 Ų | 155 | 150.4 Ų | 150.4 | 81% | 0.812 | 83% | 0.83 | S | S | * | * | | | trans | -82.6 | 139.4 | 169.1 | -73.9 | 159.5 | 0 | 0 | 0 | 108.8 | | |
| 128 | V | 42.5 | Very low | 42.7 | Very low | 122 Ų | 122 | 155.7 Ų | 155.7 | 74% | 0.739 | 83% | 0.832 | S | S | * | * | | | trans | -128 | 112.7 | 154.5 | 173.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 129 | D | 37.8 | Very low | 42.7 | Very low | 147 Ų | 147 | 153.2 Ų | 153.2 | 79% | 0.786 | 83% | 0.827 | S | S | * | * | | | trans | -57 | 135.4 | 175.9 | -68.5 | -68.9 | 0 | 0 | 0 | 114 | | |
| 130 | K | 55.6 | Low | 43 | Very low | 201 Ų | 201 | 157.1 Ų | 157.1 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | | | trans | -136.1 | 102.8 | 156.3 | -56.5 | -177.9 | -170.2 | 174.2 | 0 | 109.3 | | |
| 131 | K | 46.7 | Very low | 43.2 | Very low | 175 Ų | 175 | 156.6 Ų | 156.6 | 76% | 0.761 | 83% | 0.826 | S | S | * | * | | | trans | -70 | 125.1 | 176.3 | 174.8 | 178.3 | 177.3 | 178.9 | 0 | 111.1 | | |
| 132 | C | 37.4 | Very low | 43.8 | Very low | 131 Ų | 131 | 160.2 Ų | 160.2 | 89% | 0.885 | 83% | 0.831 | S | S | * | * | | | trans | -131.1 | 122.8 | 153.5 | -84.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 133 | K | 48.6 | Very low | 43.8 | Very low | 178 Ų | 178 | 160.7 Ų | 160.7 | 77% | 0.774 | 83% | 0.829 | S | S | * | * | | | trans | -78.7 | 141.2 | 171.1 | -66.1 | -168.5 | 170.1 | -167.3 | 0 | 109 | | |
| 134 | S | 47 | Very low | 44.6 | Very low | 118 Ų | 118 | 162.7 Ų | 162.7 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | | | trans | -147.8 | 129.2 | 155.2 | 53.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 135 | D | 41.1 | Very low | 45.5 | Very low | 158 Ų | 158 | 162.2 Ų | 162.2 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | | | trans | -65.2 | 161.5 | -174.3 | -75.4 | -72 | 0 | 0 | 0 | 114.4 | | |
| 136 | I | 51.7 | Low | 46.2 | Very low | 164 Ų | 164 | 157.2 Ų | 157.2 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | | | trans | -61.9 | 127.5 | -179.7 | -66.4 | 153.4 | 0 | 0 | 0 | 111.7 | | |
| 137 | E | 48 | Very low | 47.2 | Very low | 191 Ų | 191 | 154.7 Ų | 154.7 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | | | trans | -148.1 | 147.2 | 146.3 | -130.3 | 176.6 | 175.3 | 0 | 0 | 112.2 | | |
| 138 | K | 56 | Low | 48 | Very low | 184 Ų | 184 | 155.1 Ų | 155.1 | 80% | 0.8 | 81% | 0.812 | S | S | * | * | | | trans | -66 | 155.3 | -160.4 | -63.3 | 157.3 | 177.4 | 167.5 | 0 | 114.7 | K140 | K138-K140 PolarHBondContact O-N 2.98Š|
| 139 | P | 41.3 | Very low | 48.9 | Very low | 133 Ų | 133 | 159.8 Ų | 159.8 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | | | trans | -86.4 | 111.4 | 163.7 | 33.1 | -28.1 | 0 | 0 | 0 | 110.5 | | |
| 140 | K | 43.8 | Very low | 49.9 | Very low | 196 Ų | 196 | 161.8 Ų | 161.8 | 85% | 0.852 | 82% | 0.821 | S | S | * | * | | | trans | -146.7 | 109.2 | 156.1 | -80.8 | -166.4 | 178.5 | -174.7 | 0 | 108.6 | K138 | K138-K140 PolarHBondContact O-N 2.98Š|
| 141 | S | 41.1 | Very low | 50.4 | Low | 101 Ų | 101 | 157 Ų | 157 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | | | | 167.1 | 112.8 | 120.9 | 55.1 | 0 | 0 | 0 | 0 | 108.7 | E143 | S141-E143 PolarHBondContact O-N 2.9Š|
| 142 | E | 50.1 | Low | 50.8 | Low | 181 Ų | 181 | 156.3 Ų | 156.3 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | | | trans | -22.4 | 112.2 | 145.3 | -174.2 | 176.2 | -177.6 | 0 | 0 | 113.4 | | |
| 143 | E | 43.2 | Very low | 52.3 | Low | 180 Ų | 180 | 157.2 Ų | 157.2 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | | | trans | -128.9 | 95.7 | 158.1 | -76.3 | -171.8 | 143.9 | 0 | 0 | 107.4 | S141 S145 | S141-E143 PolarHBondContact O-N 2.9Å; E143-S145 PolarHBondContact O-N 3.37Å |
| 144 | R | 52.7 | Low | 52.9 | Low | 231 Ų | 231 | 154.7 Ų | 154.7 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | | | trans | -57.4 | 101.7 | 173.6 | -174.1 | 174.3 | 178.5 | 159.8 | -1.5 | 108 | G146 | R144-G146 PolarHBondContact O-N 3.42Š|
| 145 | S | 53.1 | Low | 53.4 | Low | 109 Ų | 109 | 157 Ų | 157 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | | | trans | -54.6 | 109.7 | 168.9 | 177.8 | 0 | 0 | 0 | 0 | 108.3 | E143 V147 | E143-S145 PolarHBondContact O-N 3.37Å; S145-V147 PolarHBondContact O-N 3.48Å; S145-V147 VanDerWaalsContact O-N 3.15Å |
| 146 | G | 52 | Low | 54.1 | Low | 62 Ų | 62 | 155.6 Ų | 155.6 | 64% | 0.639 | 79% | 0.792 | S | S | * | * | | | trans | -69.6 | 106.7 | 180 | 0 | 0 | 0 | 0 | 0 | 109.7 | R144 I148 | R144-G146 PolarHBondContact O-N 3.42Å; G146-I148 PolarHBondContact O-N 3.28Å; G146-I148 VanDerWaalsContact O-N 3.16Å |
| 147 | V | 54.7 | Low | 54.2 | Low | 132 Ų | 132 | 152.2 Ų | 152.2 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | | | trans | -68.8 | 108.5 | 166.8 | -179 | 0 | 0 | 0 | 0 | 107 | S145 R149 | S145-V147 PolarHBondContact O-N 3.48Å; S145-V147 VanDerWaalsContact O-N 3.15Å; V147-R149 PolarHBondContact O-N 3.18Å; V147-R149 VanDerWaalsContact O-N 3.16Å |
| 148 | I | 62.8 | Low | 54.7 | Low | 164 Ų | 164 | 149 Ų | 149 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | | | trans | -67.3 | 112.4 | 171.7 | -63.7 | 164.8 | 0 | 0 | 0 | 106.4 | G146 | G146-I148 PolarHBondContact O-N 3.28Å; G146-I148 VanDerWaalsContact O-N 3.16Å |
| 149 | R | 61.3 | Low | 54.7 | Low | 219 Ų | 219 | 145.3 Ų | 145.3 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | | | trans | -93.5 | 102.8 | 176.2 | -154.7 | 176.6 | -165.2 | -121.9 | 4.6 | 107.6 | V147 V151 | V147-R149 PolarHBondContact O-N 3.18Å; V147-R149 VanDerWaalsContact O-N 3.16Å; R149-V151 PolarHBondContact O-N 2.85Å |
| 150 | E | 59.8 | Low | 55.6 | Low | 190 Ų | 190 | 146.6 Ų | 146.6 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | | | trans | -71.5 | 114.7 | 172.1 | -167.3 | 166.5 | -162.9 | 0 | 0 | 108.2 | | |
| 151 | V | 66.1 | Low | 55.9 | Low | 101 Ų | 101 | 145.1 Ų | 145.1 | 61% | 0.612 | 77% | 0.77 | S | S | * | * | | | trans | -101.9 | 111 | 179.2 | 177.2 | 0 | 0 | 0 | 0 | 107.4 | R149 I153 | R149-V151 PolarHBondContact O-N 2.85Å; V151-I153 HydrophobicContact CG1-CG1 4.29Å; V151-I153 PolarHBondContact O-N 2.99Å |
| 152 | M | 56 | Low | 56.5 | Low | 160 Ų | 160 | 149.4 Ų | 149.4 | 79% | 0.788 | 78% | 0.778 | S | S | * | * | | | trans | -76 | 109.9 | 172.1 | -169.2 | 167.7 | 71.7 | 0 | 0 | 108.7 | I154 | M152-I154 HydrophobicContact CE-CD1 4.11Å; M152-I154 HydrophobicContact CE-CG1 4.3Å; M152-I154 HydrophobicContact CG-CG1 4.42Å |
| 153 | I | 66.9 | Low | 56.3 | Low | 149 Ų | 149 | 149 Ų | 149 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | | | trans | -90.1 | 110.7 | 174.7 | -57.8 | 173.8 | 0 | 0 | 0 | 107 | V151 | V151-I153 HydrophobicContact CG1-CG1 4.29Å; V151-I153 PolarHBondContact O-N 2.99Å |
| 154 | I | 62.1 | Low | 56.8 | Low | 126 Ų | 126 | 146.6 Ų | 146.6 | 65% | 0.646 | 78% | 0.78 | S | S | * | * | | | trans | -91.5 | 105.3 | 174.5 | -48.8 | 173.6 | 0 | 0 | 0 | 107.3 | M152 V156 | M152-I154 HydrophobicContact CE-CD1 4.11Å; M152-I154 HydrophobicContact CE-CG1 4.3Å; M152-I154 HydrophobicContact CG-CG1 4.42Å; I154-V156 HydrophobicContact CG2-CG2 4.4Å; I154-V156 PolarHBondContact O-N 3Å |
| 155 | E | 58.5 | Low | 56.5 | Low | 166 Ų | 166 | 141 Ų | 141 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | -80.3 | 103.9 | 171.7 | -174.4 | 175.8 | -175 | 0 | 0 | 108.8 | S157 | E155-S157 PolarHBondContact O-N 3.12Å; E155-S157 VanDerWaalsContact O-N 3.1Å |
| 156 | V | 54.6 | Low | 56.7 | Low | 128 Ų | 128 | 144 Ų | 144 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | | | trans | -81.3 | 87.2 | 173.7 | -174.4 | 0 | 0 | 0 | 0 | 108.1 | I154 S158 | I154-V156 HydrophobicContact CG2-CG2 4.4Å; I154-V156 PolarHBondContact O-N 3Å; V156-S158 PolarHBondContact O-N 3.25Å |
| 157 | S | 53.8 | Low | 56.7 | Low | 94 Ų | 94 | 146.7 Ų | 146.7 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | | | trans | -78 | 110.4 | 164.7 | -80.8 | 0 | 0 | 0 | 0 | 109 | E155 S159 | E155-S157 PolarHBondContact O-N 3.12Å; E155-S157 VanDerWaalsContact O-N 3.1Å; S157-S159 PolarHBondContact O-N 3.21Å |
| 158 | S | 57.8 | Low | 56.9 | Low | 122 Ų | 122 | 148.3 Ų | 148.3 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | trans | -78.3 | 99.1 | 170.2 | -163.7 | 0 | 0 | 0 | 0 | 108.3 | V156 | V156-S158 PolarHBondContact O-N 3.25Š|
| 159 | S | 56.5 | Low | 56.9 | Low | 107 Ų | 107 | 143.1 Ų | 143.1 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | trans | -101.3 | 102.9 | 164.3 | -163 | 0 | 0 | 0 | 0 | 107.5 | S157 | S157-S159 PolarHBondContact O-N 3.21Š|
| 160 | E | 60.1 | Low | 57.1 | Low | 160 Ų | 160 | 139.4 Ų | 139.4 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | trans | -56 | 136.6 | 147 | 167.9 | 157.7 | 63.2 | 0 | 0 | 106.9 | | |
| 161 | E | 50.4 | Low | 57.8 | Low | 166 Ų | 166 | 136.4 Ų | 136.4 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | trans | 165.9 | 135.3 | 150.8 | -69 | -27.8 | 115.2 | 0 | 0 | 107.4 | | |
| 162 | E | 54.9 | Low | 58.1 | Low | 190 Ų | 190 | 134.9 Ų | 134.9 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | | | trans | -70.3 | 154.2 | -168.6 | -56.9 | -103.5 | 114.4 | 0 | 0 | 114.9 | | |
| 163 | E | 45.2 | Very low | 59.1 | Low | 174 Ų | 174 | 132.2 Ų | 132.2 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | | | trans | 134.3 | 102 | 152.3 | -165.8 | 171.3 | 174.8 | 0 | 0 | 113.2 | T165 | E163-T165 PolarHBondContact O-N 3.38Å; E163-T165 VanDerWaalsContact O-N 3.16Å |
| 164 | S | 52.9 | Low | 59.4 | Low | 129 Ų | 129 | 130.2 Ų | 130.2 | 90% | 0.902 | 73% | 0.734 | S | S | * | * | | | trans | -67.5 | 104.5 | 173.5 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 165 | T | 46.1 | Very low | 60.1 | Low | 112 Ų | 112 | 135.9 Ų | 135.9 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | | | trans | -115.1 | 120.1 | 159.8 | 52.3 | 0 | 0 | 0 | 0 | 108.5 | E163 S167 | E163-T165 PolarHBondContact O-N 3.38Å; E163-T165 VanDerWaalsContact O-N 3.16Å; T165-S167 PolarHBondContact O-N 3.05Å; T165-S167 VanDerWaalsContact O-N 3.08Å |
| 166 | I | 58.8 | Low | 60.8 | Low | 174 Ų | 174 | 133.4 Ų | 133.4 | 89% | 0.892 | 74% | 0.737 | S | S | * | * | | | trans | -40.5 | 111.4 | 174.6 | 44.3 | 164 | 0 | 0 | 0 | 110.9 | E168 | I166-E168 PolarHBondContact O-N 3.06Š|
| 167 | S | 51.8 | Low | 61.6 | Low | 118 Ų | 118 | 132.8 Ų | 132.8 | 83% | 0.825 | 73% | 0.729 | S | S | * | * | | | trans | -74.9 | 112.7 | 175.7 | -173.7 | 0 | 0 | 0 | 0 | 108.6 | T165 G169 | T165-S167 PolarHBondContact O-N 3.05Å; T165-S167 VanDerWaalsContact O-N 3.08Å; S167-G169 VanDerWaalsContact C-N 3.34Å; S167-G169 PolarHBondContact O-N 3.47Å |
| 168 | E | 58.5 | Low | 62.6 | Low | 165 Ų | 165 | 136.2 Ų | 136.2 | 77% | 0.771 | 74% | 0.739 | S | S | * | * | | | trans | -66.8 | 85.5 | 175.7 | -165.6 | 168.2 | 148.2 | 0 | 0 | 109.9 | I166 | I166-E168 PolarHBondContact O-N 3.06Š|
| 169 | G | 62.4 | Low | 63.1 | Low | 55 Ų | 55 | 134.1 Ų | 134.1 | 57% | 0.567 | 74% | 0.737 | S | S | * | * | | | trans | -94.9 | 79.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110 | S167 N171 | S167-G169 VanDerWaalsContact C-N 3.34Å; S167-G169 PolarHBondContact O-N 3.47Å; G169-N171 PolarHBondContact O-N 2.78Å |
| 170 | D | 66.1 | Low | 63.2 | Low | 141 Ų | 141 | 135.1 Ų | 135.1 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | | | trans | -74.5 | 29 | -168 | -110.5 | 19.8 | 0 | 0 | 0 | 116.1 | | |
| 171 | N | 73.9 | Confident | 63.5 | Low | 127 Ų | 127 | 135.4 Ų | 135.4 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | | | trans | -145.3 | 74.3 | 169.5 | -172 | 66.6 | 0 | 0 | 0 | 111.3 | G169 | G169-N171 PolarHBondContact O-N 2.78Š|
| 172 | V | 72.7 | Confident | 64.3 | Low | 69 Ų | 69 | 133.4 Ų | 133.4 | 42% | 0.418 | 74% | 0.743 | S | S | . | * | | | trans | -108 | 121.2 | 162.6 | -64.1 | 0 | 0 | 0 | 0 | 107.3 | M176 L177 | V172-M176 HydrophobicContact CB-CB 4.16Å; V172-M176 HydrophobicContact CB-CE 3.95Å; V172-M176 HydrophobicContact CB-SD 4.31Å; V172-M176 HydrophobicContact CG1-CE 3.62Å; V172-L177 HydrophobicContact CG2-CD1 4.45Å; V172-L177 HydrophobicContact CG2-CD2 4.31Å; V172-L177 HydrophobicContact CG2-CG 4.17Å |
| 173 | E | 77.9 | Confident | 64.9 | Low | 105 Ų | 105 | 128.6 Ų | 128.6 | 49% | 0.491 | 72% | 0.723 | S | S | . | * | | | trans | -57.9 | 144.7 | 175.8 | -66.2 | 74 | -163.5 | 0 | 0 | 108.8 | W175 M176 | E173-W175 PolarHBondContact O-N 2.81Å; E173-M176 WeakPolarHBondContact O-CB 3.43Å; E173-M176 PolarHBondContact O-N 3.3Å; E173-M176 VanDerWaalsContact OE2-SD 3.42Å |
| 174 | S | 73.1 | Confident | 65.9 | Low | 106 Ų | 106 | 126.3 Ų | 126.3 | 74% | 0.741 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | -15.3 | -173.6 | -57.8 | 0 | 0 | 0 | 0 | 114.9 | M176 | S174-M176 VanDerWaalsContact C-N 3.35Š|
| 175 | W | 75.9 | Confident | 66.7 | Low | 246 Ų | 246 | 127.8 Ų | 127.8 | 93% | 0.932 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -16.7 | 173.4 | -63.9 | 90.5 | 0 | 0 | 0 | 114.2 | E173 | E173-W175 PolarHBondContact O-N 2.81Š|
| 176 | M | 73.4 | Confident | 67.8 | Low | 113 Ų | 113 | 127.1 Ų | 127.1 | 56% | 0.557 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -87.8 | -13.1 | 178.5 | -73.6 | 176.8 | 51.3 | 0 | 0 | 113.5 | V172 E173 S174 L178 | V172-M176 HydrophobicContact CB-CB 4.16Å; V172-M176 HydrophobicContact CB-CE 3.95Å; V172-M176 HydrophobicContact CB-SD 4.31Å; V172-M176 HydrophobicContact CG1-CE 3.62Å; E173-M176 WeakPolarHBondContact O-CB 3.43Å; E173-M176 PolarHBondContact O-N 3.3Å; E173-M176 VanDerWaalsContact OE2-SD 3.42Å; S174-M176 VanDerWaalsContact C-N 3.35Å; M176-L178 VanDerWaalsContact C-N 3.31Å; M176-L178 PolarHBondContact O-N 3.47Å |
| 177 | L | 72.1 | Confident | 68.4 | Low | 116 Ų | 116 | 126.3 Ų | 126.3 | 61% | 0.607 | 70% | 0.696 | S | S | * | * | | | trans | -83.3 | 76.1 | 176.6 | -72.7 | 161.4 | 0 | 0 | 0 | 109.8 | V172 G179 | V172-L177 HydrophobicContact CG2-CD1 4.45Å; V172-L177 HydrophobicContact CG2-CD2 4.31Å; V172-L177 HydrophobicContact CG2-CG 4.17Å; L177-G179 PolarHBondContact O-N 3.01Å |
| 178 | L | 74.4 | Confident | 69.5 | Low | 165 Ų | 165 | 127.1 Ų | 127.1 | 86% | 0.864 | 69% | 0.691 | S | S | * | * | | | trans | -77.2 | 111.3 | 172.4 | -76.2 | 149.4 | 0 | 0 | 0 | 109.6 | M176 | M176-L178 VanDerWaalsContact C-N 3.31Å; M176-L178 PolarHBondContact O-N 3.47Å |
| 179 | G | 67.1 | Low | 70.3 | Confident | 79 Ų | 79 | 124.3 Ų | 124.3 | 81% | 0.814 | 68% | 0.68 | S | S | * | * | | | trans | 84 | 63.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | L177 | L177-G179 PolarHBondContact O-N 3.01Š|
| 180 | C | 60 | Low | 71 | Confident | 127 Ų | 127 | 130 Ų | 130 | 86% | 0.858 | 70% | 0.697 | S | S | * | * | | | trans | -127.2 | 41.8 | 164.9 | -160.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 181 | E | 66.5 | Low | 71.6 | Confident | 166 Ų | 166 | 128.5 Ų | 128.5 | 78% | 0.776 | 69% | 0.688 | S | S | * | * | | | trans | -122.5 | 115.7 | 159.1 | -165.9 | 155 | -160.4 | 0 | 0 | 106.3 | D183 | E181-D183 HydrophobicContact CG-CB 4.49Å; E181-D183 PolarHBondContact O-N 3.15Å |
| 182 | V | 66.9 | Low | 71.4 | Confident | 125 Ų | 125 | 129.6 Ų | 129.6 | 76% | 0.758 | 69% | 0.694 | S | S | * | * | | | trans | -72.5 | 93.3 | 161.6 | 175.9 | 0 | 0 | 0 | 0 | 103.3 | D184 | V182-D184 WeakPolarHBondContact CG1-OD1 3.45Å; V182-D184 PolarHBondContact O-N 3Å; V182-D184 VanDerWaalsContact O-OD1 3.07Å |
| 183 | D | 66.3 | Low | 71.4 | Confident | 89 Ų | 89 | 131 Ų | 131 | 48% | 0.476 | 70% | 0.699 | S | S | . | * | | | trans | -92.7 | 87.9 | 171.7 | -165.4 | 15.7 | 0 | 0 | 0 | 107.7 | E181 K185 | E181-D183 HydrophobicContact CG-CB 4.49Å; E181-D183 PolarHBondContact O-N 3.15Å; D183-K185 PolarHBondContact O-N 3.16Å; D183-K185 WeakPolarHBondContact OD1-CB 3.4Å |
| 184 | D | 67 | Low | 70.9 | Confident | 126 Ų | 126 | 132.3 Ų | 132.3 | 67% | 0.674 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 31.4 | 172.7 | 38.9 | -51.4 | 0 | 0 | 0 | 111.9 | V182 | V182-D184 WeakPolarHBondContact CG1-OD1 3.45Å; V182-D184 PolarHBondContact O-N 3Å; V182-D184 VanDerWaalsContact O-OD1 3.07Å |
| 185 | K | 68.7 | Low | 70.4 | Confident | 160 Ų | 160 | 131 Ų | 131 | 70% | 0.696 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.3 | 14.3 | -170.5 | -88.8 | -164.3 | 168 | -174.5 | 0 | 118.5 | D183 D187 | D183-K185 PolarHBondContact O-N 3.16Å; D183-K185 WeakPolarHBondContact OD1-CB 3.4Å; K185-D187 PolarHBondContact O-N 3.32Å; K185-D187 VanDerWaalsContact O-N 3.12Å |
| 186 | D | 70.8 | Confident | 69.6 | Low | 98 Ų | 98 | 123 Ų | 123 | 52% | 0.524 | 70% | 0.697 | S | S | . | * | | | trans | -86.6 | 46.8 | 170.9 | -71.9 | -27.3 | 0 | 0 | 0 | 112.9 | I189 | D186-I189 HydrophobicContact CB-CG2 4.39Š|
| 187 | D | 71.6 | Confident | 69 | Low | 157 Ų | 157 | 126.7 Ų | 126.7 | 84% | 0.84 | 71% | 0.714 | S | S | * | * | | | trans | -86.2 | -10.8 | 178.5 | -74.4 | -29.2 | 0 | 0 | 0 | 113.2 | K185 | K185-D187 PolarHBondContact O-N 3.32Å; K185-D187 VanDerWaalsContact O-N 3.12Å |
| 188 | D | 73.8 | Confident | 68.3 | Low | 134 Ų | 134 | 128.1 Ų | 128.1 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | | | trans | -105.5 | 10.4 | -176.2 | 66.4 | -35 | 0 | 0 | 0 | 114.1 | L190 | D188-L190 PolarHBondContact O-N 2.96Š|
| 189 | I | 75 | Confident | 67.6 | Low | 106 Ų | 106 | 125.6 Ų | 125.6 | 54% | 0.544 | 72% | 0.718 | S | S | . | * | | | trans | -66.9 | 96.9 | 171.8 | 60.1 | 167.5 | 0 | 0 | 0 | 110.6 | D186 L191 | D186-I189 HydrophobicContact CB-CG2 4.39Å; I189-L191 PolarHBondContact O-N 3.16Å |
| 190 | L | 77.9 | Confident | 67.2 | Low | 174 Ų | 174 | 127.8 Ų | 127.8 | 91% | 0.911 | 72% | 0.715 | S | S | * | * | | | trans | -74.8 | 94.4 | 176.7 | -173.1 | 68.7 | 0 | 0 | 0 | 110.1 | D188 | D188-L190 PolarHBondContact O-N 2.96Š|
| 191 | L | 78.4 | Confident | 67 | Low | 111 Ų | 111 | 127.3 Ų | 127.3 | 58% | 0.581 | 71% | 0.708 | S | S | * | * | | | trans | -81.6 | 134.1 | 172.9 | -56.2 | 178.2 | 0 | 0 | 0 | 110.2 | I189 L193 | I189-L191 PolarHBondContact O-N 3.16Å; L191-L193 HydrophobicContact CB-CD1 3.2Å; L191-L193 HydrophobicContact CD1-CD1 3.79Å; L191-L193 HydrophobicContact CG-CD1 4.14Å; L191-L193 PolarHBondContact O-N 3.33Å |
| 192 | N | 70.7 | Confident | 66.4 | Low | 149 Ų | 149 | 128.1 Ų | 128.1 | 80% | 0.797 | 71% | 0.712 | S | S | * | * | | | trans | -77.2 | 58.7 | 176.3 | -170.5 | 24.5 | 0 | 0 | 0 | 111.7 | V194 | N192-V194 PolarHBondContact O-N 2.92Å; N192-V194 WeakPolarHBondContact OD1-CG2 3.44Å |
| 193 | L | 71.1 | Confident | 65.4 | Low | 99 Ų | 99 | 126.2 Ų | 126.2 | 52% | 0.518 | 72% | 0.718 | S | S | . | * | | | trans | -80.8 | 65.2 | 176.6 | -86.9 | 83.1 | 0 | 0 | 0 | 111.1 | L191 G195 C196 | L191-L193 HydrophobicContact CB-CD1 3.2Å; L191-L193 HydrophobicContact CD1-CD1 3.79Å; L191-L193 HydrophobicContact CG-CD1 4.14Å; L191-L193 PolarHBondContact O-N 3.33Å; L193-G195 PolarHBondContact O-N 3.1Å; L193-C196 HydrophobicContact CB-CB 4.23Å; L193-C196 HydrophobicContact CD2-CB 3.78Å; L193-C196 PolarHBondContact O-N 3.41Å |
| 194 | V | 67.2 | Low | 64.2 | Low | 132 Ų | 132 | 131 Ų | 131 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | 102.4 | 167.7 | 171.9 | 0 | 0 | 0 | 0 | 108.5 | N192 | N192-V194 PolarHBondContact O-N 2.92Å; N192-V194 WeakPolarHBondContact OD1-CG2 3.44Å |
| 195 | G | 63.4 | Low | 62.9 | Low | 79 Ų | 79 | 137.9 Ų | 137.9 | 81% | 0.814 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 117.2 | 2.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | L193 | L193-G195 PolarHBondContact O-N 3.1Š|
| 196 | C | 58.3 | Low | 62.6 | Low | 77 Ų | 77 | 136.8 Ų | 136.8 | 52% | 0.52 | 77% | 0.769 | S | S | . | * | | | trans | -101.6 | 115.7 | 169.8 | -68.7 | 0 | 0 | 0 | 0 | 110 | L193 N198 | L193-C196 HydrophobicContact CB-CB 4.23Å; L193-C196 HydrophobicContact CD2-CB 3.78Å; L193-C196 PolarHBondContact O-N 3.41Å; C196-N198 PolarHBondContact O-N 3.25Å; C196-N198 PolarHBondContact O-OD1 3.36Å |
| 197 | E | 61.8 | Low | 62.2 | Low | 192 Ų | 192 | 138.8 Ų | 138.8 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | | | trans | -64.6 | 120.2 | 171.9 | 56.2 | -167.9 | 171.1 | 0 | 0 | 110.3 | S199 | E197-S199 PolarHBondContact O-N 3.08Š|
| 198 | N | 57.9 | Low | 61.7 | Low | 145 Ų | 145 | 137.8 Ų | 137.8 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | | | trans | -74.2 | 116 | 177.6 | -62.3 | 16.9 | 0 | 0 | 0 | 108.9 | C196 V200 | C196-N198 PolarHBondContact O-N 3.25Å; C196-N198 PolarHBondContact O-OD1 3.36Å; N198-V200 VanDerWaalsContact C-N 3.29Å; N198-V200 PolarHBondContact O-N 3.3Å |
| 199 | S | 58.5 | Low | 61 | Low | 112 Ų | 112 | 138.1 Ų | 138.1 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | | | trans | -74 | 87.6 | 164.5 | 59 | 0 | 0 | 0 | 0 | 109.3 | E197 T201 | E197-S199 PolarHBondContact O-N 3.08Å; S199-T201 PolarHBondContact O-N 3.16Å |
| 200 | V | 60 | Low | 60.1 | Low | 125 Ų | 125 | 140.1 Ų | 140.1 | 76% | 0.758 | 80% | 0.797 | S | S | * | * | | | trans | -72.7 | 110.4 | 159.8 | 162.5 | 0 | 0 | 0 | 0 | 107.6 | N198 | N198-V200 VanDerWaalsContact C-N 3.29Å; N198-V200 PolarHBondContact O-N 3.3Å |
| 201 | T | 55.1 | Low | 58.9 | Low | 117 Ų | 117 | 137.8 Ų | 137.8 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | | | trans | -138.5 | 95.8 | 159.6 | 56.7 | 0 | 0 | 0 | 0 | 106.6 | S199 | S199-T201 PolarHBondContact O-N 3.16Š|
| 202 | E | 53.7 | Low | 57.5 | Low | 184 Ų | 184 | 139.7 Ų | 139.7 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | | | | 66.3 | 101.9 | 101.9 | -70.9 | -171.1 | -176.1 | 0 | 0 | 113.4 | | |
| 203 | G | 46.5 | Very low | 56.5 | Low | 85 Ų | 85 | 139 Ų | 139 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | | | trans | -134.1 | 84 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 204 | Q | 41.7 | Very low | 55.3 | Low | 189 Ų | 189 | 142.3 Ų | 142.3 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | | | trans | -91.1 | 115.9 | 173.2 | -173.3 | 179.1 | 0.9 | 0 | 0 | 107.9 | | |
| 205 | E | 39.5 | Very low | 54.2 | Low | 271 Ų | 271 | 143.3 Ų | 143.3 | 100% | 1.266 | 83% | 0.832 | S | S | * | * | | | trans | -153.3 | 0 | 150.5 | -120.5 | -176.4 | 176.5 | 0 | 0 | 111.2 | | |