| 1 | M | 53.5 | Low | 64.9 | Low | 231 Ų | 231 | 149.1 Ų | 149.1 | 100% | 1.138 | 77% | 0.766 | S | S | * | * | | | | 0 | 106.7 | 0 | -74.4 | -67 | 169 | 0 | 0 | 107.6 | | |
| 2 | P | 55.8 | Low | 66.1 | Low | 97 Ų | 97 | 146.6 Ų | 146.6 | 63% | 0.63 | 77% | 0.767 | S | S | * | * | | | trans | -75.4 | 127.3 | 179.1 | 30.9 | -28.9 | 0 | 0 | 0 | 109.1 | Y4 | P2-Y4 HydrophobicContact CG-CE2 4.04Å; P2-Y4 PolarHBondContact O-N 3.06Å |
| 3 | L | 57.6 | Low | 67.2 | Low | 176 Ų | 176 | 147.2 Ų | 147.2 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | | | trans | -77.3 | 105 | 172.5 | -75.3 | 163.8 | 0 | 0 | 0 | 108 | N5 | L3-N5 PolarHBondContact O-N 2.97Š|
| 4 | Y | 57.5 | Low | 68 | Low | 199 Ų | 199 | 145.4 Ų | 145.4 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | | | trans | -68.9 | 119.3 | 170.7 | -70.1 | -86.8 | 0 | 0 | 0 | 108.9 | P2 T6 | P2-Y4 HydrophobicContact CG-CE2 4.04Å; P2-Y4 PolarHBondContact O-N 3.06Å; Y4-T6 PolarHBondContact O-N 3.37Å; Y4-T6 VanDerWaalsContact O-N 3.12Å |
| 5 | N | 60.6 | Low | 68.5 | Low | 144 Ų | 144 | 142.2 Ų | 142.2 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | | | trans | -71.1 | 103.3 | 173.9 | -169 | 10 | 0 | 0 | 0 | 108.6 | L3 V7 | L3-N5 PolarHBondContact O-N 2.97Å; N5-V7 PolarHBondContact O-N 2.84Å |
| 6 | T | 62.6 | Low | 69.1 | Low | 115 Ų | 115 | 141.1 Ų | 141.1 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | | | trans | -75.1 | 92.2 | 171.5 | 52.5 | 0 | 0 | 0 | 0 | 108.1 | Y4 L8 | Y4-T6 PolarHBondContact O-N 3.37Å; Y4-T6 VanDerWaalsContact O-N 3.12Å; T6-L8 PolarHBondContact O-N 3.39Å |
| 7 | V | 68.8 | Low | 69.1 | Low | 124 Ų | 124 | 143.1 Ų | 143.1 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | | | trans | -61.4 | 106.9 | 168.3 | 179.7 | 0 | 0 | 0 | 0 | 107 | N5 Y9 | N5-V7 PolarHBondContact O-N 2.84Å; V7-Y9 PolarHBondContact O-N 3.3Å; V7-Y9 VanDerWaalsContact O-N 3.12Å |
| 8 | L | 70.8 | Confident | 69.1 | Low | 149 Ų | 149 | 143.3 Ų | 143.3 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | | | trans | -67.2 | 106.9 | 172.5 | -74.6 | 164.9 | 0 | 0 | 0 | 107.7 | T6 I10 | T6-L8 PolarHBondContact O-N 3.39Å; L8-I10 PolarHBondContact O-N 3Å |
| 9 | Y | 73.1 | Confident | 68.5 | Low | 192 Ų | 192 | 140.8 Ų | 140.8 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | | | trans | -68.9 | 110.2 | 168.2 | -179.9 | -97.6 | 0 | 0 | 0 | 108.4 | V7 P11 | V7-Y9 PolarHBondContact O-N 3.3Å; V7-Y9 VanDerWaalsContact O-N 3.12Å; Y9-P11 HydrophobicContact CE1-CB 3.93Å |
| 10 | I | 75.8 | Confident | 67.6 | Low | 136 Ų | 136 | 140.4 Ų | 140.4 | 70% | 0.697 | 74% | 0.736 | S | S | * | * | | | trans | -97.9 | 112.8 | 169.3 | -57.2 | 176.7 | 0 | 0 | 0 | 106.5 | L8 | L8-I10 PolarHBondContact O-N 3Š|
| 11 | P | 78.4 | Confident | 67 | Low | 77 Ų | 77 | 142.2 Ų | 142.2 | 50% | 0.5 | 74% | 0.738 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 149.1 | 176 | 22.8 | -29.5 | 0 | 0 | 0 | 110.7 | Y9 I13 | Y9-P11 HydrophobicContact CE1-CB 3.93Å; P11-I13 PolarHBondContact O-N 2.94Å |
| 12 | P | 78.6 | Confident | 67 | Low | 119 Ų | 119 | 136.9 Ų | 136.9 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 127.1 | 177.4 | -17.6 | 29 | 0 | 0 | 0 | 110.5 | | |
| 13 | I | 80 | Confident | 66.8 | Low | 155 Ų | 155 | 137.3 Ų | 137.3 | 80% | 0.795 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -83 | 117.1 | 171 | -58.8 | 172.7 | 0 | 0 | 0 | 106.6 | P11 | P11-I13 PolarHBondContact O-N 2.94Š|
| 14 | E | 78.4 | Confident | 66.5 | Low | 121 Ų | 121 | 133.2 Ų | 133.2 | 57% | 0.565 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 129.2 | 174.3 | -159.7 | 171.9 | -176.9 | 0 | 0 | 109 | R17 | E14-R17 IonicContact OE1-CZ 3.15Å; E14-R17 IonicContact OE1-NE 2.86Å; E14-R17 PolarHBondContact OE1-NE 3.35Å; E14-R17 IonicContact OE1-NH2 2.65Å; E14-R17 PolarHBondContact OE1-NH2 2.92Å |
| 15 | P | 76.6 | Confident | 66.2 | Low | 98 Ų | 98 | 129.3 Ų | 129.3 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 148.2 | 177.4 | 23.8 | -31.4 | 0 | 0 | 0 | 109.9 | R17 | P15-R17 PolarHBondContact O-N 3.49Š|
| 16 | P | 77 | Confident | 65.8 | Low | 124 Ų | 124 | 127.2 Ų | 127.2 | 81% | 0.805 | 70% | 0.699 | S | S | * | * | | | trans | -55.2 | 114.3 | -180 | 20.9 | -30.4 | 0 | 0 | 0 | 109.1 | I18 | P16-I18 PolarHBondContact O-N 3.38Š|
| 17 | R | 70.1 | Confident | 65.4 | Low | 176 Ų | 176 | 129.1 Ų | 129.1 | 66% | 0.664 | 70% | 0.7 | S | S | * | * | | | trans | -69.2 | 117.2 | 172.7 | -64.3 | -170.8 | 179.4 | -169 | 2 | 106.5 | E14 P15 T19 | E14-R17 IonicContact OE1-CZ 3.15Å; E14-R17 IonicContact OE1-NE 2.86Å; E14-R17 PolarHBondContact OE1-NE 3.35Å; E14-R17 IonicContact OE1-NH2 2.65Å; E14-R17 PolarHBondContact OE1-NH2 2.92Å; P15-R17 PolarHBondContact O-N 3.49Å; R17-T19 HydrophobicContact CB-CG2 4.08Å; R17-T19 PolarHBondContact O-N 3.28Å |
| 18 | I | 69.1 | Low | 64.9 | Low | 147 Ų | 147 | 128.8 Ų | 128.8 | 75% | 0.754 | 70% | 0.698 | S | S | * | * | | | trans | -73 | 72.3 | 164.1 | -52 | 169.1 | 0 | 0 | 0 | 105.7 | P16 F21 | P16-I18 PolarHBondContact O-N 3.38Å; I18-F21 HydrophobicContact CG2-CD2 4.27Å |
| 19 | T | 56.5 | Low | 64.4 | Low | 95 Ų | 95 | 129.2 Ų | 129.2 | 58% | 0.583 | 70% | 0.701 | S | S | * | * | | | trans | -89.3 | 132.2 | 161.9 | 45.7 | 0 | 0 | 0 | 0 | 105.6 | R17 | R17-T19 HydrophobicContact CB-CG2 4.08Å; R17-T19 PolarHBondContact O-N 3.28Å |
| 20 | D | 51.7 | Low | 64.1 | Low | 133 Ų | 133 | 122.6 Ų | 122.6 | 71% | 0.711 | 68% | 0.679 | S | S | * | * | | | trans | 89.3 | 50.6 | -176.2 | -37.4 | -24.8 | 0 | 0 | 0 | 112.7 | D22 | D20-D22 PolarHBondContact O-N 3.05Š|
| 21 | F | 53.9 | Low | 64.5 | Low | 179 Ų | 179 | 120.9 Ų | 120.9 | 79% | 0.785 | 67% | 0.671 | S | S | * | * | | | trans | -64.9 | 78.2 | 135 | -124.1 | -85.8 | 0 | 0 | 0 | 105.9 | I18 S23 | I18-F21 HydrophobicContact CG2-CD2 4.27Å; F21-S23 PolarHBondContact O-N 3.35Å |
| 22 | D | 53.5 | Low | 64.7 | Low | 118 Ų | 118 | 127.9 Ų | 127.9 | 63% | 0.631 | 69% | 0.687 | S | S | * | * | | | trans | -60.5 | 95.3 | 164.1 | -84.9 | -29.5 | 0 | 0 | 0 | 105.6 | D20 S24 | D20-D22 PolarHBondContact O-N 3.05Å; D22-S24 PolarHBondContact O-N 3.15Å |
| 23 | S | 52.7 | Low | 65 | Low | 106 Ų | 106 | 128.2 Ų | 128.2 | 74% | 0.741 | 68% | 0.68 | S | S | * | * | | | trans | -63.9 | 40.9 | 165.5 | -80.8 | 0 | 0 | 0 | 0 | 110.8 | F21 T25 | F21-S23 PolarHBondContact O-N 3.35Å; S23-T25 VanDerWaalsContact C-N 3.34Å |
| 24 | S | 50.5 | Low | 65.3 | Low | 91 Ų | 91 | 125.7 Ų | 125.7 | 64% | 0.636 | 66% | 0.664 | S | S | * | * | | | trans | -93.6 | 11 | 175.6 | 62.4 | 0 | 0 | 0 | 0 | 112.2 | D22 S26 | D22-S24 PolarHBondContact O-N 3.15Å; S24-S26 PolarHBondContact O-N 3.15Å |
| 25 | T | 51.2 | Low | 65.8 | Low | 116 Ų | 116 | 124.3 Ų | 124.3 | 71% | 0.712 | 66% | 0.659 | S | S | * | * | | | trans | -84.5 | 62.6 | 155.9 | 53.9 | 0 | 0 | 0 | 0 | 109.4 | S23 H27 | S23-T25 VanDerWaalsContact C-N 3.34Å; T25-H27 PolarHBondContact O-N 3.43Å |
| 26 | S | 53.1 | Low | 66.5 | Low | 101 Ų | 101 | 122.1 Ų | 122.1 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | | | trans | -72.7 | 64.9 | 164.9 | 63.8 | 0 | 0 | 0 | 0 | 109.5 | S24 | S24-S26 PolarHBondContact O-N 3.15Š|
| 27 | H | 54.4 | Low | 67.1 | Low | 154 Ų | 154 | 122.4 Ų | 122.4 | 71% | 0.713 | 64% | 0.64 | S | S | * | * | | | trans | -111.4 | 11.9 | 166.5 | -103.2 | -54.1 | 0 | 0 | 0 | 111.9 | T25 N29 | T25-H27 PolarHBondContact O-N 3.43Å; H27-N29 PolarHBondContact O-N 3.11Å; H27-N29 VanDerWaalsContact O-N 3.11Å |
| 28 | T | 56.9 | Low | 68.2 | Low | 117 Ų | 117 | 118.9 Ų | 118.9 | 72% | 0.718 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 8.9 | -172.5 | 49 | 0 | 0 | 0 | 0 | 115.3 | | |
| 29 | N | 61.4 | Low | 69.4 | Low | 159 Ų | 159 | 117.9 Ų | 117.9 | 85% | 0.85 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | 7.4 | -173.5 | -85.2 | -37.7 | 0 | 0 | 0 | 115.8 | H27 | H27-N29 PolarHBondContact O-N 3.11Å; H27-N29 VanDerWaalsContact O-N 3.11Å |
| 30 | D | 67.1 | Low | 71.1 | Confident | 53 Ų | 53 | 116 Ų | 116 | 28% | 0.283 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -121.2 | -20.9 | -174.4 | -163.5 | 23.4 | 0 | 0 | 0 | 114.2 | R32 M33 K34 | D30-R32 PolarHBondContact O-N 3.43Å; D30-M33 PolarHBondContact O-N 3.32Å; D30-M33 WeakPolarHBondContact OD1-CE 3.26Å; D30-K34 WeakPolarHBondContact O-CG 3.35Å; D30-K34 PolarHBondContact O-N 2.91Å; D30-K34 WeakPolarHBondContact OD2-CE 3.32Å; D30-K34 IonicContact OD2-NZ 2.86Å; D30-K34 PolarHBondContact OD2-NZ 3.42Å |
| 31 | D | 82.7 | Confident | 73.1 | Confident | 99 Ų | 99 | 113.3 Ų | 113.3 | 53% | 0.529 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -69 | -36.2 | -175.8 | -63.2 | -21.4 | 0 | 0 | 0 | 112.3 | M33 K34 I35 | D31-M33 VanDerWaalsContact C-N 3.28Å; D31-M33 PolarHBondContact O-N 3.39Å; D31-K34 PolarHBondContact O-N 3.27Å; D31-I35 WeakPolarHBondContact O-CB 3.1Å; D31-I35 WeakPolarHBondContact O-CD1 3.45Å; D31-I35 WeakPolarHBondContact O-CG1 3.43Å; D31-I35 PolarHBondContact O-N 2.88Å |
| 32 | R | 83.2 | Confident | 75 | Confident | 224 Ų | 224 | 110.2 Ų | 110.2 | 85% | 0.845 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.5 | -33.5 | 176 | -66.2 | -171.7 | 71.6 | -173.8 | 2.1 | 112.5 | D30 A36 | D30-R32 PolarHBondContact O-N 3.43Å; R32-A36 WeakPolarHBondContact O-CB 3.24Å; R32-A36 PolarHBondContact O-N 3.16Å; R32-A36 VanDerWaalsContact O-N 3.11Å |
| 33 | M | 84.8 | Confident | 76.8 | Confident | 127 Ų | 127 | 111.5 Ų | 111.5 | 63% | 0.626 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -73.4 | -42.8 | 177.9 | -172.5 | 161.7 | 66.6 | 0 | 0 | 110.8 | D30 D31 I35 A36 E37 | D30-M33 PolarHBondContact O-N 3.32Å; D30-M33 WeakPolarHBondContact OD1-CE 3.26Å; D31-M33 VanDerWaalsContact C-N 3.28Å; D31-M33 PolarHBondContact O-N 3.39Å; M33-I35 VanDerWaalsContact C-N 3.34Å; M33-I35 PolarHBondContact O-N 2.9Å; M33-A36 PolarHBondContact O-N 3.48Å; M33-E37 PolarHBondContact O-N 3.12Å |
| 34 | K | 87.7 | Confident | 78.6 | Confident | 101 Ų | 101 | 112.2 Ų | 112.2 | 44% | 0.439 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.8 | -41.5 | 173 | -71 | 173.2 | -177.4 | 152.8 | 0 | 112.5 | D30 D31 E37 V38 | D30-K34 WeakPolarHBondContact O-CG 3.35Å; D30-K34 PolarHBondContact O-N 2.91Å; D30-K34 WeakPolarHBondContact OD2-CE 3.32Å; D30-K34 IonicContact OD2-NZ 2.86Å; D30-K34 PolarHBondContact OD2-NZ 3.42Å; D31-K34 PolarHBondContact O-N 3.27Å; K34-E37 PolarHBondContact O-N 3.13Å; K34-V38 VanDerWaalsContact O-CG2 3.28Å; K34-V38 WeakPolarHBondContact O-CG2 3.45Å; K34-V38 PolarHBondContact O-N 2.99Å |
| 35 | I | 89 | Confident | 80.6 | Confident | 92 Ų | 92 | 113 Ų | 113 | 47% | 0.472 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.3 | -47.7 | 176.1 | -69.8 | 162.9 | 0 | 0 | 0 | 110 | D31 M33 E37 V38 E39 | D31-I35 WeakPolarHBondContact O-CB 3.1Å; D31-I35 WeakPolarHBondContact O-CD1 3.45Å; D31-I35 WeakPolarHBondContact O-CG1 3.43Å; D31-I35 PolarHBondContact O-N 2.88Å; M33-I35 VanDerWaalsContact C-N 3.34Å; M33-I35 PolarHBondContact O-N 2.9Å; I35-E37 VanDerWaalsContact C-N 3.33Å; I35-E37 PolarHBondContact O-N 3.48Å; I35-V38 PolarHBondContact O-N 3.41Å; I35-E39 HydrophobicContact CG2-CG 4.27Å; I35-E39 WeakPolarHBondContact CG2-OE1 3.47Å; I35-E39 WeakPolarHBondContact O-CB 3.42Å; I35-E39 WeakPolarHBondContact O-CG 3.41Å; I35-E39 PolarHBondContact O-N 3.12Å |
| 36 | A | 89.3 | Confident | 82.5 | Confident | 53 Ų | 53 | 112.2 Ų | 112.2 | 44% | 0.438 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.9 | -37.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | R32 M33 A40 | R32-A36 WeakPolarHBondContact O-CB 3.24Å; R32-A36 PolarHBondContact O-N 3.16Å; R32-A36 VanDerWaalsContact O-N 3.11Å; M33-A36 PolarHBondContact O-N 3.48Å; A36-A40 WeakPolarHBondContact O-CB 3.46Å; A36-A40 PolarHBondContact O-N 2.96Å |
| 37 | E | 91.1 | Very high | 84.1 | Confident | 130 Ų | 130 | 109.6 Ų | 109.6 | 61% | 0.607 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.9 | -44.6 | 174.9 | -174.9 | 178.5 | -176.1 | 0 | 0 | 111.6 | M33 K34 I35 A40 C41 | M33-E37 PolarHBondContact O-N 3.12Å; K34-E37 PolarHBondContact O-N 3.13Å; I35-E37 VanDerWaalsContact C-N 3.33Å; I35-E37 PolarHBondContact O-N 3.48Å; E37-A40 PolarHBondContact O-N 2.97Å; E37-C41 PolarHBondContact O-N 3.34Å; E37-C41 PolarHBondContact O-SG 2.86Å; E37-C41 VanDerWaalsContact O-SG 3.39Å |
| 38 | V | 93.6 | Very high | 85.6 | Confident | 101 Ų | 101 | 106.2 Ų | 106.2 | 61% | 0.612 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.3 | -43.2 | 177.6 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | K34 I35 C41 F42 | K34-V38 VanDerWaalsContact O-CG2 3.28Å; K34-V38 WeakPolarHBondContact O-CG2 3.45Å; K34-V38 PolarHBondContact O-N 2.99Å; I35-V38 PolarHBondContact O-N 3.41Å; V38-C41 PolarHBondContact O-N 2.93Å; V38-F42 WeakPolarHBondContact O-CB 3.33Å; V38-F42 PolarHBondContact O-N 3.42Å |
| 39 | E | 93.9 | Very high | 86.8 | Confident | 126 Ų | 126 | 104.5 Ų | 104.5 | 59% | 0.589 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.7 | -44.8 | 176.3 | -74.2 | 174.7 | 171 | 0 | 0 | 111.3 | I35 C41 F42 E43 | I35-E39 HydrophobicContact CG2-CG 4.27Å; I35-E39 WeakPolarHBondContact CG2-OE1 3.47Å; I35-E39 WeakPolarHBondContact O-CB 3.42Å; I35-E39 WeakPolarHBondContact O-CG 3.41Å; I35-E39 PolarHBondContact O-N 3.12Å; E39-C41 PolarHBondContact O-N 3.39Å; E39-F42 PolarHBondContact O-N 3.41Å; E39-E43 PolarHBondContact O-N 3.07Å |
| 40 | A | 92 | Very high | 87.7 | Confident | 56 Ų | 56 | 99.8 Ų | 99.8 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A36 E37 F42 E43 E44 | A36-A40 WeakPolarHBondContact O-CB 3.46Å; A36-A40 PolarHBondContact O-N 2.96Å; E37-A40 PolarHBondContact O-N 2.97Å; A40-F42 VanDerWaalsContact C-N 3.3Å; A40-F42 PolarHBondContact O-N 3.28Å; A40-E43 PolarHBondContact O-N 2.99Å; A40-E44 PolarHBondContact O-N 3.22Å; A40-E44 VanDerWaalsContact O-N 3.12Å |
| 41 | C | 92.9 | Very high | 88.2 | Confident | 76 Ų | 76 | 104.3 Ų | 104.3 | 51% | 0.514 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.9 | -36.6 | 174.9 | -73 | 0 | 0 | 0 | 0 | 112.4 | E37 V38 E39 F45 | E37-C41 PolarHBondContact O-N 3.34Å; E37-C41 PolarHBondContact O-SG 2.86Å; E37-C41 VanDerWaalsContact O-SG 3.39Å; V38-C41 PolarHBondContact O-N 2.93Å; E39-C41 PolarHBondContact O-N 3.39Å; C41-F45 PolarHBondContact O-N 2.98Å; C41-F45 VanDerWaalsContact O-N 3.12Å |
| 42 | F | 93.4 | Very high | 87.4 | Confident | 115 Ų | 115 | 106.3 Ų | 106.3 | 50% | 0.504 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.5 | -42.7 | 178.4 | -168.8 | -99.5 | 0 | 0 | 0 | 111.7 | V38 E39 A40 E44 F45 E46 | V38-F42 WeakPolarHBondContact O-CB 3.33Å; V38-F42 PolarHBondContact O-N 3.42Å; E39-F42 PolarHBondContact O-N 3.41Å; A40-F42 VanDerWaalsContact C-N 3.3Å; A40-F42 PolarHBondContact O-N 3.28Å; F42-E44 VanDerWaalsContact C-N 3.33Å; F42-E44 PolarHBondContact O-N 3.36Å; F42-F45 WeakPolarHBondContact O-CB 3.47Å; F42-F45 PolarHBondContact O-N 2.97Å; F42-F45 VanDerWaalsContact O-N 3.13Å; F42-E46 HydrophobicContact CD1-CG 4.16Å; F42-E46 VanDerWaalsContact CE1-CD 3.47Å; F42-E46 HydrophobicContact CE1-CG 3.84Å; F42-E46 WeakPolarHBondContact CE1-OE1 3.19Å; F42-E46 HydrophobicContact CZ-CG 4.29Å; F42-E46 PolarHBondContact O-N 2.87Å |
| 43 | E | 92.6 | Very high | 86.2 | Confident | 144 Ų | 144 | 99 Ų | 99 | 67% | 0.673 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.8 | -40.6 | 175.3 | -171.4 | 175.9 | -168.5 | 0 | 0 | 111.9 | E39 A40 F45 E46 A47 | E39-E43 PolarHBondContact O-N 3.07Å; A40-E43 PolarHBondContact O-N 2.99Å; E43-F45 VanDerWaalsContact C-N 3.34Å; E43-F45 PolarHBondContact O-N 3.47Å; E43-E46 PolarHBondContact O-N 2.99Å; E43-A47 WeakPolarHBondContact O-CB 3.28Å; E43-A47 PolarHBondContact O-N 3.38Å |
| 44 | E | 91 | Very high | 84.9 | Confident | 122 Ų | 122 | 100.2 Ų | 100.2 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.2 | -41 | 174.1 | -168.8 | -175.6 | 168.2 | 0 | 0 | 111.9 | A40 F42 A47 Q48 | A40-E44 PolarHBondContact O-N 3.22Å; A40-E44 VanDerWaalsContact O-N 3.12Å; F42-E44 VanDerWaalsContact C-N 3.33Å; F42-E44 PolarHBondContact O-N 3.36Å; E44-A47 PolarHBondContact O-N 3.38Å; E44-Q48 WeakPolarHBondContact O-CG 3.42Å; E44-Q48 PolarHBondContact O-N 2.98Å; E44-Q48 PolarHBondContact OE1-NE2 2.94Å |
| 45 | F | 91.2 | Very high | 83.2 | Confident | 108 Ų | 108 | 100.8 Ų | 100.8 | 47% | 0.474 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 177.1 | 175.8 | -105.8 | 0 | 0 | 0 | 112.2 | C41 F42 E43 A47 Q48 L49 | C41-F45 PolarHBondContact O-N 2.98Å; C41-F45 VanDerWaalsContact O-N 3.12Å; F42-F45 WeakPolarHBondContact O-CB 3.47Å; F42-F45 PolarHBondContact O-N 2.97Å; F42-F45 VanDerWaalsContact O-N 3.13Å; E43-F45 VanDerWaalsContact C-N 3.34Å; E43-F45 PolarHBondContact O-N 3.47Å; F45-A47 VanDerWaalsContact C-N 3.34Å; F45-A47 PolarHBondContact O-N 3.22Å; F45-Q48 WeakPolarHBondContact O-CB 3.39Å; F45-Q48 PolarHBondContact O-N 3.47Å; F45-Q48 VanDerWaalsContact O-N 3.16Å; F45-L49 HydrophobicContact CD1-CD1 4.01Å; F45-L49 HydrophobicContact CD1-CG 4.45Å; F45-L49 HydrophobicContact CE1-CD1 3.39Å; F45-L49 HydrophobicContact CE1-CG 4.02Å; F45-L49 HydrophobicContact CE2-CD2 4.46Å; F45-L49 HydrophobicContact CE2-CG 4.31Å; F45-L49 HydrophobicContact CZ-CD1 3.69Å; F45-L49 HydrophobicContact CZ-CD2 4.13Å; F45-L49 HydrophobicContact CZ-CG 3.94Å; F45-L49 PolarHBondContact O-N 3.32Å |
| 46 | E | 90.6 | Very high | 81.5 | Confident | 99 Ų | 99 | 100.7 Ų | 100.7 | 46% | 0.463 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 174.8 | -70.9 | -166.1 | 145.5 | 0 | 0 | 112.2 | F42 E43 Q48 L49 S50 | F42-E46 HydrophobicContact CD1-CG 4.16Å; F42-E46 VanDerWaalsContact CE1-CD 3.47Å; F42-E46 HydrophobicContact CE1-CG 3.84Å; F42-E46 WeakPolarHBondContact CE1-OE1 3.19Å; F42-E46 HydrophobicContact CZ-CG 4.29Å; F42-E46 PolarHBondContact O-N 2.87Å; E43-E46 PolarHBondContact O-N 2.99Å; E46-Q48 VanDerWaalsContact C-N 3.29Å; E46-Q48 PolarHBondContact O-N 3.21Å; E46-L49 PolarHBondContact O-N 3.42Å; E46-S50 WeakPolarHBondContact O-CB 3.48Å; E46-S50 PolarHBondContact O-N 3Å; E46-S50 PolarHBondContact O-OG 3.38Å |
| 47 | A | 86.8 | Confident | 79.8 | Confident | 45 Ų | 45 | 106.3 Ų | 106.3 | 37% | 0.372 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.5 | -35.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | E43 E44 F45 K51 | E43-A47 WeakPolarHBondContact O-CB 3.28Å; E43-A47 PolarHBondContact O-N 3.38Å; E44-A47 PolarHBondContact O-N 3.38Å; F45-A47 VanDerWaalsContact C-N 3.34Å; F45-A47 PolarHBondContact O-N 3.22Å; A47-K51 VanDerWaalsContact O-CG 3.32Å; A47-K51 WeakPolarHBondContact O-CG 3.46Å; A47-K51 PolarHBondContact O-N 3.48Å |
| 48 | Q | 86.7 | Confident | 77.7 | Confident | 83 Ų | 83 | 104.2 Ų | 104.2 | 39% | 0.388 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.1 | -47.9 | 173.1 | -70.5 | 177.9 | 24.6 | 0 | 0 | 111.5 | E44 F45 E46 S50 K51 F52 | E44-Q48 WeakPolarHBondContact O-CG 3.42Å; E44-Q48 PolarHBondContact O-N 2.98Å; E44-Q48 PolarHBondContact OE1-NE2 2.94Å; F45-Q48 WeakPolarHBondContact O-CB 3.39Å; F45-Q48 PolarHBondContact O-N 3.47Å; F45-Q48 VanDerWaalsContact O-N 3.16Å; E46-Q48 VanDerWaalsContact C-N 3.29Å; E46-Q48 PolarHBondContact O-N 3.21Å; Q48-S50 VanDerWaalsContact C-N 3.28Å; Q48-S50 PolarHBondContact O-N 3.03Å; Q48-K51 WeakPolarHBondContact O-CB 3.04Å; Q48-K51 PolarHBondContact O-N 3.49Å; Q48-K51 VanDerWaalsContact O-N 3.15Å; Q48-F52 WeakPolarHBondContact O-CD2 3.45Å; Q48-F52 PolarHBondContact O-N 3.39Å; Q48-F52 VanDerWaalsContact O-N 3.15Å |
| 49 | L | 82.5 | Confident | 75.4 | Confident | 81 Ų | 81 | 106.2 Ų | 106.2 | 42% | 0.424 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -57.5 | -42.2 | 176.5 | -74.1 | -179.7 | 0 | 0 | 0 | 112 | F45 E46 K51 F52 C53 | F45-L49 HydrophobicContact CD1-CD1 4.01Å; F45-L49 HydrophobicContact CD1-CG 4.45Å; F45-L49 HydrophobicContact CE1-CD1 3.39Å; F45-L49 HydrophobicContact CE1-CG 4.02Å; F45-L49 HydrophobicContact CE2-CD2 4.46Å; F45-L49 HydrophobicContact CE2-CG 4.31Å; F45-L49 HydrophobicContact CZ-CD1 3.69Å; F45-L49 HydrophobicContact CZ-CD2 4.13Å; F45-L49 HydrophobicContact CZ-CG 3.94Å; F45-L49 PolarHBondContact O-N 3.32Å; E46-L49 PolarHBondContact O-N 3.42Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 3.44Å; L49-F52 PolarHBondContact O-N 3.4Å; L49-F52 VanDerWaalsContact O-N 3.11Å; L49-C53 PolarHBondContact O-N 3.07Å |
| 50 | S | 79.4 | Confident | 73.2 | Confident | 61 Ų | 61 | 108.2 Ų | 108.2 | 43% | 0.427 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -59.8 | -42.2 | 177.6 | -61.9 | 0 | 0 | 0 | 0 | 111.7 | E46 Q48 F52 C53 H54 | E46-S50 WeakPolarHBondContact O-CB 3.48Å; E46-S50 PolarHBondContact O-N 3Å; E46-S50 PolarHBondContact O-OG 3.38Å; Q48-S50 VanDerWaalsContact C-N 3.28Å; Q48-S50 PolarHBondContact O-N 3.03Å; S50-F52 VanDerWaalsContact C-N 3.34Å; S50-F52 PolarHBondContact O-N 3Å; S50-C53 PolarHBondContact O-N 2.86Å; S50-H54 PolarHBondContact O-N 3.22Å; S50-H54 PolarHBondContact O-ND1 2.99Å |
| 51 | K | 77.3 | Confident | 71.2 | Confident | 147 Ų | 147 | 110.8 Ų | 110.8 | 64% | 0.639 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61 | -39.9 | 174.4 | -69.2 | 166.6 | -173.6 | 172.4 | 0 | 112.3 | A47 Q48 L49 | A47-K51 VanDerWaalsContact O-CG 3.32Å; A47-K51 WeakPolarHBondContact O-CG 3.46Å; A47-K51 PolarHBondContact O-N 3.48Å; Q48-K51 WeakPolarHBondContact O-CB 3.04Å; Q48-K51 PolarHBondContact O-N 3.49Å; Q48-K51 VanDerWaalsContact O-N 3.15Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 3.44Å |
| 52 | F | 66.2 | Low | 68.7 | Low | 142 Ų | 142 | 115.4 Ų | 115.4 | 62% | 0.623 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70.9 | -38.3 | 178 | -74.3 | -71.4 | 0 | 0 | 0 | 113 | Q48 L49 S50 S56 | Q48-F52 WeakPolarHBondContact O-CD2 3.45Å; Q48-F52 PolarHBondContact O-N 3.39Å; Q48-F52 VanDerWaalsContact O-N 3.15Å; L49-F52 PolarHBondContact O-N 3.4Å; L49-F52 VanDerWaalsContact O-N 3.11Å; S50-F52 VanDerWaalsContact C-N 3.34Å; S50-F52 PolarHBondContact O-N 3Å; F52-S56 PolarHBondContact O-N 3.31Å; F52-S56 PolarHBondContact O-OG 3.47Å |
| 53 | C | 59 | Low | 66.5 | Low | 71 Ų | 71 | 113.7 Ų | 113.7 | 48% | 0.48 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -69.6 | -35.8 | 179.1 | -75.2 | 0 | 0 | 0 | 0 | 112.4 | L49 S50 C55 S56 | L49-C53 PolarHBondContact O-N 3.07Å; S50-C53 PolarHBondContact O-N 2.86Å; C53-C55 VanDerWaalsContact C-N 3.28Å; C53-C55 PolarHBondContact O-N 3.42Å; C53-S56 PolarHBondContact O-N 2.88Å |
| 54 | H | 56.6 | Low | 64.1 | Low | 151 Ų | 151 | 115.5 Ų | 115.5 | 70% | 0.699 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.8 | -20.1 | -179.5 | -70.8 | 35.4 | 0 | 0 | 0 | 113.2 | S50 | S50-H54 PolarHBondContact O-N 3.22Å; S50-H54 PolarHBondContact O-ND1 2.99Å |
| 55 | C | 52.5 | Low | 61.8 | Low | 113 Ų | 113 | 114.7 Ų | 114.7 | 76% | 0.764 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -90.1 | -10.4 | 174.3 | -66.2 | 0 | 0 | 0 | 0 | 114 | C53 | C53-C55 VanDerWaalsContact C-N 3.28Å; C53-C55 PolarHBondContact O-N 3.42Å |
| 56 | S | 53.9 | Low | 59.4 | Low | 90 Ų | 90 | 115.5 Ų | 115.5 | 63% | 0.629 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -110.4 | 0.5 | -172.1 | -52 | 0 | 0 | 0 | 0 | 114.2 | F52 C53 S58 | F52-S56 PolarHBondContact O-N 3.31Å; F52-S56 PolarHBondContact O-OG 3.47Å; C53-S56 PolarHBondContact O-N 2.88Å; S56-S58 PolarHBondContact O-N 3.35Å |
| 57 | Q | 52.6 | Low | 57.2 | Low | 172 Ų | 172 | 117 Ų | 117 | 80% | 0.804 | 65% | 0.654 | S | S | * | * | | | trans | -81.5 | 48.8 | 177.7 | -77.7 | -176.1 | 0 | 0 | 0 | 113.6 | | |
| 58 | S | 46.4 | Very low | 55.2 | Low | 86 Ų | 86 | 120.9 Ų | 120.9 | 60% | 0.601 | 68% | 0.675 | S | S | * | * | | | trans | -130.1 | 129.6 | 160.2 | 65.1 | 0 | 0 | 0 | 0 | 109.2 | S56 | S56-S58 PolarHBondContact O-N 3.35Š|
| 59 | N | 45.6 | Very low | 52.7 | Low | 143 Ų | 143 | 119.8 Ų | 119.8 | 77% | 0.765 | 69% | 0.686 | S | S | * | * | | | trans | 93.9 | 56.3 | 178.5 | -45 | -57.6 | 0 | 0 | 0 | 116.4 | V61 | N59-V61 PolarHBondContact O-N 3.37Š|
| 60 | D | 48.1 | Very low | 50.9 | Low | 168 Ų | 168 | 123.4 Ų | 123.4 | 90% | 0.898 | 71% | 0.711 | S | S | * | * | | | trans | -81.5 | 75.1 | 140.2 | -160.2 | 5.8 | 0 | 0 | 0 | 108.2 | | |
| 61 | V | 49.3 | Very low | 49 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 67% | 0.667 | 73% | 0.725 | S | S | * | * | | | trans | -128.9 | 98.1 | 162.4 | -170.6 | 0 | 0 | 0 | 0 | 106.4 | N59 S63 | N59-V61 PolarHBondContact O-N 3.37Å; V61-S63 VanDerWaalsContact C-N 3.33Å; V61-S63 PolarHBondContact O-N 3.11Å |
| 62 | H | 40.5 | Very low | 47.6 | Very low | 173 Ų | 173 | 123.9 Ų | 123.9 | 80% | 0.801 | 73% | 0.732 | S | S | * | * | | | trans | -42.8 | 94 | 158.9 | -172 | 81.7 | 0 | 0 | 0 | 110.4 | | |
| 63 | S | 47.3 | Very low | 46.9 | Very low | 79 Ų | 79 | 126.4 Ų | 126.4 | 55% | 0.552 | 74% | 0.743 | S | S | * | * | | | trans | -125.3 | 107.7 | 166.2 | 103.7 | 0 | 0 | 0 | 0 | 108.3 | V61 C65 | V61-S63 VanDerWaalsContact C-N 3.33Å; V61-S63 PolarHBondContact O-N 3.11Å; S63-C65 VanDerWaalsContact C-N 3.32Å; S63-C65 PolarHBondContact O-N 3.27Å; S63-C65 PolarHBondContact OG-SG 2.76Å; S63-C65 VanDerWaalsContact OG-SG 3.37Å |
| 64 | Q | 43.2 | Very low | 46.5 | Very low | 181 Ų | 181 | 129.1 Ų | 129.1 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | | | trans | -53.9 | 100.2 | 153.7 | -81.9 | 175.6 | -18.3 | 0 | 0 | 107.8 | | |
| 65 | C | 41.4 | Very low | 46 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 72% | 0.716 | 76% | 0.76 | S | S | * | * | | | trans | -114.9 | 106.5 | 165.7 | -84.6 | 0 | 0 | 0 | 0 | 108.6 | S63 | S63-C65 VanDerWaalsContact C-N 3.32Å; S63-C65 PolarHBondContact O-N 3.27Å; S63-C65 PolarHBondContact OG-SG 2.76Å; S63-C65 VanDerWaalsContact OG-SG 3.37Å |
| 66 | C | 42.2 | Very low | 45.9 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | | | trans | -52 | 135.8 | 172.4 | -58 | 0 | 0 | 0 | 0 | 111.7 | | |
| 67 | V | 44.1 | Very low | 45.8 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | | | trans | -73.3 | 140.4 | 169.5 | 179.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 68 | P | 44.8 | Very low | 45.6 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | | | trans | -124.3 | 118.1 | 138.9 | 23.5 | -6.6 | 0 | 0 | 0 | 109.4 | | |
| 69 | G | 34.3 | Very low | 45.7 | Very low | 60 Ų | 60 | 131.7 Ų | 131.7 | 62% | 0.619 | 76% | 0.759 | S | S | * | * | | | trans | -74.7 | 157.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 70 | V | 43.9 | Very low | 45.9 | Very low | 158 Ų | 158 | 136.2 Ų | 136.2 | 96% | 0.958 | 77% | 0.766 | S | S | * | * | | | trans | -159.5 | 125.3 | 143.8 | 179.2 | 0 | 0 | 0 | 0 | 105.4 | | |
| 71 | G | 40.8 | Very low | 46.2 | Very low | 69 Ų | 69 | 137.4 Ų | 137.4 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | | | trans | 137 | 91.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 72 | N | 48 | Very low | 46.6 | Very low | 148 Ų | 148 | 139.1 Ų | 139.1 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | -42.7 | 135.4 | 166.8 | -57 | -43.4 | 0 | 0 | 0 | 111.9 | | |
| 73 | F | 51.2 | Low | 47.4 | Very low | 196 Ų | 196 | 142.2 Ų | 142.2 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | | | | -174.4 | 117.5 | 124.3 | -86.5 | -65.6 | 0 | 0 | 0 | 109.2 | | |
| 74 | T | 51 | Low | 48.4 | Very low | 128 Ų | 128 | 146 Ų | 146 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 62.2 | 95.2 | 149.9 | 41.6 | 0 | 0 | 0 | 0 | 120.2 | | |
| 75 | H | 45.8 | Very low | 49.7 | Very low | 161 Ų | 161 | 140.8 Ų | 140.8 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | | | trans | 50.7 | 101 | 146.1 | -94.9 | -68.3 | 0 | 0 | 0 | 120.1 | V77 | H75-V77 VanDerWaalsContact C-N 3.29Å; H75-V77 HydrophobicContact CB-CG2 4.42Å; H75-V77 VanDerWaalsContact ND1-CG2 3.26Å; H75-V77 WeakPolarHBondContact ND1-CG2 3.34Å; H75-V77 PolarHBondContact O-N 3.06Å |
| 76 | P | 49.1 | Very low | 51.2 | Low | 119 Ų | 119 | 140.4 Ų | 140.4 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | 72.7 | 162.7 | 35.5 | -30.8 | 0 | 0 | 0 | 109.4 | | |
| 77 | V | 51.9 | Low | 52.6 | Low | 85 Ų | 85 | 139.6 Ų | 139.6 | 52% | 0.515 | 73% | 0.733 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -117.3 | -15.5 | 173.3 | -171.3 | 0 | 0 | 0 | 0 | 112.3 | H75 | H75-V77 VanDerWaalsContact C-N 3.29Å; H75-V77 HydrophobicContact CB-CG2 4.42Å; H75-V77 VanDerWaalsContact ND1-CG2 3.26Å; H75-V77 WeakPolarHBondContact ND1-CG2 3.34Å; H75-V77 PolarHBondContact O-N 3.06Å |
| 78 | N | 49.8 | Very low | 54.1 | Low | 133 Ų | 133 | 137 Ų | 137 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -101.7 | -9 | -175.9 | -80.4 | -18.6 | 0 | 0 | 0 | 116.2 | | |
| 79 | E | 47.6 | Very low | 55.4 | Low | 167 Ų | 167 | 136.8 Ų | 136.8 | 78% | 0.78 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -92.4 | -14.4 | -176.2 | -69.4 | -174.7 | 169.6 | 0 | 0 | 114.6 | Y81 | E79-Y81 PolarHBondContact O-N 3.23Š|
| 80 | R | 50.1 | Low | 57.3 | Low | 238 Ų | 238 | 138.4 Ų | 138.4 | 90% | 0.898 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -77.8 | -7.3 | 175.5 | -68.3 | -169.7 | -171.6 | 174.7 | 3.4 | 113.8 | | |
| 81 | Y | 53.8 | Low | 58.7 | Low | 193 Ų | 193 | 138.3 Ų | 138.3 | 76% | 0.757 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -104.7 | -3.5 | -172.9 | -80.1 | -79.3 | 0 | 0 | 0 | 115.1 | E79 | E79-Y81 PolarHBondContact O-N 3.23Š|
| 82 | L | 57.8 | Low | 60.2 | Low | 147 Ų | 147 | 138.3 Ų | 138.3 | 77% | 0.77 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -118.7 | 25.2 | -170.6 | -88.8 | 101.1 | 0 | 0 | 0 | 115.4 | | |
| 83 | R | 58.6 | Low | 61.2 | Low | 237 Ų | 237 | 137 Ų | 137 | 89% | 0.894 | 65% | 0.652 | S | S | * | * | | | trans | -123.8 | 74 | 170 | -68.6 | -172.7 | 176.5 | -137 | 0 | 110 | | |
| 84 | R | 67.4 | Low | 61.8 | Low | 158 Ų | 158 | 132 Ų | 132 | 60% | 0.596 | 64% | 0.638 | S | S | * | * | | | trans | -94.4 | 132.7 | 156.8 | -66.9 | -167.5 | -156.7 | 176.6 | 8.8 | 108 | E88 Q89 D92 | R84-E88 VanDerWaalsContact CA-OE2 3.24Å; R84-E88 WeakPolarHBondContact CA-OE2 3.47Å; R84-E88 HydrophobicContact CB-CB 4.23Å; R84-E88 WeakPolarHBondContact CB-OE2 3.35Å; R84-Q89 HydrophobicContact CB-CG 4.22Å; R84-D92 IonicContact NH1-OD2 2.76Å; R84-D92 PolarHBondContact NH1-OD2 3.11Å |
| 85 | T | 70.5 | Confident | 62.3 | Low | 72 Ų | 72 | 130.4 Ų | 130.4 | 44% | 0.442 | 62% | 0.624 | S | S | . | * | | | trans | -68.2 | 155.9 | 173.3 | 53.4 | 0 | 0 | 0 | 0 | 109.7 | D87 E88 Q89 | T85-D87 PolarHBondContact O-N 3.41Å; T85-E88 PolarHBondContact N-OE2 3.38Å; T85-E88 WeakPolarHBondContact O-CB 3.16Å; T85-E88 PolarHBondContact O-N 3.13Å; T85-E88 WeakPolarHBondContact OG1-CG 3.44Å; T85-E88 PolarHBondContact OG1-N 3.14Å; T85-Q89 PolarHBondContact O-N 3.44Å |
| 86 | V | 72 | Confident | 63 | Low | 99 Ų | 99 | 128.5 Ų | 128.5 | 60% | 0.6 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -54.2 | -37 | 172.5 | 174.8 | 0 | 0 | 0 | 0 | 110.2 | E88 Q89 L90 | V86-E88 VanDerWaalsContact C-N 3.35Å; V86-E88 PolarHBondContact O-N 3.34Å; V86-Q89 PolarHBondContact O-N 3.21Å; V86-L90 HydrophobicContact CG1-CD1 3.88Å; V86-L90 HydrophobicContact CG1-CG 4.29Å; V86-L90 WeakPolarHBondContact O-CB 3.37Å; V86-L90 WeakPolarHBondContact O-CG 3.4Å; V86-L90 PolarHBondContact O-N 3.4Å |
| 87 | D | 71.9 | Confident | 63.5 | Low | 106 Ų | 106 | 124.4 Ų | 124.4 | 57% | 0.567 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64 | -34.1 | 175.6 | -60.5 | -19.8 | 0 | 0 | 0 | 113.9 | T85 R91 | T85-D87 PolarHBondContact O-N 3.41Å; D87-R91 WeakPolarHBondContact O-CB 3.49Å; D87-R91 WeakPolarHBondContact O-CG 3.44Å; D87-R91 PolarHBondContact O-N 3.33Å; D87-R91 VanDerWaalsContact O-N 3.07Å; D87-R91 PolarHBondContact O-NE 3.08Å |
| 88 | E | 75.2 | Confident | 63.9 | Low | 79 Ų | 79 | 125.9 Ų | 125.9 | 37% | 0.369 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71 | -41.7 | 173.2 | -79 | 171.3 | -175.2 | 0 | 0 | 111.2 | R84 T85 V86 R91 D92 | R84-E88 VanDerWaalsContact CA-OE2 3.24Å; R84-E88 WeakPolarHBondContact CA-OE2 3.47Å; R84-E88 HydrophobicContact CB-CB 4.23Å; R84-E88 WeakPolarHBondContact CB-OE2 3.35Å; T85-E88 PolarHBondContact N-OE2 3.38Å; T85-E88 WeakPolarHBondContact O-CB 3.16Å; T85-E88 PolarHBondContact O-N 3.13Å; T85-E88 WeakPolarHBondContact OG1-CG 3.44Å; T85-E88 PolarHBondContact OG1-N 3.14Å; V86-E88 VanDerWaalsContact C-N 3.35Å; V86-E88 PolarHBondContact O-N 3.34Å; E88-R91 PolarHBondContact O-N 2.97Å; E88-D92 PolarHBondContact O-N 3.28Å |
| 89 | Q | 73.5 | Confident | 64.3 | Low | 119 Ų | 119 | 127.9 Ų | 127.9 | 56% | 0.556 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.7 | -39.8 | 176.2 | -67.1 | -174.6 | -25.9 | 0 | 0 | 112.1 | R84 T85 V86 D92 L93 | R84-Q89 HydrophobicContact CB-CG 4.22Å; T85-Q89 PolarHBondContact O-N 3.44Å; V86-Q89 PolarHBondContact O-N 3.21Å; Q89-D92 PolarHBondContact O-N 2.78Å; Q89-L93 WeakPolarHBondContact O-CB 3.48Å; Q89-L93 PolarHBondContact O-N 3.2Å |
| 90 | L | 73.3 | Confident | 64.8 | Low | 94 Ų | 94 | 124.5 Ų | 124.5 | 49% | 0.492 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.7 | -37.2 | 175.3 | -74 | 170.2 | 0 | 0 | 0 | 112.2 | V86 L93 T94 | V86-L90 HydrophobicContact CG1-CD1 3.88Å; V86-L90 HydrophobicContact CG1-CG 4.29Å; V86-L90 WeakPolarHBondContact O-CB 3.37Å; V86-L90 WeakPolarHBondContact O-CG 3.4Å; V86-L90 PolarHBondContact O-N 3.4Å; L90-L93 PolarHBondContact O-N 3.32Å; L90-T94 WeakPolarHBondContact O-CB 3.42Å; L90-T94 PolarHBondContact O-N 3.39Å; L90-T94 PolarHBondContact O-OG1 3.41Å |
| 91 | R | 74.2 | Confident | 65 | Low | 157 Ų | 157 | 122.6 Ų | 122.6 | 59% | 0.592 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.4 | -46.3 | 172.7 | -87.4 | -174.4 | -85.3 | -165.1 | -4.9 | 112 | D87 E88 L93 T94 L95 | D87-R91 WeakPolarHBondContact O-CB 3.49Å; D87-R91 WeakPolarHBondContact O-CG 3.44Å; D87-R91 PolarHBondContact O-N 3.33Å; D87-R91 VanDerWaalsContact O-N 3.07Å; D87-R91 PolarHBondContact O-NE 3.08Å; E88-R91 PolarHBondContact O-N 2.97Å; R91-L93 VanDerWaalsContact C-N 3.35Å; R91-L93 PolarHBondContact O-N 3.41Å; R91-T94 PolarHBondContact O-N 3.44Å; R91-L95 WeakPolarHBondContact O-CG 3.48Å; R91-L95 PolarHBondContact O-N 3.15Å; R91-L95 VanDerWaalsContact O-N 3.08Å |
| 92 | D | 72.6 | Confident | 65 | Low | 69 Ų | 69 | 118.1 Ų | 118.1 | 37% | 0.369 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.3 | -43.3 | 177 | -74.1 | -16.2 | 0 | 0 | 0 | 111.2 | R84 E88 Q89 T94 L95 E96 | R84-D92 IonicContact NH1-OD2 2.76Å; R84-D92 PolarHBondContact NH1-OD2 3.11Å; E88-D92 PolarHBondContact O-N 3.28Å; Q89-D92 PolarHBondContact O-N 2.78Å; D92-T94 VanDerWaalsContact C-N 3.34Å; D92-T94 PolarHBondContact O-N 3.33Å; D92-L95 PolarHBondContact O-N 3.01Å; D92-E96 PolarHBondContact O-N 2.78Å |
| 93 | L | 68.9 | Low | 64.8 | Low | 120 Ų | 120 | 120.9 Ų | 120.9 | 63% | 0.628 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.6 | -37.1 | 179.3 | -158.2 | 76.5 | 0 | 0 | 0 | 112.4 | Q89 L90 R91 G97 | Q89-L93 WeakPolarHBondContact O-CB 3.48Å; Q89-L93 PolarHBondContact O-N 3.2Å; L90-L93 PolarHBondContact O-N 3.32Å; R91-L93 VanDerWaalsContact C-N 3.35Å; R91-L93 PolarHBondContact O-N 3.41Å; L93-G97 PolarHBondContact O-N 2.95Å |
| 94 | T | 63.9 | Low | 64.6 | Low | 92 Ų | 92 | 115.6 Ų | 115.6 | 56% | 0.564 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.5 | -41.8 | 177.4 | -53.3 | 0 | 0 | 0 | 0 | 111.1 | L90 R91 D92 G97 E98 | L90-T94 WeakPolarHBondContact O-CB 3.42Å; L90-T94 PolarHBondContact O-N 3.39Å; L90-T94 PolarHBondContact O-OG1 3.41Å; R91-T94 PolarHBondContact O-N 3.44Å; D92-T94 VanDerWaalsContact C-N 3.34Å; D92-T94 PolarHBondContact O-N 3.33Å; T94-G97 PolarHBondContact O-N 2.88Å; T94-E98 PolarHBondContact O-N 3.36Å |
| 95 | L | 61.5 | Low | 63.9 | Low | 94 Ų | 94 | 115.1 Ų | 115.1 | 49% | 0.492 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.4 | -33.6 | 176.9 | -71.6 | 169.5 | 0 | 0 | 0 | 113.1 | R91 D92 R99 | R91-L95 WeakPolarHBondContact O-CG 3.48Å; R91-L95 PolarHBondContact O-N 3.15Å; R91-L95 VanDerWaalsContact O-N 3.08Å; D92-L95 PolarHBondContact O-N 3.01Å; L95-R99 PolarHBondContact O-N 2.92Å |
| 96 | E | 60.1 | Low | 63 | Low | 121 Ų | 121 | 122 Ų | 122 | 57% | 0.565 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -73 | -33.6 | 172.8 | -73.1 | -164.6 | 164.1 | 0 | 0 | 112.4 | D92 E98 R99 N100 | D92-E96 PolarHBondContact O-N 2.78Å; E96-E98 VanDerWaalsContact C-N 3.32Å; E96-E98 PolarHBondContact O-N 3.49Å; E96-R99 PolarHBondContact O-N 2.93Å; E96-N100 PolarHBondContact O-N 3.38Å; E96-N100 VanDerWaalsContact O-N 3.13Å; E96-N100 PolarHBondContact O-ND2 3.4Å |
| 97 | G | 59.9 | Low | 62 | Low | 33 Ų | 33 | 121.2 Ų | 121.2 | 34% | 0.34 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -59.1 | -38.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L93 T94 R101 | L93-G97 PolarHBondContact O-N 2.95Å; T94-G97 PolarHBondContact O-N 2.88Å; G97-R101 WeakPolarHBondContact O-CG 3.29Å; G97-R101 PolarHBondContact O-N 2.74Å |
| 98 | E | 58.7 | Low | 61.3 | Low | 116 Ų | 116 | 121.4 Ų | 121.4 | 54% | 0.542 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -75.5 | -34.3 | 177.9 | -70.7 | -174.7 | 153.6 | 0 | 0 | 113.4 | T94 E96 N100 R101 T102 | T94-E98 PolarHBondContact O-N 3.36Å; E96-E98 VanDerWaalsContact C-N 3.32Å; E96-E98 PolarHBondContact O-N 3.49Å; E98-N100 VanDerWaalsContact C-N 3.3Å; E98-N100 PolarHBondContact O-N 2.89Å; E98-R101 PolarHBondContact O-N 2.8Å; E98-T102 PolarHBondContact O-OG1 3.3Å |
| 99 | R | 59.4 | Low | 60.5 | Low | 174 Ų | 174 | 126 Ų | 126 | 66% | 0.657 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.1 | -30.6 | 174.3 | -77.5 | -173.3 | 170.5 | 117.3 | 0.1 | 112.9 | L95 E96 T102 | L95-R99 PolarHBondContact O-N 2.92Å; E96-R99 PolarHBondContact O-N 2.93Å; R99-T102 PolarHBondContact O-OG1 2.8Å; R99-T102 VanDerWaalsContact O-OG1 3.14Å |
| 100 | N | 57.3 | Low | 59.5 | Low | 96 Ų | 96 | 125.8 Ų | 125.8 | 51% | 0.513 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -79.1 | -30 | 179 | -69 | -28.4 | 0 | 0 | 0 | 112.6 | E96 E98 T102 R103 V104 | E96-N100 PolarHBondContact O-N 3.38Å; E96-N100 VanDerWaalsContact O-N 3.13Å; E96-N100 PolarHBondContact O-ND2 3.4Å; E98-N100 VanDerWaalsContact C-N 3.3Å; E98-N100 PolarHBondContact O-N 2.89Å; N100-T102 VanDerWaalsContact C-N 3.29Å; N100-T102 PolarHBondContact O-N 2.91Å; N100-R103 PolarHBondContact O-N 3Å; N100-V104 PolarHBondContact O-N 3.23Å |
| 101 | R | 55.8 | Low | 58.6 | Low | 198 Ų | 198 | 125.2 Ų | 125.2 | 75% | 0.747 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.5 | -32 | 174 | -73.3 | 175.2 | 179.2 | 173.7 | 0.9 | 113 | G97 E98 | G97-R101 WeakPolarHBondContact O-CG 3.29Å; G97-R101 PolarHBondContact O-N 2.74Å; E98-R101 PolarHBondContact O-N 2.8Å |
| 102 | T | 53.4 | Low | 57.5 | Low | 99 Ų | 99 | 125.6 Ų | 125.6 | 61% | 0.607 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -10.4 | 179.6 | 51.7 | 0 | 0 | 0 | 0 | 114.1 | E98 R99 N100 | E98-T102 PolarHBondContact O-OG1 3.3Å; R99-T102 PolarHBondContact O-OG1 2.8Å; R99-T102 VanDerWaalsContact O-OG1 3.14Å; N100-T102 VanDerWaalsContact C-N 3.29Å; N100-T102 PolarHBondContact O-N 2.91Å |
| 103 | R | 53.6 | Low | 56.6 | Low | 205 Ų | 205 | 130.1 Ų | 130.1 | 77% | 0.774 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -25.1 | -178.2 | -148.8 | 173.3 | -174.5 | 162.2 | 0.8 | 113.6 | N100 D105 | N100-R103 PolarHBondContact O-N 3Å; R103-D105 PolarHBondContact O-N 2.86Å |
| 104 | V | 54.4 | Low | 55.8 | Low | 126 Ų | 126 | 129.8 Ų | 129.8 | 76% | 0.764 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -70.7 | -24.6 | 172.6 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | N100 | N100-V104 PolarHBondContact O-N 3.23Š|
| 105 | D | 51.4 | Low | 55.5 | Low | 148 Ų | 148 | 136.5 Ų | 136.5 | 79% | 0.791 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -92.1 | 5 | -176.4 | -131 | 0.1 | 0 | 0 | 0 | 114.2 | R103 | R103-D105 PolarHBondContact O-N 2.86Š|
| 106 | R | 52.5 | Low | 55.2 | Low | 217 Ų | 217 | 139.4 Ų | 139.4 | 82% | 0.819 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -121.7 | 24.7 | -174.1 | -87 | -148.1 | 177.4 | -178.5 | 2.6 | 114.9 | P108 | R106-P108 VanDerWaalsContact O-CD 3.29Å; R106-P108 WeakPolarHBondContact O-CD 3.42Å |
| 107 | D | 50.2 | Low | 55 | Low | 82 Ų | 82 | 136.8 Ų | 136.8 | 44% | 0.439 | 67% | 0.671 | S | S | . | * | | | trans | -102.3 | 94.8 | 167 | -151.1 | -19.7 | 0 | 0 | 0 | 110.5 | Q109 N110 | D107-Q109 PolarHBondContact O-N 2.95Å; D107-Q109 VanDerWaalsContact O-N 3.15Å; D107-Q109 PolarHBondContact OD1-N 2.65Å; D107-N110 PolarHBondContact OD2-ND2 2.84Å |
| 108 | P | 57.1 | Low | 54.5 | Low | 111 Ų | 111 | 142.8 Ų | 142.8 | 72% | 0.721 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -5.7 | -179.3 | -6.7 | 25.1 | 0 | 0 | 0 | 112 | R106 | R106-P108 VanDerWaalsContact O-CD 3.29Å; R106-P108 WeakPolarHBondContact O-CD 3.42Å |
| 109 | Q | 58.4 | Low | 54.3 | Low | 174 Ų | 174 | 141.6 Ų | 141.6 | 81% | 0.813 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -6.6 | -170.9 | -65.3 | -168.5 | -32.9 | 0 | 0 | 113.8 | D107 | D107-Q109 PolarHBondContact O-N 2.95Å; D107-Q109 VanDerWaalsContact O-N 3.15Å; D107-Q109 PolarHBondContact OD1-N 2.65Å |
| 110 | N | 53.5 | Low | 53.9 | Low | 116 Ų | 116 | 140.5 Ų | 140.5 | 62% | 0.62 | 70% | 0.704 | S | S | * | * | | | trans | -108.9 | 7 | -179.6 | -57.7 | -9.6 | 0 | 0 | 0 | 113.1 | D107 N112 | D107-N110 PolarHBondContact OD2-ND2 2.84Å; N110-N112 VanDerWaalsContact C-N 3.33Å; N110-N112 PolarHBondContact O-N 2.86Å |
| 111 | S | 53.2 | Low | 53.7 | Low | 82 Ų | 82 | 143.7 Ų | 143.7 | 57% | 0.573 | 72% | 0.72 | S | S | * | * | | | trans | -72.2 | 92.3 | 167.2 | 73.6 | 0 | 0 | 0 | 0 | 108.8 | F113 | S111-F113 PolarHBondContact O-N 3.29Š|
| 112 | N | 51.8 | Low | 53.5 | Low | 165 Ų | 165 | 143.1 Ų | 143.1 | 88% | 0.882 | 73% | 0.726 | S | S | * | * | | | trans | -67 | 53.7 | 152.7 | -76.9 | -31.8 | 0 | 0 | 0 | 109.2 | N110 D114 | N110-N112 VanDerWaalsContact C-N 3.33Å; N110-N112 PolarHBondContact O-N 2.86Å; N112-D114 PolarHBondContact O-N 3.01Å |
| 113 | F | 53.3 | Low | 53.5 | Low | 164 Ų | 164 | 150 Ų | 150 | 72% | 0.719 | 74% | 0.74 | S | S | * | * | | | trans | -71.4 | 93.5 | 164.5 | -139 | -82.9 | 0 | 0 | 0 | 104.8 | S111 R115 | S111-F113 PolarHBondContact O-N 3.29Å; F113-R115 PolarHBondContact O-N 3.21Å |
| 114 | D | 52.5 | Low | 53.3 | Low | 113 Ų | 113 | 151.6 Ų | 151.6 | 60% | 0.604 | 75% | 0.746 | S | S | * | * | | | trans | -41.5 | 108.5 | 169.1 | -112.7 | -34.5 | 0 | 0 | 0 | 107.8 | N112 N116 S117 | N112-D114 PolarHBondContact O-N 3.01Å; D114-N116 PolarHBondContact O-N 3.12Å; D114-S117 WeakPolarHBondContact CB-OG 3.44Å; D114-S117 PolarHBondContact O-N 2.86Å; D114-S117 PolarHBondContact O-OG 3.22Å |
| 115 | R | 57.8 | Low | 52.7 | Low | 233 Ų | 233 | 149.3 Ų | 149.3 | 88% | 0.879 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | 0.9 | 175.8 | -77.3 | -174.8 | 173.5 | 179.3 | -0.7 | 112.3 | F113 | F113-R115 PolarHBondContact O-N 3.21Š|
| 116 | N | 55.7 | Low | 52.8 | Low | 155 Ų | 155 | 152.6 Ų | 152.6 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -2.9 | 172 | -86.6 | 4.6 | 0 | 0 | 0 | 114.5 | D114 | D114-N116 PolarHBondContact O-N 3.12Š|
| 117 | S | 55.5 | Low | 52.6 | Low | 66 Ų | 66 | 151.6 Ų | 151.6 | 46% | 0.462 | 75% | 0.751 | S | S | . | * | | | trans | -96.8 | 22.5 | -175.4 | -47.7 | 0 | 0 | 0 | 0 | 114.8 | D114 S119 | D114-S117 WeakPolarHBondContact CB-OG 3.44Å; D114-S117 PolarHBondContact O-N 2.86Å; D114-S117 PolarHBondContact O-OG 3.22Å; S117-S119 PolarHBondContact O-N 2.99Å |
| 118 | I | 49.7 | Very low | 52.7 | Low | 158 Ų | 158 | 154 Ų | 154 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | | | trans | -77.8 | 77.3 | 174.5 | -53.6 | 177.3 | 0 | 0 | 0 | 108.9 | | |
| 119 | S | 53 | Low | 52.3 | Low | 91 Ų | 91 | 152.5 Ų | 152.5 | 64% | 0.636 | 76% | 0.756 | S | S | * | * | | | trans | -99.1 | 123.8 | 170.2 | 63.9 | 0 | 0 | 0 | 0 | 110.4 | S117 | S117-S119 PolarHBondContact O-N 2.99Š|
| 120 | I | 50.9 | Low | 51.8 | Low | 151 Ų | 151 | 152.7 Ų | 152.7 | 77% | 0.774 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 73.2 | 78.6 | 150.2 | -45.5 | 152.7 | 0 | 0 | 0 | 115.6 | | |
| 121 | L | 54.2 | Low | 51.5 | Low | 163 Ų | 163 | 158.4 Ų | 158.4 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -174.8 | 0.9 | 144.2 | -103.7 | 146.2 | 0 | 0 | 0 | 117.6 | | |
| 122 | H | 51.5 | Low | 51.1 | Low | 187 Ų | 187 | 158.4 Ų | 158.4 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -109.9 | 31.5 | -173.4 | -73.6 | -103.9 | 0 | 0 | 0 | 116.2 | | |
| 123 | R | 53.2 | Low | 51.1 | Low | 244 Ų | 244 | 158.3 Ų | 158.3 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -124.3 | 9.5 | -177.3 | -98.3 | -165.3 | -92.1 | -143.2 | -1.1 | 118.4 | | |
| 124 | R | 48.6 | Very low | 50.7 | Low | 238 Ų | 238 | 156.8 Ų | 156.8 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | | | trans | -157.3 | 56.6 | 177.2 | -135.4 | 151.2 | 176.8 | 150 | -5.4 | 115.9 | | |
| 125 | G | 42.1 | Very low | 50.6 | Low | 78 Ų | 78 | 156.5 Ų | 156.5 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -101.7 | 83.3 | 154.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | F127 | G125-F127 PolarHBondContact O-N 3.05Š|
| 126 | R | 53.2 | Low | 50 | Low | 216 Ų | 216 | 151.8 Ų | 151.8 | 82% | 0.815 | 77% | 0.772 | S | S | * | * | | | trans | -70 | 93.1 | 159 | -74.1 | -154.9 | 178.8 | -128.4 | 1.6 | 105.7 | D128 | R126-D128 PolarHBondContact O-N 3.3Š|
| 127 | F | 49.3 | Very low | 49.6 | Very low | 196 Ų | 196 | 149.3 Ų | 149.3 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | | | trans | -73.7 | 103.2 | 158.3 | -158.2 | -95.5 | 0 | 0 | 0 | 105.1 | G125 S129 | G125-F127 PolarHBondContact O-N 3.05Å; F127-S129 VanDerWaalsContact C-N 3.29Å; F127-S129 PolarHBondContact O-N 3.33Å |
| 128 | D | 51.3 | Low | 49.1 | Very low | 134 Ų | 134 | 154.3 Ų | 154.3 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | | | trans | -61.7 | 95.1 | 173.6 | -80.1 | -36.5 | 0 | 0 | 0 | 108.4 | R126 | R126-D128 PolarHBondContact O-N 3.3Š|
| 129 | S | 49.4 | Very low | 48.6 | Very low | 78 Ų | 78 | 151.4 Ų | 151.4 | 55% | 0.545 | 77% | 0.772 | S | S | . | * | | | trans | -60.1 | 139.4 | 154.3 | 173.6 | 0 | 0 | 0 | 0 | 107.6 | F127 | F127-S129 VanDerWaalsContact C-N 3.29Å; F127-S129 PolarHBondContact O-N 3.33Å |
| 130 | H | 47.7 | Very low | 48.2 | Very low | 178 Ų | 178 | 152.1 Ų | 152.1 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | trans | 92 | 67.4 | 177.1 | -41.6 | -61.8 | 0 | 0 | 0 | 116.6 | | |
| 131 | R | 46.6 | Very low | 48 | Very low | 237 Ų | 237 | 150.8 Ų | 150.8 | 89% | 0.894 | 78% | 0.781 | S | S | * | * | | | trans | -125.7 | 98.5 | 138.6 | -162.1 | 170.2 | -171.6 | -166.3 | 0.8 | 110.1 | | |
| 132 | A | 45.9 | Very low | 47.4 | Very low | 81 Ų | 81 | 145.9 Ų | 145.9 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | | | trans | -53.4 | 135.1 | 160 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 133 | Q | 51.1 | Low | 47.2 | Very low | 163 Ų | 163 | 145.3 Ų | 145.3 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | | | | 176.3 | 128 | 118 | -95.3 | 176.8 | -13.8 | 0 | 0 | 110.9 | | |
| 134 | D | 45.9 | Very low | 47.1 | Very low | 133 Ų | 133 | 138 Ų | 138 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | | | trans | 83.1 | 109.7 | 144.5 | -51.2 | -19.7 | 0 | 0 | 0 | 119.3 | | |
| 135 | S | 49.6 | Very low | 47 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | | | trans | 26.5 | 125.3 | 138.4 | 60.5 | 0 | 0 | 0 | 0 | 116.8 | | |
| 136 | V | 46.5 | Very low | 47.5 | Very low | 134 Ų | 134 | 136.5 Ų | 136.5 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | | | | -162.9 | 140.9 | 74.2 | 160.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 137 | T | 46.5 | Very low | 47.3 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 63% | 0.632 | 76% | 0.763 | S | S | * | * | | | trans | -46.3 | 149.8 | 176.5 | 33.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 138 | Q | 45.3 | Very low | 47.3 | Very low | 172 Ų | 172 | 130.9 Ų | 130.9 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | 69.2 | 148 | 135.5 | -69.7 | 170.7 | -34.2 | 0 | 0 | 117.3 | | |
| 139 | S | 39.8 | Very low | 47.5 | Very low | 96 Ų | 96 | 129.6 Ų | 129.6 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | | | cis | -173.5 | 146.6 | -4.9 | -101.1 | 0 | 0 | 0 | 0 | 106.6 | | |
| 140 | S | 44.1 | Very low | 48.1 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | 27.9 | 137.2 | 146.2 | 64.2 | 0 | 0 | 0 | 0 | 122.7 | | |
| 141 | S | 47.3 | Very low | 48.7 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | | | trans | 107.8 | 127.5 | 135.3 | 77.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 142 | G | 40.6 | Very low | 49.6 | Very low | 60 Ų | 60 | 129.3 Ų | 129.3 | 62% | 0.619 | 77% | 0.769 | S | S | * | * | | | trans | 118.9 | 123.6 | 135.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 143 | I | 47.8 | Very low | 50.3 | Low | 176 Ų | 176 | 132.5 Ų | 132.5 | 90% | 0.903 | 78% | 0.775 | S | S | * | * | | | trans | 68.2 | 148.8 | 138.5 | 72.5 | 158.2 | 0 | 0 | 0 | 118 | | |
| 144 | A | 50.3 | Low | 51.1 | Low | 91 Ų | 91 | 129.3 Ų | 129.3 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | | | cis | -169.7 | 167.1 | -16.2 | 0 | 0 | 0 | 0 | 0 | 105.7 | | |
| 145 | E | 46 | Very low | 51.8 | Low | 185 Ų | 185 | 129.8 Ų | 129.8 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | | | trans | -53.3 | 142 | 179.3 | -59.8 | 172.4 | 135.9 | 0 | 0 | 113.7 | | |
| 146 | A | 54.1 | Low | 52.7 | Low | 98 Ų | 98 | 133.2 Ų | 133.2 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | | | trans | -151.3 | 87.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 147 | E | 48.8 | Very low | 53.9 | Low | 180 Ų | 180 | 135.3 Ų | 135.3 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | | | trans | -44.6 | 132.1 | 144.8 | 53.2 | -161.3 | 85.5 | 0 | 0 | 111.9 | | |
| 148 | S | 48.7 | Very low | 54.4 | Low | 115 Ų | 115 | 137.9 Ų | 137.9 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -174.1 | 122.1 | 147.7 | -172.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 149 | S | 55.2 | Low | 55.2 | Low | 107 Ų | 107 | 134.6 Ų | 134.6 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -48.8 | 146.8 | 164.6 | 48.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 150 | D | 62.7 | Low | 55.9 | Low | 162 Ų | 162 | 138.1 Ų | 138.1 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | | | trans | -148.2 | 133.6 | 148.8 | -154.9 | 3 | 0 | 0 | 0 | 112.2 | | |
| 151 | N | 59.5 | Low | 56.7 | Low | 131 Ų | 131 | 137.3 Ų | 137.3 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | | | trans | -78.7 | 140.6 | -173.4 | -82.5 | -23.4 | 0 | 0 | 0 | 111.2 | | |
| 152 | F | 65.8 | Low | 57.2 | Low | 193 Ų | 193 | 137.8 Ų | 137.8 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | trans | -145.6 | 76.3 | 145.7 | -134.7 | -100.2 | 0 | 0 | 0 | 109.5 | V154 | F152-V154 HydrophobicContact CD1-CG2 3.37Å; F152-V154 HydrophobicContact CE1-CG2 3.68Å; F152-V154 PolarHBondContact O-N 3.12Å |
| 153 | L | 60.1 | Low | 57.6 | Low | 149 Ų | 149 | 141.3 Ų | 141.3 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | | | trans | -67.5 | 111.9 | 156.5 | -88.7 | 163.2 | 0 | 0 | 0 | 106.5 | | |
| 154 | V | 68.3 | Low | 58.2 | Low | 95 Ų | 95 | 137.3 Ų | 137.3 | 58% | 0.576 | 79% | 0.786 | S | S | * | * | | | trans | -95.2 | 99.5 | 167.5 | -177.7 | 0 | 0 | 0 | 0 | 106.5 | F152 E156 | F152-V154 HydrophobicContact CD1-CG2 3.37Å; F152-V154 HydrophobicContact CE1-CG2 3.68Å; F152-V154 PolarHBondContact O-N 3.12Å; V154-E156 HydrophobicContact CG1-CG 4.43Å |
| 155 | D | 61.3 | Low | 58.2 | Low | 144 Ų | 144 | 138.8 Ų | 138.8 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | trans | -75.3 | 116.6 | 160.3 | -69 | -39.2 | 0 | 0 | 0 | 107.5 | | |
| 156 | E | 67.4 | Low | 59.1 | Low | 177 Ų | 177 | 138.4 Ų | 138.4 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | | | trans | -133.8 | 82.9 | 163 | -96.5 | -171.5 | 162.5 | 0 | 0 | 109.1 | V154 | V154-E156 HydrophobicContact CG1-CG 4.43Š|
| 157 | E | 71.8 | Confident | 59.5 | Low | 179 Ų | 179 | 142.1 Ų | 142.1 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | | | | 29.9 | 102.8 | 121.2 | -159.2 | 170.9 | -178.5 | 0 | 0 | 118.4 | | |
| 158 | E | 58.3 | Low | 59.8 | Low | 156 Ų | 156 | 140.8 Ų | 140.8 | 73% | 0.729 | 78% | 0.779 | S | S | * | * | | | | 35.8 | 116.1 | 122.4 | -155.4 | 173.7 | 175.7 | 0 | 0 | 119.9 | | |
| 159 | A | 61.6 | Low | 60.4 | Low | 103 Ų | 103 | 142.9 Ų | 142.9 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | | | trans | -142.6 | 98.6 | 151.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 160 | E | 54.4 | Low | 60.4 | Low | 171 Ų | 171 | 144.1 Ų | 144.1 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | | | trans | -71.9 | 134.1 | 160.6 | -62.7 | -172.6 | 154.3 | 0 | 0 | 109.7 | | |
| 161 | A | 60.1 | Low | 60.3 | Low | 88 Ų | 88 | 140.9 Ų | 140.9 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | -155.3 | 98.8 | 160.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 162 | T | 57.5 | Low | 60.4 | Low | 134 Ų | 134 | 140.3 Ų | 140.3 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | 63.1 | 103.7 | 132.7 | 58 | 0 | 0 | 0 | 0 | 119.9 | | |
| 163 | V | 49.6 | Very low | 59.8 | Low | 134 Ų | 134 | 143.7 Ų | 143.7 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | | | trans | -59 | 124.5 | 148.2 | 166.3 | 0 | 0 | 0 | 0 | 109.5 | T165 | V163-T165 HydrophobicContact CG1-CG2 3.9Š|
| 164 | A | 60.3 | Low | 59.8 | Low | 91 Ų | 91 | 143.4 Ų | 143.4 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | | | trans | -114.3 | 102.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 165 | T | 51 | Low | 59.3 | Low | 122 Ų | 122 | 145.9 Ų | 145.9 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | | | trans | -85.2 | 119.1 | 163.9 | 46.3 | 0 | 0 | 0 | 0 | 108.2 | V163 | V163-T165 HydrophobicContact CG1-CG2 3.9Š|
| 166 | E | 65.1 | Low | 59.2 | Low | 178 Ų | 178 | 146.1 Ų | 146.1 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | | | trans | -131.9 | 107.3 | 159.9 | -59.3 | -172.8 | 176.8 | 0 | 0 | 103.2 | | |
| 167 | E | 61.2 | Low | 58.7 | Low | 175 Ų | 175 | 144.2 Ų | 144.2 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | | 38.8 | 118.6 | 83.1 | -109.6 | -172.7 | 164.8 | 0 | 0 | 109.1 | | |
| 168 | E | 55.4 | Low | 57.9 | Low | 152 Ų | 152 | 142.1 Ų | 142.1 | 71% | 0.71 | 81% | 0.805 | S | S | * | * | | | cis | 166.3 | 147.6 | 44.2 | 177.5 | -179.4 | 147.2 | 0 | 0 | 101.7 | | |
| 169 | L | 61.3 | Low | 57.9 | Low | 160 Ų | 160 | 141.1 Ų | 141.1 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | | | trans | 168.1 | 83.8 | 138.7 | -87.3 | 166.9 | 0 | 0 | 0 | 108.7 | | |
| 170 | D | 56.1 | Low | 57.6 | Low | 133 Ų | 133 | 143.9 Ų | 143.9 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | | | trans | -60.9 | 133.8 | 146 | -176.8 | 23.4 | 0 | 0 | 0 | 109 | | |
| 171 | A | 61.1 | Low | 57.8 | Low | 94 Ų | 94 | 141.8 Ų | 141.8 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | | | trans | -147.3 | 87.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 172 | T | 60 | Low | 57.6 | Low | 118 Ų | 118 | 146.3 Ų | 146.3 | 72% | 0.724 | 82% | 0.815 | S | S | * | * | | | trans | -63.1 | 125.2 | 162 | 53.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 173 | E | 53 | Low | 57.7 | Low | 264 Ų | 264 | 147.4 Ų | 147.4 | 100% | 1.234 | 81% | 0.814 | S | S | * | * | | | | 166.7 | 0 | 118.3 | -166.5 | 173.7 | 171.3 | 0 | 0 | 110.5 | | |