| 1 | M | 48.7 | Very low | 59.9 | Low | 243 Ų | 243 | 183.4 Ų | 183.4 | 100% | 1.197 | 83% | 0.826 | S | S | * | * | | | | 0 | 95.3 | 0 | -67.9 | 175.9 | -164.1 | 0 | 0 | 108.1 | | |
| 2 | E | 41.5 | Very low | 60.7 | Low | 187 Ų | 187 | 186.8 Ų | 186.8 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | | | trans | -143.9 | 102.4 | 164.4 | -95.7 | -168.1 | 94.9 | 0 | 0 | 110.6 | | |
| 3 | R | 55.1 | Low | 61.2 | Low | 167 Ų | 167 | 181.9 Ų | 181.9 | 63% | 0.63 | 82% | 0.822 | S | S | * | * | | | trans | 63.2 | 69.9 | 130.1 | -140.1 | 169.8 | -159.3 | 175.1 | 7.1 | 116.3 | R5 | R3-R5 HydrophobicContact CG-CG 3.72Å; R3-R5 HydrophobicContact CG-CB 4.08Å; R3-R5 PolarHBondContact O-N 2.8Å; R3-R5 VanDerWaalsContact NH2-NH1 3.11Å; R3-R5 VanDerWaalsContact NH2-NH2 3.18Å |
| 4 | S | 49 | Very low | 61.9 | Low | 127 Ų | 127 | 175.5 Ų | 175.5 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | | | trans | -57.9 | 57.6 | 144.5 | -55.6 | 0 | 0 | 0 | 0 | 111.8 | A6 | S4-A6 PolarHBondContact O-N 3.05Š|
| 5 | R | 61 | Low | 61.9 | Low | 178 Ų | 178 | 172.5 Ų | 172.5 | 67% | 0.672 | 81% | 0.806 | S | S | * | * | | | trans | -81.1 | 74.2 | 160.4 | -88.3 | -176.8 | 173 | -170.9 | -5.1 | 106.5 | R3 P7 | R3-R5 HydrophobicContact CG-CG 3.72Å; R3-R5 HydrophobicContact CG-CB 4.08Å; R3-R5 PolarHBondContact O-N 2.8Å; R3-R5 VanDerWaalsContact NH2-NH1 3.11Å; R3-R5 VanDerWaalsContact NH2-NH2 3.18Å; R5-P7 WeakPolarHBondContact O-CD 3.37Å; R5-P7 VanDerWaalsContact O-N 3.12Å |
| 6 | A | 61.7 | Low | 62 | Low | 64 Ų | 64 | 166.9 Ų | 166.9 | 53% | 0.529 | 81% | 0.809 | S | S | . | * | | | trans | -48.6 | 122.1 | 150.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | S4 W8 | S4-A6 PolarHBondContact O-N 3.05Å; A6-W8 PolarHBondContact O-N 2.89Å |
| 7 | P | 64.6 | Low | 62 | Low | 118 Ų | 118 | 161.3 Ų | 161.3 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | | | trans | -65 | 97.8 | 169.9 | 26.8 | -29.6 | 0 | 0 | 0 | 104.1 | R5 R9 | R5-P7 WeakPolarHBondContact O-CD 3.37Å; R5-P7 VanDerWaalsContact O-N 3.12Å; P7-R9 VanDerWaalsContact C-N 3.33Å; P7-R9 PolarHBondContact O-N 2.72Å |
| 8 | W | 69.1 | Low | 62.2 | Low | 227 Ų | 227 | 164.8 Ų | 164.8 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -47.2 | 110.5 | 165.5 | -59.7 | 90.2 | 0 | 0 | 0 | 104.5 | A6 R10 | A6-W8 PolarHBondContact O-N 2.89Å; W8-R10 PolarHBondContact O-N 3.13Å |
| 9 | R | 67.7 | Low | 62.2 | Low | 229 Ų | 229 | 160.8 Ų | 160.8 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | | | trans | -56.3 | 98.8 | 173.9 | -95.4 | -175 | 172.7 | -140.9 | 0.3 | 104.1 | P7 W11 | P7-R9 VanDerWaalsContact C-N 3.33Å; P7-R9 PolarHBondContact O-N 2.72Å; R9-W11 PolarHBondContact O-N 3.05Å |
| 10 | R | 68.4 | Low | 62.1 | Low | 229 Ų | 229 | 157.2 Ų | 157.2 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | | | trans | -63.7 | 108.4 | 175.5 | -81.1 | -169.6 | 170.8 | -178.5 | -2.4 | 104.6 | W8 R12 | W8-R10 PolarHBondContact O-N 3.13Å; R10-R12 PolarHBondContact O-N 2.93Å |
| 11 | W | 71.9 | Confident | 61.9 | Low | 248 Ų | 248 | 154 Ų | 154 | 94% | 0.939 | 76% | 0.759 | S | S | * | * | | | trans | -55.5 | 107.3 | 169.1 | -61.5 | 98.2 | 0 | 0 | 0 | 106.7 | R9 | R9-W11 PolarHBondContact O-N 3.05Š|
| 12 | R | 69.3 | Low | 62.4 | Low | 225 Ų | 225 | 145.8 Ų | 145.8 | 85% | 0.849 | 72% | 0.722 | S | S | * | * | | | trans | -85.2 | 115.5 | 168.1 | -68.5 | -172 | -171.9 | -163.6 | 3.1 | 105.6 | R10 V14 | R10-R12 PolarHBondContact O-N 2.93Å; R12-V14 PolarHBondContact O-N 2.93Å |
| 13 | T | 67.3 | Low | 63.1 | Low | 123 Ų | 123 | 140.3 Ų | 140.3 | 76% | 0.755 | 71% | 0.705 | S | S | * | * | | | trans | -59.3 | 112.3 | 165.9 | -51.4 | 0 | 0 | 0 | 0 | 106.9 | P15 | T13-P15 WeakPolarHBondContact O-CD 3.43Š|
| 14 | V | 71.3 | Confident | 63.3 | Low | 92 Ų | 92 | 136.4 Ų | 136.4 | 56% | 0.558 | 70% | 0.702 | S | S | * | * | | | trans | -67.4 | 121.4 | 176.5 | 179.2 | 0 | 0 | 0 | 0 | 107 | R12 G16 S17 | R12-V14 PolarHBondContact O-N 2.93Å; V14-G16 PolarHBondContact O-N 2.7Å; V14-G16 VanDerWaalsContact O-N 3.13Å; V14-S17 WeakPolarHBondContact O-CB 3.43Å; V14-S17 PolarHBondContact O-N 2.91Å |
| 15 | P | 62.3 | Low | 63.9 | Low | 131 Ų | 131 | 134.4 Ų | 134.4 | 85% | 0.851 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 119.6 | 175.8 | 24.9 | -31 | 0 | 0 | 0 | 108.2 | T13 | T13-P15 WeakPolarHBondContact O-CD 3.43Š|
| 16 | G | 62.8 | Low | 64.1 | Low | 82 Ų | 82 | 135.1 Ų | 135.1 | 85% | 0.845 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 107.9 | -11.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V14 R18 | V14-G16 PolarHBondContact O-N 2.7Å; V14-G16 VanDerWaalsContact O-N 3.13Å; G16-R18 PolarHBondContact O-N 2.78Å |
| 17 | S | 62.3 | Low | 63.9 | Low | 72 Ų | 72 | 142.5 Ų | 142.5 | 50% | 0.503 | 70% | 0.704 | S | S | . | * | | | trans | -74.3 | 79.3 | 159.7 | -80.4 | 0 | 0 | 0 | 0 | 108.8 | V14 S19 | V14-S17 WeakPolarHBondContact O-CB 3.43Å; V14-S17 PolarHBondContact O-N 2.91Å; S17-S19 PolarHBondContact O-N 2.82Å |
| 18 | R | 65.1 | Low | 63.9 | Low | 225 Ų | 225 | 146.2 Ų | 146.2 | 85% | 0.849 | 70% | 0.704 | S | S | * | * | | | trans | -64.3 | 91.7 | 155.2 | -174.5 | 170.2 | 174.2 | 168.3 | -3.1 | 105 | G16 D20 | G16-R18 PolarHBondContact O-N 2.78Å; R18-D20 VanDerWaalsContact C-N 3.28Å; R18-D20 PolarHBondContact O-N 2.88Å |
| 19 | S | 62.1 | Low | 63.6 | Low | 88 Ų | 88 | 146.4 Ų | 146.4 | 62% | 0.615 | 71% | 0.705 | S | S | * | * | | | trans | -52.8 | 103.6 | 166.2 | -65.4 | 0 | 0 | 0 | 0 | 105.5 | S17 T21 | S17-S19 PolarHBondContact O-N 2.82Å; S19-T21 PolarHBondContact O-N 2.72Å |
| 20 | D | 60.1 | Low | 63 | Low | 88 Ų | 88 | 139.2 Ų | 139.2 | 47% | 0.471 | 69% | 0.694 | S | S | . | * | | | trans | -69.7 | 75.3 | 169.6 | -165.2 | -91.8 | 0 | 0 | 0 | 106.1 | R18 T22 S23 C24 | R18-D20 VanDerWaalsContact C-N 3.28Å; R18-D20 PolarHBondContact O-N 2.88Å; D20-T22 VanDerWaalsContact O-N 3.16Å; D20-T22 PolarHBondContact O-N 3.38Å; D20-S23 PolarHBondContact O-N 3.39Å; D20-S23 WeakPolarHBondContact OD1-CA 3.14Å; D20-S23 WeakPolarHBondContact OD1-CB 3.47Å; D20-S23 PolarHBondContact OD1-N 3.04Å; D20-C24 PolarHBondContact O-N 2.73Å |
| 21 | T | 58.7 | Low | 62.4 | Low | 92 Ų | 92 | 143.4 Ų | 143.4 | 56% | 0.564 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -57.8 | -25 | 175.7 | 45.1 | 0 | 0 | 0 | 0 | 109.6 | S19 C24 C25 | S19-T21 PolarHBondContact O-N 2.72Å; T21-C24 PolarHBondContact O-N 3.16Å; T21-C25 PolarHBondContact O-N 3.45Å; T21-C25 PolarHBondContact O-SG 3.11Å |
| 22 | T | 58.3 | Low | 62 | Low | 69 Ų | 69 | 138.2 Ų | 138.2 | 42% | 0.423 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -59.2 | -44.1 | 171.7 | -53.3 | 0 | 0 | 0 | 0 | 112.9 | D20 C25 R26 | D20-T22 VanDerWaalsContact O-N 3.16Å; D20-T22 PolarHBondContact O-N 3.38Å; T22-C25 PolarHBondContact O-N 3.33Å; T22-R26 WeakPolarHBondContact O-CG 3.4Å; T22-R26 VanDerWaalsContact O-N 3.11Å; T22-R26 PolarHBondContact O-N 3.29Å |
| 23 | S | 56.7 | Low | 61.6 | Low | 72 Ų | 72 | 133.6 Ų | 133.6 | 50% | 0.503 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -71.6 | -30.4 | 177.5 | -169.2 | 0 | 0 | 0 | 0 | 112.7 | D20 | D20-S23 PolarHBondContact O-N 3.39Å; D20-S23 WeakPolarHBondContact OD1-CA 3.14Å; D20-S23 WeakPolarHBondContact OD1-CB 3.47Å; D20-S23 PolarHBondContact OD1-N 3.04Å |
| 24 | C | 60.3 | Low | 61.3 | Low | 86 Ų | 86 | 134.2 Ų | 134.2 | 58% | 0.581 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -65.1 | -49.6 | 170.3 | -98.1 | 0 | 0 | 0 | 0 | 110.9 | D20 T21 R26 R27 Y28 | D20-C24 PolarHBondContact O-N 2.73Å; T21-C24 PolarHBondContact O-N 3.16Å; C24-R26 PolarHBondContact O-N 3.2Å; C24-R27 PolarHBondContact O-N 2.97Å; C24-Y28 VanDerWaalsContact O-CD2 3.26Å; C24-Y28 WeakPolarHBondContact O-CD2 3.26Å |
| 25 | C | 61.9 | Low | 60.7 | Low | 85 Ų | 85 | 136.7 Ų | 136.7 | 57% | 0.574 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -68.7 | -29.6 | -174.8 | -64.7 | 0 | 0 | 0 | 0 | 113.6 | T21 T22 R27 Y28 | T21-C25 PolarHBondContact O-N 3.45Å; T21-C25 PolarHBondContact O-SG 3.11Å; T22-C25 PolarHBondContact O-N 3.33Å; C25-R27 VanDerWaalsContact C-N 3.28Å; C25-R27 PolarHBondContact O-N 3.5Å; C25-Y28 PolarHBondContact O-N 3.35Å |
| 26 | R | 63.6 | Low | 60.6 | Low | 193 Ų | 193 | 137.1 Ų | 137.1 | 73% | 0.728 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -66.8 | -24.6 | 178.8 | -76.1 | -174.5 | -157.8 | 179.7 | 8.7 | 113.9 | T22 C24 Y28 | T22-R26 WeakPolarHBondContact O-CG 3.4Å; T22-R26 VanDerWaalsContact O-N 3.11Å; T22-R26 PolarHBondContact O-N 3.29Å; C24-R26 PolarHBondContact O-N 3.2Å; R26-Y28 VanDerWaalsContact C-N 3.31Å; R26-Y28 PolarHBondContact O-N 3.41Å |
| 27 | R | 58.4 | Low | 60.4 | Low | 219 Ų | 219 | 140.7 Ų | 140.7 | 83% | 0.826 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -14.5 | 177.4 | -79.3 | -174.4 | 175.7 | -174.6 | -1.4 | 114.1 | C24 C25 | C24-R27 PolarHBondContact O-N 2.97Å; C25-R27 VanDerWaalsContact C-N 3.28Å; C25-R27 PolarHBondContact O-N 3.5Å |
| 28 | Y | 65 | Low | 60.3 | Low | 195 Ų | 195 | 145.6 Ų | 145.6 | 77% | 0.765 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | 5.6 | -178.7 | -64.7 | -82.7 | 0 | 0 | 0 | 113.9 | C24 C25 R26 | C24-Y28 VanDerWaalsContact O-CD2 3.26Å; C24-Y28 WeakPolarHBondContact O-CD2 3.26Å; C25-Y28 PolarHBondContact O-N 3.35Å; R26-Y28 VanDerWaalsContact C-N 3.31Å; R26-Y28 PolarHBondContact O-N 3.41Å |
| 29 | R | 61.5 | Low | 59.9 | Low | 232 Ų | 232 | 139.5 Ų | 139.5 | 88% | 0.875 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -109.7 | 56.7 | 171.2 | -164.6 | -179.9 | 176.3 | 146.3 | -1.3 | 110.3 | | |
| 30 | A | 56 | Low | 59.7 | Low | 77 Ų | 77 | 143.8 Ų | 143.8 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | | | trans | -142.4 | -6 | 168 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 31 | W | 56.3 | Low | 59.7 | Low | 318 Ų | 318 | 148.9 Ų | 148.9 | 100% | 1.205 | 70% | 0.698 | S | S | * | * | | | trans | -157 | 0 | 163.9 | -81.3 | 88.8 | 0 | 0 | 0 | 108.7 | | |