| 1 | M | 64.4 | Low | 85.2 | Confident | 214 Ų | 214 | 126.8 Ų | 126.8 | 100% | 1.054 | 65% | 0.645 | S | S | * | * | | | | 0 | -22.8 | 0 | -52.9 | -45.4 | -174.7 | 0 | 0 | 115.1 | | |
| 2 | K | 68.9 | Low | 85.4 | Confident | 165 Ų | 165 | 124.4 Ų | 124.4 | 72% | 0.717 | 63% | 0.634 | S | S | * | * | | | trans | -85.8 | -28.2 | -179 | 12.6 | 176.2 | 171.8 | -179.7 | 0 | 115.2 | F4 F6 | K2-F4 PolarHBondContact O-N 3.41Å; K2-F4 VanDerWaalsContact C-N 3.32Å; K2-F6 WeakPolarHBondContact O-CD2 3.49Å |
| 3 | F | 81.3 | Confident | 85.7 | Confident | 166 Ų | 166 | 123.2 Ų | 123.2 | 73% | 0.728 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.1 | -23 | -176.5 | -66 | -76.1 | 0 | 0 | 0 | 114.3 | V5 F6 A7 | F3-V5 VanDerWaalsContact C-N 3.33Å; F3-V5 PolarHBondContact O-N 3.48Å; F3-F6 PolarHBondContact O-N 2.98Å; F3-A7 PolarHBondContact O-N 3.38Å |
| 4 | F | 86.1 | Confident | 85.5 | Confident | 174 Ų | 174 | 123.9 Ų | 123.9 | 76% | 0.763 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.7 | -36.3 | -178.7 | -115.8 | -86.3 | 0 | 0 | 0 | 112.6 | K2 A7 L8 | K2-F4 PolarHBondContact O-N 3.41Å; K2-F4 VanDerWaalsContact C-N 3.32Å; F4-A7 PolarHBondContact O-N 3.09Å; F4-L8 WeakPolarHBondContact O-CB 3.41Å; F4-L8 PolarHBondContact O-N 3.34Å |
| 5 | V | 89.5 | Confident | 85.2 | Confident | 86 Ų | 86 | 121.5 Ų | 121.5 | 52% | 0.521 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.2 | -42.3 | 179.1 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | F3 L8 I9 | F3-V5 VanDerWaalsContact C-N 3.33Å; F3-V5 PolarHBondContact O-N 3.48Å; V5-L8 WeakPolarHBondContact O-CB 3.38Å; V5-L8 PolarHBondContact O-N 3.04Å; V5-I9 WeakPolarHBondContact O-CG1 3.29Å; V5-I9 PolarHBondContact O-N 3.31Å; V5-I9 VanDerWaalsContact O-CG1 3.29Å; V5-I9 WeakPolarHBondContact O-CD1 3.46Å; V5-I9 HydrophobicContact CG1-CD1 3.96Å |
| 6 | F | 89.6 | Confident | 84.7 | Confident | 137 Ų | 137 | 121.6 Ų | 121.6 | 60% | 0.601 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.2 | -43.4 | 175.7 | -72.1 | -79 | 0 | 0 | 0 | 112 | K2 F3 L8 I9 L10 | K2-F6 WeakPolarHBondContact O-CD2 3.49Å; F3-F6 PolarHBondContact O-N 2.98Å; F6-L8 VanDerWaalsContact C-N 3.31Å; F6-L8 PolarHBondContact O-N 3Å; F6-I9 PolarHBondContact O-N 2.93Å; F6-L10 WeakPolarHBondContact O-CB 3.41Å; F6-L10 VanDerWaalsContact O-CG 3.29Å; F6-L10 WeakPolarHBondContact O-CG 3.29Å; F6-L10 PolarHBondContact O-N 3.38Å |
| 7 | A | 91.9 | Very high | 83.9 | Confident | 56 Ų | 56 | 120.4 Ų | 120.4 | 46% | 0.463 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -61.2 | -40 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F3 F4 L10 A11 | F3-A7 PolarHBondContact O-N 3.38Å; F4-A7 PolarHBondContact O-N 3.09Å; A7-L10 PolarHBondContact O-N 3.44Å; A7-A11 VanDerWaalsContact O-CB 3.26Å; A7-A11 WeakPolarHBondContact O-CB 3.26Å; A7-A11 PolarHBondContact O-N 3.43Å |
| 8 | L | 91.4 | Very high | 82.6 | Confident | 125 Ų | 125 | 116.3 Ų | 116.3 | 65% | 0.654 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63 | -45.2 | 177 | -176.2 | 68.7 | 0 | 0 | 0 | 111.9 | F4 V5 F6 A11 L12 | F4-L8 WeakPolarHBondContact O-CB 3.41Å; F4-L8 PolarHBondContact O-N 3.34Å; V5-L8 WeakPolarHBondContact O-CB 3.38Å; V5-L8 PolarHBondContact O-N 3.04Å; F6-L8 VanDerWaalsContact C-N 3.31Å; F6-L8 PolarHBondContact O-N 3Å; L8-A11 PolarHBondContact O-N 3.48Å; L8-L12 PolarHBondContact O-N 3.44Å; L8-L12 WeakPolarHBondContact O-CB 3.5Å |
| 9 | I | 92 | Very high | 81.3 | Confident | 89 Ų | 89 | 114.1 Ų | 114.1 | 46% | 0.456 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.5 | -43.6 | 178.9 | -65.1 | 162.9 | 0 | 0 | 0 | 110.9 | V5 F6 L12 M13 | V5-I9 WeakPolarHBondContact O-CG1 3.29Å; V5-I9 PolarHBondContact O-N 3.31Å; V5-I9 VanDerWaalsContact O-CG1 3.29Å; V5-I9 WeakPolarHBondContact O-CD1 3.46Å; V5-I9 HydrophobicContact CG1-CD1 3.96Å; F6-I9 PolarHBondContact O-N 2.93Å; I9-L12 PolarHBondContact O-N 3.41Å; I9-M13 WeakPolarHBondContact O-CG 3.38Å; I9-M13 PolarHBondContact O-N 3.06Å; I9-M13 VanDerWaalsContact O-N 3.09Å |
| 10 | L | 90.9 | Very high | 80.1 | Confident | 125 Ų | 125 | 114.6 Ų | 114.6 | 65% | 0.654 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65 | -42.2 | 177.9 | -71 | 171.3 | 0 | 0 | 0 | 112 | F6 A7 L12 M13 L14 | F6-L10 WeakPolarHBondContact O-CB 3.41Å; F6-L10 VanDerWaalsContact O-CG 3.29Å; F6-L10 WeakPolarHBondContact O-CG 3.29Å; F6-L10 PolarHBondContact O-N 3.38Å; A7-L10 PolarHBondContact O-N 3.44Å; L10-L12 VanDerWaalsContact C-N 3.35Å; L10-M13 PolarHBondContact O-N 2.91Å; L10-L14 WeakPolarHBondContact O-CB 3.42Å; L10-L14 PolarHBondContact O-N 3.05Å |
| 11 | A | 90.9 | Very high | 78.9 | Confident | 58 Ų | 58 | 113 Ų | 113 | 48% | 0.479 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.8 | -39.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A7 L8 L14 S15 | A7-A11 VanDerWaalsContact O-CB 3.26Å; A7-A11 WeakPolarHBondContact O-CB 3.26Å; A7-A11 PolarHBondContact O-N 3.43Å; L8-A11 PolarHBondContact O-N 3.48Å; A11-L14 PolarHBondContact O-N 3.21Å; A11-S15 WeakPolarHBondContact O-CB 3.39Å; A11-S15 PolarHBondContact O-N 3.39Å |
| 12 | L | 88.4 | Confident | 78.5 | Confident | 98 Ų | 98 | 109.3 Ų | 109.3 | 51% | 0.513 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.1 | -46.8 | 176.7 | -173.7 | 68.3 | 0 | 0 | 0 | 111.7 | L8 I9 L10 S15 M16 | L8-L12 PolarHBondContact O-N 3.44Å; L8-L12 WeakPolarHBondContact O-CB 3.5Å; I9-L12 PolarHBondContact O-N 3.41Å; L10-L12 VanDerWaalsContact C-N 3.35Å; L12-S15 PolarHBondContact O-N 2.95Å; L12-M16 PolarHBondContact O-N 3.43Å |
| 13 | M | 88.7 | Confident | 77.7 | Confident | 109 Ų | 109 | 104 Ų | 104 | 54% | 0.537 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.2 | -41 | 177.4 | -71 | -71.1 | 143.2 | 0 | 0 | 112.4 | I9 L10 M16 T17 | I9-M13 WeakPolarHBondContact O-CG 3.38Å; I9-M13 PolarHBondContact O-N 3.06Å; I9-M13 VanDerWaalsContact O-N 3.09Å; L10-M13 PolarHBondContact O-N 2.91Å; M13-M16 PolarHBondContact O-N 3.49Å; M13-T17 PolarHBondContact O-N 2.99Å; M13-T17 PolarHBondContact O-OG1 2.8Å |
| 14 | L | 83.7 | Confident | 76.3 | Confident | 132 Ų | 132 | 105.1 Ų | 105.1 | 69% | 0.691 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66 | -38.4 | 177.7 | -171.9 | 64 | 0 | 0 | 0 | 111.9 | L10 A11 M16 T17 G18 | L10-L14 WeakPolarHBondContact O-CB 3.42Å; L10-L14 PolarHBondContact O-N 3.05Å; A11-L14 PolarHBondContact O-N 3.21Å; L14-M16 VanDerWaalsContact C-N 3.33Å; L14-M16 PolarHBondContact O-N 3.47Å; L14-T17 PolarHBondContact O-N 3.35Å; L14-G18 PolarHBondContact O-N 3.05Å |
| 15 | S | 79.8 | Confident | 74.8 | Confident | 88 Ų | 88 | 103.9 Ų | 103.9 | 62% | 0.615 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.3 | -36 | 176 | -170.6 | 0 | 0 | 0 | 0 | 112.7 | A11 L12 | A11-S15 WeakPolarHBondContact O-CB 3.39Å; A11-S15 PolarHBondContact O-N 3.39Å; L12-S15 PolarHBondContact O-N 2.95Å |
| 16 | M | 77.7 | Confident | 73.1 | Confident | 123 Ų | 123 | 108.3 Ų | 108.3 | 61% | 0.606 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -73.1 | -37 | 175.7 | -70.1 | 177.4 | 164.9 | 0 | 0 | 111.9 | L12 M13 L14 A19 | L12-M16 PolarHBondContact O-N 3.43Å; M13-M16 PolarHBondContact O-N 3.49Å; L14-M16 VanDerWaalsContact C-N 3.33Å; L14-M16 PolarHBondContact O-N 3.47Å; M16-A19 PolarHBondContact O-N 3.31Å |
| 17 | T | 70.8 | Confident | 71.4 | Confident | 102 Ų | 102 | 109.7 Ų | 109.7 | 63% | 0.626 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72.3 | -31.5 | -178.5 | -52.2 | 0 | 0 | 0 | 0 | 112.7 | M13 L14 | M13-T17 PolarHBondContact O-N 2.99Å; M13-T17 PolarHBondContact O-OG1 2.8Å; L14-T17 PolarHBondContact O-N 3.35Å |
| 18 | G | 61.7 | Low | 69.5 | Low | 46 Ų | 46 | 115.9 Ų | 115.9 | 47% | 0.474 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -77.8 | -22.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L14 S21 | L14-G18 PolarHBondContact O-N 3.05Å; G18-S21 PolarHBondContact O-OG 3.49Å |
| 19 | A | 57.9 | Low | 67.8 | Low | 75 Ų | 75 | 114.9 Ų | 114.9 | 62% | 0.62 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -76.9 | -23.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | M16 | M16-A19 PolarHBondContact O-N 3.31Å |
| 20 | D | 57.4 | Low | 66.1 | Low | 123 Ų | 123 | 118.8 Ų | 118.8 | 66% | 0.658 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -91.4 | -10.5 | -178.2 | -136.4 | -3.6 | 0 | 0 | 0 | 113.2 | H22 | D20-H22 VanDerWaalsContact C-N 3.26Å; D20-H22 PolarHBondContact O-N 3.46Å |
| 21 | S | 53.2 | Low | 64.3 | Low | 82 Ų | 82 | 125.2 Ų | 125.2 | 57% | 0.573 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -74.9 | -18.9 | 174.4 | 87.1 | 0 | 0 | 0 | 0 | 112.6 | G18 A23 | G18-S21 PolarHBondContact O-OG 3.49Å; S21-A23 VanDerWaalsContact C-N 3.32Å |
| 22 | H | 55.9 | Low | 62.6 | Low | 136 Ų | 136 | 124.9 Ų | 124.9 | 63% | 0.63 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -88.2 | 3.6 | 178.1 | -126.2 | -96.3 | 0 | 0 | 0 | 114.1 | D20 | D20-H22 VanDerWaalsContact C-N 3.26Å; D20-H22 PolarHBondContact O-N 3.46Å |
| 23 | A | 52.5 | Low | 60.9 | Low | 55 Ų | 55 | 130.5 Ų | 130.5 | 46% | 0.455 | 68% | 0.68 | S | S | . | * | G | 310 helix | trans | -86.4 | -7.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S21 | S21-A23 VanDerWaalsContact C-N 3.32Š|
| 24 | K | 52.9 | Low | 59.2 | Low | 188 Ų | 188 | 135.5 Ų | 135.5 | 82% | 0.817 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -98.6 | -6.2 | -178 | -72.8 | -168.4 | 179.2 | -177.8 | 0 | 115.8 | | |
| 25 | E | 53.6 | Low | 57.6 | Low | 148 Ų | 148 | 134.6 Ų | 134.6 | 69% | 0.692 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -104 | -7.3 | -177.1 | -153.5 | 170.8 | -167.8 | 0 | 0 | 114.3 | | |
| 26 | K | 54.4 | Low | 56.6 | Low | 180 Ų | 180 | 136.5 Ų | 136.5 | 78% | 0.783 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -107.1 | 4.6 | -176.6 | -102.7 | -174.9 | 179 | -173.7 | 0 | 116.7 | | |
| 27 | H | 53.7 | Low | 55.8 | Low | 166 Ų | 166 | 140 Ų | 140 | 77% | 0.769 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -96.1 | 1.5 | 174.7 | -77.4 | -91.1 | 0 | 0 | 0 | 114.6 | | |
| 28 | H | 52 | Low | 55.1 | Low | 186 Ų | 186 | 142.5 Ų | 142.5 | 86% | 0.861 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -116.4 | 7.3 | 179.4 | -79.6 | -122.9 | 0 | 0 | 0 | 114.4 | | |
| 29 | S | 56 | Low | 54.4 | Low | 104 Ų | 104 | 151 Ų | 151 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -130.7 | 44.8 | -177.4 | -157.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 30 | H | 55.1 | Low | 53.8 | Low | 170 Ų | 170 | 154.3 Ų | 154.3 | 79% | 0.787 | 74% | 0.744 | S | S | * | * | | | trans | -144.8 | 51.4 | 168 | -152.3 | 75.5 | 0 | 0 | 0 | 113.7 | | |
| 31 | R | 54.8 | Low | 53.3 | Low | 261 Ų | 261 | 158.7 Ų | 158.7 | 99% | 0.985 | 77% | 0.767 | S | S | * | * | | | trans | -113.3 | 57.6 | 143 | -87.5 | -174.9 | 172.2 | 169 | -2.1 | 108.4 | | |
| 32 | G | 55 | Low | 53.3 | Low | 50 Ų | 50 | 162.6 Ų | 162.6 | 52% | 0.515 | 78% | 0.777 | S | S | . | * | | | trans | -74.9 | 133.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 33 | Y | 52.8 | Low | 53.2 | Low | 217 Ų | 217 | 163.9 Ų | 163.9 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 73.4 | 109 | 152.7 | -85.1 | -102 | 0 | 0 | 0 | 119.4 | | |
| 34 | R | 53.4 | Low | 53.2 | Low | 213 Ų | 213 | 170 Ų | 170 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | | 75.6 | 93.3 | 120.7 | -165.7 | -178.3 | -175.1 | -154 | 1.9 | 116.5 | | |
| 35 | S | 49.5 | Very low | 53.3 | Low | 113 Ų | 113 | 168.9 Ų | 168.9 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | | | trans | -133.1 | 77.3 | 133.1 | -161.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 36 | N | 59 | Low | 53.2 | Low | 129 Ų | 129 | 170.3 Ų | 170.3 | 69% | 0.69 | 81% | 0.809 | S | S | * | * | | | trans | -67.1 | 146.7 | 148.1 | -90.1 | -51.8 | 0 | 0 | 0 | 106.4 | | |
| 37 | Y | 60.1 | Low | 53.2 | Low | 195 Ų | 195 | 169.6 Ų | 169.6 | 77% | 0.765 | 81% | 0.811 | S | S | * | * | S | Bend | trans | 79.5 | 92.5 | -175.8 | -37.6 | -70.3 | 0 | 0 | 0 | 114.6 | | |
| 38 | L | 56.7 | Low | 53.1 | Low | 156 Ų | 156 | 169.9 Ų | 169.9 | 82% | 0.817 | 81% | 0.814 | S | S | * | * | | | trans | 161.7 | 63.4 | 140.1 | -105.4 | 80.4 | 0 | 0 | 0 | 111.2 | | |
| 39 | Y | 46 | Very low | 53.2 | Low | 225 Ų | 225 | 168.6 Ų | 168.6 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | | | trans | -155.5 | 60.9 | 156.1 | -157.1 | -79.9 | 0 | 0 | 0 | 103.2 | N41 | Y39-N41 VanDerWaalsContact C-N 3.33Š|
| 40 | D | 45.2 | Very low | 53 | Low | 144 Ų | 144 | 174 Ų | 174 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | | | | 41.3 | 55.2 | 51.9 | -140.4 | -88.1 | 0 | 0 | 0 | 112.3 | | |
| 41 | N | 48.4 | Very low | 52.8 | Low | 215 Ų | 215 | 174.4 Ų | 174.4 | 100% | 1.15 | 82% | 0.82 | S | S | * | * | | | | 172.7 | 0 | 104.6 | -156.3 | 6.8 | 0 | 0 | 0 | 108.8 | Y39 | Y39-N41 VanDerWaalsContact C-N 3.33Š|