| 1 | M | 66.7 | Low | 85.9 | Confident | 197 Ų | 197 | 112 Ų | 112 | 97% | 0.97 | 63% | 0.626 | S | S | * | * | | | | 0 | -20.9 | 0 | -92.4 | 89.8 | 153.1 | 0 | 0 | 114.9 | | |
| 2 | G | 80.8 | Confident | 85.9 | Confident | 51 Ų | 51 | 107.2 Ų | 107.2 | 53% | 0.526 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.1 | -41.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | V4 K5 A6 | G2-V4 PolarHBondContact O-N 3.5Å; G2-V4 VanDerWaalsContact C-N 3.33Å; G2-K5 VanDerWaalsContact O-N 3.16Å; G2-K5 PolarHBondContact O-N 3.07Å; G2-A6 PolarHBondContact O-N 3.02Å; G2-A6 VanDerWaalsContact O-N 3.12Å |
| 3 | D | 83.3 | Confident | 85.9 | Confident | 128 Ų | 128 | 101.7 Ų | 101.7 | 68% | 0.684 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66 | -36.4 | -176.5 | -46.7 | -68.5 | 0 | 0 | 0 | 112.3 | K5 A6 L7 | D3-K5 VanDerWaalsContact C-N 3.34Å; D3-K5 PolarHBondContact O-N 3.43Å; D3-A6 PolarHBondContact O-N 2.89Å; D3-L7 WeakPolarHBondContact O-CG 3.39Å; D3-L7 PolarHBondContact O-N 3.31Å |
| 4 | V | 88.3 | Confident | 85.9 | Confident | 91 Ų | 91 | 106.7 Ų | 106.7 | 55% | 0.552 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.3 | -41.5 | 175.6 | -179.6 | 0 | 0 | 0 | 0 | 111 | G2 L7 L8 | G2-V4 PolarHBondContact O-N 3.5Å; G2-V4 VanDerWaalsContact C-N 3.33Å; V4-L7 PolarHBondContact O-N 3.19Å; V4-L8 HydrophobicContact CG1-CD1 4.4Å; V4-L8 WeakPolarHBondContact O-CG 3.15Å; V4-L8 PolarHBondContact O-N 3.2Å; V4-L8 VanDerWaalsContact O-N 3.13Å |
| 5 | K | 83.1 | Confident | 85.8 | Confident | 157 Ų | 157 | 103.5 Ų | 103.5 | 68% | 0.683 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.1 | -39.2 | 177.4 | -68.1 | -178.3 | 179 | -179.7 | 0 | 111.6 | G2 D3 L8 F9 | G2-K5 VanDerWaalsContact O-N 3.16Å; G2-K5 PolarHBondContact O-N 3.07Å; D3-K5 VanDerWaalsContact C-N 3.34Å; D3-K5 PolarHBondContact O-N 3.43Å; K5-L8 PolarHBondContact O-N 3.39Å; K5-F9 VanDerWaalsContact O-N 3.08Å; K5-F9 PolarHBondContact O-N 3.12Å |
| 6 | A | 91.4 | Very high | 85.4 | Confident | 57 Ų | 57 | 109.8 Ų | 109.8 | 47% | 0.471 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.1 | -43.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | G2 D3 L8 F9 V10 | G2-A6 PolarHBondContact O-N 3.02Å; G2-A6 VanDerWaalsContact O-N 3.12Å; D3-A6 PolarHBondContact O-N 2.89Å; A6-L8 PolarHBondContact O-N 3.28Å; A6-F9 PolarHBondContact O-N 3.01Å; A6-V10 WeakPolarHBondContact O-CG2 3.35Å; A6-V10 PolarHBondContact O-N 3Å |
| 7 | L | 92.2 | Very high | 85 | Confident | 126 Ų | 126 | 116.4 Ų | 116.4 | 66% | 0.66 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -60.9 | -44 | 176.2 | -73.2 | 170.2 | 0 | 0 | 0 | 112.3 | D3 V4 F9 V10 A11 | D3-L7 WeakPolarHBondContact O-CG 3.39Å; D3-L7 PolarHBondContact O-N 3.31Å; V4-L7 PolarHBondContact O-N 3.19Å; L7-F9 PolarHBondContact O-N 2.99Å; L7-V10 PolarHBondContact O-N 3.4Å; L7-A11 PolarHBondContact O-N 3.37Å; L7-A11 WeakPolarHBondContact O-CB 3.44Å |
| 8 | L | 90.6 | Very high | 84.7 | Confident | 117 Ų | 117 | 117.4 Ų | 117.4 | 61% | 0.613 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63 | -40.5 | 177 | -70.5 | 172.8 | 0 | 0 | 0 | 112.3 | V4 K5 A6 A11 A12 | V4-L8 HydrophobicContact CG1-CD1 4.4Å; V4-L8 WeakPolarHBondContact O-CG 3.15Å; V4-L8 PolarHBondContact O-N 3.2Å; V4-L8 VanDerWaalsContact O-N 3.13Å; K5-L8 PolarHBondContact O-N 3.39Å; A6-L8 PolarHBondContact O-N 3.28Å; L8-A11 PolarHBondContact O-N 3.47Å; L8-A12 WeakPolarHBondContact O-CB 3.33Å; L8-A12 PolarHBondContact O-N 3.49Å |
| 9 | F | 90 | Very high | 84 | Confident | 156 Ų | 156 | 114.4 Ų | 114.4 | 68% | 0.684 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.2 | -44.7 | 177.3 | -176.2 | -96.3 | 0 | 0 | 0 | 112.1 | K5 A6 L7 A12 A13 | K5-F9 VanDerWaalsContact O-N 3.08Å; K5-F9 PolarHBondContact O-N 3.12Å; A6-F9 PolarHBondContact O-N 3.01Å; L7-F9 PolarHBondContact O-N 2.99Å; F9-A12 PolarHBondContact O-N 2.94Å; F9-A13 WeakPolarHBondContact O-CB 3.42Å; F9-A13 PolarHBondContact O-N 2.88Å |
| 10 | V | 90.9 | Very high | 82.7 | Confident | 95 Ų | 95 | 111.1 Ų | 111.1 | 58% | 0.576 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.8 | -42.1 | 177.5 | 173.3 | 0 | 0 | 0 | 0 | 111 | A6 L7 A13 R14 | A6-V10 WeakPolarHBondContact O-CG2 3.35Å; A6-V10 PolarHBondContact O-N 3Å; L7-V10 PolarHBondContact O-N 3.4Å; V10-A13 PolarHBondContact O-N 3.31Å; V10-R14 WeakPolarHBondContact O-CB 3.44Å; V10-R14 PolarHBondContact O-N 2.92Å |
| 11 | A | 87.8 | Confident | 81.4 | Confident | 57 Ų | 57 | 111 Ų | 111 | 47% | 0.471 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -61.6 | -45.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L7 L8 R14 A15 | L7-A11 PolarHBondContact O-N 3.37Å; L7-A11 WeakPolarHBondContact O-CB 3.44Å; L8-A11 PolarHBondContact O-N 3.47Å; A11-R14 PolarHBondContact O-N 2.94Å; A11-A15 WeakPolarHBondContact O-CB 3.37Å; A11-A15 PolarHBondContact O-N 3.4Å |
| 12 | A | 85.2 | Confident | 81 | Confident | 54 Ų | 54 | 106.1 Ų | 106.1 | 45% | 0.446 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -63.4 | -43 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L8 F9 R14 A15 R16 | L8-A12 WeakPolarHBondContact O-CB 3.33Å; L8-A12 PolarHBondContact O-N 3.49Å; F9-A12 PolarHBondContact O-N 2.94Å; A12-R14 VanDerWaalsContact C-N 3.33Å; A12-R14 PolarHBondContact O-N 3.45Å; A12-A15 PolarHBondContact O-N 2.92Å; A12-R16 WeakPolarHBondContact O-CG 3.36Å; A12-R16 PolarHBondContact O-N 3.04Å |
| 13 | A | 86.4 | Confident | 80 | Confident | 36 Ų | 36 | 108.1 Ų | 108.1 | 30% | 0.298 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.7 | -38.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | F9 V10 R17 | F9-A13 WeakPolarHBondContact O-CB 3.42Å; F9-A13 PolarHBondContact O-N 2.88Å; V10-A13 PolarHBondContact O-N 3.31Å; A13-R17 PolarHBondContact O-N 3.48Å |
| 14 | R | 86.6 | Confident | 78.7 | Confident | 172 Ų | 172 | 108 Ų | 108 | 65% | 0.649 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.9 | -41.3 | 176.2 | -170 | 176.3 | -176 | -165.5 | -0.4 | 111.8 | V10 A11 A12 R16 R17 L18 | V10-R14 WeakPolarHBondContact O-CB 3.44Å; V10-R14 PolarHBondContact O-N 2.92Å; A11-R14 PolarHBondContact O-N 2.94Å; A12-R14 VanDerWaalsContact C-N 3.33Å; A12-R14 PolarHBondContact O-N 3.45Å; R14-R16 PolarHBondContact O-N 3.38Å; R14-R17 PolarHBondContact O-N 3.3Å; R14-L18 HydrophobicContact CG-CD1 3.74Å; R14-L18 HydrophobicContact CG-CG 4.23Å; R14-L18 WeakPolarHBondContact O-CB 3.37Å; R14-L18 WeakPolarHBondContact O-CG 3.34Å; R14-L18 PolarHBondContact O-N 3.48Å |
| 15 | A | 83.9 | Confident | 77 | Confident | 59 Ų | 59 | 112.3 Ų | 112.3 | 49% | 0.488 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -61.7 | -41.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A11 A12 R17 L18 G19 G20 | A11-A15 WeakPolarHBondContact O-CB 3.37Å; A11-A15 PolarHBondContact O-N 3.4Å; A12-A15 PolarHBondContact O-N 2.92Å; A15-R17 VanDerWaalsContact C-N 3.31Å; A15-R17 PolarHBondContact O-N 3.08Å; A15-L18 PolarHBondContact O-N 3.13Å; A15-G19 PolarHBondContact O-N 3.43Å; A15-G20 PolarHBondContact O-N 3.38Å; A15-G20 VanDerWaalsContact O-N 3.12Å |
| 16 | R | 79.4 | Confident | 75.6 | Confident | 204 Ų | 204 | 110.2 Ų | 110.2 | 77% | 0.77 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -56.7 | -43.2 | 172.5 | -77.1 | 177.6 | 167.2 | 175.1 | -3.5 | 112.4 | A12 R14 G20 | A12-R16 WeakPolarHBondContact O-CG 3.36Å; A12-R16 PolarHBondContact O-N 3.04Å; R14-R16 PolarHBondContact O-N 3.38Å; R16-G20 PolarHBondContact O-N 3.16Å |
| 17 | R | 77.7 | Confident | 73.8 | Confident | 222 Ų | 222 | 113.9 Ų | 113.9 | 84% | 0.838 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -73.2 | -34 | 178.8 | -77.1 | -167.9 | 157.3 | 117.7 | 0 | 114.4 | A13 R14 A15 | A13-R17 PolarHBondContact O-N 3.48Å; R14-R17 PolarHBondContact O-N 3.3Å; A15-R17 VanDerWaalsContact C-N 3.31Å; A15-R17 PolarHBondContact O-N 3.08Å |
| 18 | L | 79.6 | Confident | 72.4 | Confident | 134 Ų | 134 | 111.8 Ų | 111.8 | 70% | 0.702 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -87.1 | -18.7 | -176.2 | -68.4 | 177.6 | 0 | 0 | 0 | 113.7 | R14 A15 | R14-L18 HydrophobicContact CG-CD1 3.74Å; R14-L18 HydrophobicContact CG-CG 4.23Å; R14-L18 WeakPolarHBondContact O-CB 3.37Å; R14-L18 WeakPolarHBondContact O-CG 3.34Å; R14-L18 PolarHBondContact O-N 3.48Å; A15-L18 PolarHBondContact O-N 3.13Å |
| 19 | G | 71.7 | Confident | 70.6 | Confident | 60 Ų | 60 | 109.2 Ų | 109.2 | 62% | 0.619 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | 174.5 | 22.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | A15 A21 | A15-G19 PolarHBondContact O-N 3.43Å; G19-A21 PolarHBondContact O-N 3.12Å |
| 20 | G | 58.6 | Low | 69.1 | Low | 49 Ų | 49 | 106.8 Ų | 106.8 | 51% | 0.505 | 68% | 0.68 | S | S | . | * | | | trans | -82.6 | 44 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A15 R16 A22 | A15-G20 PolarHBondContact O-N 3.38Å; A15-G20 VanDerWaalsContact O-N 3.12Å; R16-G20 PolarHBondContact O-N 3.16Å; G20-A22 VanDerWaalsContact C-N 3.33Å |
| 21 | A | 56.1 | Low | 67.3 | Low | 108 Ų | 108 | 111.2 Ų | 111.2 | 89% | 0.893 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -89.5 | 7.4 | 167 | 0 | 0 | 0 | 0 | 0 | 112.9 | G19 | G19-A21 PolarHBondContact O-N 3.12Š|
| 22 | A | 57 | Low | 65.9 | Low | 95 Ų | 95 | 112.4 Ų | 112.4 | 79% | 0.785 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -126.9 | 15 | -166.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | G20 | G20-A22 VanDerWaalsContact C-N 3.33Š|
| 23 | A | 59.7 | Low | 64.9 | Low | 93 Ų | 93 | 114.7 Ų | 114.7 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -147.6 | 92.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 24 | S | 56.7 | Low | 63.6 | Low | 127 Ų | 127 | 118 Ų | 118 | 89% | 0.888 | 74% | 0.744 | S | S | * | * | | | trans | 67 | 129.8 | 151.7 | -64.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 25 | E | 51.9 | Low | 62.4 | Low | 181 Ų | 181 | 115.4 Ų | 115.4 | 85% | 0.846 | 75% | 0.749 | S | S | * | * | | | trans | -51.4 | 152.1 | 178.2 | -62.1 | -179.6 | 137 | 0 | 0 | 113.8 | S27 | E25-S27 PolarHBondContact O-N 3.27Š|
| 26 | P | 54.1 | Low | 61.4 | Low | 112 Ų | 112 | 121.8 Ų | 121.8 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | trans | -74.7 | 118.8 | 168.7 | 31.7 | -29.9 | 0 | 0 | 0 | 109 | A28 | P26-A28 HydrophobicContact CB-CB 4.09Å; P26-A28 PolarHBondContact O-N 3.46Å |
| 27 | S | 54.5 | Low | 60.9 | Low | 135 Ų | 135 | 117.2 Ų | 117.2 | 94% | 0.944 | 77% | 0.765 | S | S | * | * | | | trans | -80.5 | 74.9 | 153.1 | -165.5 | 0 | 0 | 0 | 0 | 107.4 | E25 | E25-S27 PolarHBondContact O-N 3.27Š|
| 28 | A | 61.9 | Low | 60.1 | Low | 82 Ų | 82 | 113 Ų | 113 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | | | trans | -112.3 | 102.7 | 171 | 0 | 0 | 0 | 0 | 0 | 107.7 | P26 | P26-A28 HydrophobicContact CB-CB 4.09Å; P26-A28 PolarHBondContact O-N 3.46Å |
| 29 | G | 52.8 | Low | 59.6 | Low | 63 Ų | 63 | 114.8 Ų | 114.8 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | | | trans | 75.2 | 150.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 30 | S | 57.8 | Low | 59.4 | Low | 105 Ų | 105 | 116 Ų | 116 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | cis | -164.6 | 149.2 | 13 | -79.6 | 0 | 0 | 0 | 0 | 106.6 | | |
| 31 | E | 54.3 | Low | 59.7 | Low | 188 Ų | 188 | 119.2 Ų | 119.2 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | | | trans | 44.7 | 122.8 | 143 | -56.4 | -170.7 | 111.6 | 0 | 0 | 118.1 | | |
| 32 | A | 59.2 | Low | 60 | Low | 81 Ų | 81 | 120 Ų | 120 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | | | | -157.1 | 130.1 | 58.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S34 | A32-S34 VanDerWaalsContact C-N 3.28Å; A32-S34 PolarHBondContact O-N 2.97Å; A32-S34 VanDerWaalsContact O-N 3.07Å |
| 33 | A | 63.7 | Low | 60.3 | Low | 102 Ų | 102 | 119 Ų | 119 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | | | trans | -65.1 | 98.4 | 145 | 0 | 0 | 0 | 0 | 0 | 106.8 | P35 | A33-P35 WeakPolarHBondContact O-CD 3.34Š|
| 34 | S | 58.4 | Low | 60 | Low | 107 Ų | 107 | 123.3 Ų | 123.3 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | | | trans | -87.2 | 102.9 | 160.2 | -72.3 | 0 | 0 | 0 | 0 | 107.6 | A32 K36 | A32-S34 VanDerWaalsContact C-N 3.28Å; A32-S34 PolarHBondContact O-N 2.97Å; A32-S34 VanDerWaalsContact O-N 3.07Å; S34-K36 PolarHBondContact O-N 3.45Å |
| 35 | P | 60.8 | Low | 60.1 | Low | 116 Ų | 116 | 123.2 Ų | 123.2 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | | | trans | -71.7 | 132.2 | 172.8 | 29.5 | -32.5 | 0 | 0 | 0 | 110.3 | A33 | A33-P35 WeakPolarHBondContact O-CD 3.34Š|
| 36 | K | 63 | Low | 60.6 | Low | 193 Ų | 193 | 120.1 Ų | 120.1 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | | | trans | 68.8 | 110.1 | 157.7 | -75.2 | 179.9 | 176.7 | 165.5 | 0 | 119.4 | S34 | S34-K36 PolarHBondContact O-N 3.45Š|
| 37 | S | 68.8 | Low | 60.9 | Low | 109 Ų | 109 | 120.6 Ų | 120.6 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | | | trans | -34.7 | 126.3 | 139.1 | 176 | 0 | 0 | 0 | 0 | 112.8 | | |
| 38 | V | 61.8 | Low | 61.3 | Low | 133 Ų | 133 | 119.7 Ų | 119.7 | 81% | 0.806 | 81% | 0.811 | S | S | * | * | | | trans | -132.6 | 97.8 | 149.1 | -175.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 39 | Q | 68.5 | Low | 61.3 | Low | 171 Ų | 171 | 122.1 Ų | 122.1 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | | | trans | -70.8 | 124.2 | 161.6 | 178.1 | 179.5 | 6.8 | 0 | 0 | 108.2 | | |
| 40 | A | 67.2 | Low | 61.8 | Low | 85 Ų | 85 | 126 Ų | 126 | 70% | 0.702 | 83% | 0.83 | S | S | * | * | | | trans | -128.4 | 118.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 41 | P | 65.3 | Low | 62.1 | Low | 118 Ų | 118 | 127.5 Ų | 127.5 | 77% | 0.766 | 84% | 0.837 | S | S | * | * | | | trans | -80.2 | 134 | 167 | 32.8 | -27.6 | 0 | 0 | 0 | 107.8 | | |
| 42 | S | 62.9 | Low | 62.7 | Low | 124 Ų | 124 | 122.8 Ų | 122.8 | 87% | 0.867 | 83% | 0.834 | S | S | * | * | | | trans | -143.2 | 100.5 | 159.4 | -161.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 43 | G | 62.5 | Low | 63 | Low | 75 Ų | 75 | 126.3 Ų | 126.3 | 77% | 0.773 | 85% | 0.848 | S | S | * | * | | | trans | -86.2 | 142.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 44 | A | 53.4 | Low | 63 | Low | 183 Ų | 183 | 128.5 Ų | 128.5 | 100% | 1.512 | 85% | 0.848 | S | S | * | * | | | trans | -173.8 | 0 | 145.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |