| 1 | M | 47 | Very low | 65.4 | Low | 195 Ų | 195 | 141.8 Ų | 141.8 | 96% | 0.961 | 66% | 0.658 | S | S | * | * | | | | 0 | -7.2 | 0 | -100 | -90.5 | 174.4 | 0 | 0 | 114 | | |
| 2 | E | 53.3 | Low | 67 | Low | 174 Ų | 174 | 145.3 Ų | 145.3 | 81% | 0.813 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -86.2 | -23.5 | -180 | -58.8 | -165.6 | 98.4 | 0 | 0 | 114 | I4 | E2-I4 PolarHBondContact O-N 3.46Å |
| 3 | I | 59.4 | Low | 68.4 | Low | 139 Ų | 139 | 141.5 Ų | 141.5 | 71% | 0.713 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -72.2 | -26.9 | 179.9 | -57.2 | 169.7 | 0 | 0 | 0 | 112.4 | S6 R7 | I3-S6 PolarHBondContact O-N 3.36Å; I3-S6 PolarHBondContact O-OG 3.24Å; I3-R7 PolarHBondContact O-N 3.43Å |
| 4 | I | 58.4 | Low | 69.8 | Low | 121 Ų | 121 | 142.4 Ų | 142.4 | 62% | 0.621 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -77.2 | -34.8 | -177.6 | -60 | 171.9 | 0 | 0 | 0 | 110.7 | E2 S6 R7 | E2-I4 PolarHBondContact O-N 3.46Å; I4-S6 VanDerWaalsContact C-N 3.28Å; I4-S6 PolarHBondContact O-N 2.81Å; I4-R7 PolarHBondContact O-N 2.9Å |
| 5 | K | 54.3 | Low | 70.9 | Confident | 160 Ų | 160 | 140.1 Ų | 140.1 | 70% | 0.696 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -64.5 | -35.5 | 172.8 | -63.5 | -174.4 | -175 | 178.1 | 0 | 111.2 | Q9 | K5-Q9 WeakPolarHBondContact O-CB 3.4Å; K5-Q9 PolarHBondContact O-N 3.47Å |
| 6 | S | 61.8 | Low | 71.7 | Confident | 53 Ų | 53 | 136.6 Ų | 136.6 | 37% | 0.371 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -69.2 | -35.2 | -179.8 | 80 | 0 | 0 | 0 | 0 | 113.2 | I3 I4 S10 | I3-S6 PolarHBondContact O-N 3.36Å; I3-S6 PolarHBondContact O-OG 3.24Å; I4-S6 VanDerWaalsContact C-N 3.28Å; I4-S6 PolarHBondContact O-N 2.81Å; S6-S10 PolarHBondContact O-N 3.43Å; S6-S10 PolarHBondContact O-OG 2.69Å; S6-S10 WeakPolarHBondContact O-CB 3.33Å |
| 7 | R | 67 | Low | 72.2 | Confident | 201 Ų | 201 | 139.9 Ų | 139.9 | 76% | 0.758 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.3 | -45.9 | 178.9 | -112.9 | -174.2 | -172.1 | -155.3 | 3.4 | 112.8 | I3 I4 S10 F11 | I3-R7 PolarHBondContact O-N 3.43Å; I4-R7 PolarHBondContact O-N 2.9Å; R7-S10 PolarHBondContact O-N 3.45Å; R7-F11 WeakPolarHBondContact O-CB 3.4Å; R7-F11 PolarHBondContact O-N 3.32Å |
| 8 | R | 72.4 | Confident | 72.6 | Confident | 213 Ų | 213 | 135.6 Ų | 135.6 | 80% | 0.804 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.5 | -40.6 | -179.9 | -166.8 | 175.5 | -175.6 | -178.1 | 0.8 | 111.4 | R12 | R8-R12 WeakPolarHBondContact O-CB 3.15Å; R8-R12 PolarHBondContact O-N 3.46Å |
| 9 | Q | 80.4 | Confident | 72.9 | Confident | 129 Ų | 129 | 132.6 Ų | 132.6 | 60% | 0.603 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.1 | -44.4 | 175.6 | -167.8 | 176.1 | 7 | 0 | 0 | 111.7 | K5 F11 R12 L13 | K5-Q9 WeakPolarHBondContact O-CB 3.4Å; K5-Q9 PolarHBondContact O-N 3.47Å; Q9-F11 PolarHBondContact O-N 3.02Å; Q9-R12 PolarHBondContact O-N 2.89Å; Q9-L13 WeakPolarHBondContact O-CB 3.31Å; Q9-L13 VanDerWaalsContact O-CG 3.31Å; Q9-L13 WeakPolarHBondContact O-CG 3.47Å; Q9-L13 PolarHBondContact O-N 3.33Å; Q9-L13 HydrophobicContact CG-CD1 4.33Å |
| 10 | S | 81.6 | Confident | 72.9 | Confident | 51 Ų | 51 | 135.5 Ų | 135.5 | 36% | 0.357 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.4 | -39.3 | 176.6 | -62.3 | 0 | 0 | 0 | 0 | 112.7 | S6 R7 R14 | S6-S10 PolarHBondContact O-N 3.43Å; S6-S10 PolarHBondContact O-OG 2.69Å; S6-S10 WeakPolarHBondContact O-CB 3.33Å; R7-S10 PolarHBondContact O-N 3.45Å; S10-R14 WeakPolarHBondContact O-CG 3.48Å; S10-R14 PolarHBondContact O-N 3.46Å; S10-R14 VanDerWaalsContact O-N 3.08Å |
| 11 | F | 84.2 | Confident | 72.4 | Confident | 124 Ų | 124 | 138 Ų | 138 | 54% | 0.544 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -64.6 | -46.5 | 174.9 | -177.1 | -100.1 | 0 | 0 | 0 | 111.6 | R7 Q9 L13 R14 Q15 | R7-F11 WeakPolarHBondContact O-CB 3.4Å; R7-F11 PolarHBondContact O-N 3.32Å; Q9-F11 PolarHBondContact O-N 3.02Å; F11-L13 PolarHBondContact O-N 2.98Å; F11-R14 PolarHBondContact O-N 3.45Å; F11-Q15 HydrophobicContact CD1-CG 4.32Å; F11-Q15 HydrophobicContact CE1-CG 4.01Å; F11-Q15 HydrophobicContact CZ-CG 4.26Å; F11-Q15 WeakPolarHBondContact O-CG 3.3Å; F11-Q15 PolarHBondContact O-N 3.2Å |
| 12 | R | 84.5 | Confident | 73.1 | Confident | 184 Ų | 184 | 132.5 Ų | 132.5 | 69% | 0.694 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -61 | -41.5 | 176.4 | -170.2 | 175.5 | -176.9 | 174.2 | 1.2 | 112.2 | R8 Q9 Q15 I16 | R8-R12 WeakPolarHBondContact O-CB 3.15Å; R8-R12 PolarHBondContact O-N 3.46Å; Q9-R12 PolarHBondContact O-N 2.89Å; R12-Q15 PolarHBondContact O-N 3.08Å; R12-I16 PolarHBondContact O-N 2.88Å; R12-I16 WeakPolarHBondContact O-CG1 3.13Å; R12-I16 HydrophobicContact CG-CD1 4.07Å; R12-I16 VanDerWaalsContact O-CG1 3.3Å |
| 13 | L | 85.2 | Confident | 73.6 | Confident | 96 Ų | 96 | 131.4 Ų | 131.4 | 50% | 0.503 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.3 | -37.9 | 177 | -73.7 | 172.2 | 0 | 0 | 0 | 112.7 | Q9 F11 I16 R17 | Q9-L13 WeakPolarHBondContact O-CB 3.31Å; Q9-L13 VanDerWaalsContact O-CG 3.31Å; Q9-L13 WeakPolarHBondContact O-CG 3.47Å; Q9-L13 PolarHBondContact O-N 3.33Å; Q9-L13 HydrophobicContact CG-CD1 4.33Å; F11-L13 PolarHBondContact O-N 2.98Å; L13-I16 PolarHBondContact O-N 3.03Å; L13-R17 WeakPolarHBondContact O-CB 3.42Å; L13-R17 PolarHBondContact O-N 2.97Å |
| 14 | R | 87.9 | Confident | 73.6 | Confident | 153 Ų | 153 | 129.3 Ų | 129.3 | 58% | 0.577 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.6 | -43.8 | 173.4 | -79 | -174.3 | -78 | -118.2 | 0.7 | 112 | S10 F11 R17 A18 | S10-R14 WeakPolarHBondContact O-CG 3.48Å; S10-R14 PolarHBondContact O-N 3.46Å; S10-R14 VanDerWaalsContact O-N 3.08Å; F11-R14 PolarHBondContact O-N 3.45Å; R14-R17 PolarHBondContact O-N 3.46Å; R14-A18 PolarHBondContact O-N 3.48Å |
| 15 | Q | 85.6 | Confident | 73.8 | Confident | 108 Ų | 108 | 133 Ų | 133 | 51% | 0.505 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -59.9 | -48 | 175.7 | -69.8 | -104 | -35.1 | 0 | 0 | 111.4 | F11 R12 R17 A18 T19 | F11-Q15 HydrophobicContact CD1-CG 4.32Å; F11-Q15 HydrophobicContact CE1-CG 4.01Å; F11-Q15 HydrophobicContact CZ-CG 4.26Å; F11-Q15 WeakPolarHBondContact O-CG 3.3Å; F11-Q15 PolarHBondContact O-N 3.2Å; R12-Q15 PolarHBondContact O-N 3.08Å; Q15-R17 VanDerWaalsContact C-N 3.34Å; Q15-R17 PolarHBondContact O-N 2.88Å; Q15-A18 PolarHBondContact O-N 3.05Å; Q15-T19 PolarHBondContact O-N 3.17Å; Q15-T19 PolarHBondContact O-OG1 3.21Å; Q15-T19 WeakPolarHBondContact O-CG2 3.37Å |
| 16 | I | 84.3 | Confident | 74.2 | Confident | 85 Ų | 85 | 132 Ų | 132 | 44% | 0.436 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -60.4 | -42.2 | 177 | -67.5 | 164.2 | 0 | 0 | 0 | 111.6 | R12 L13 A18 T19 R20 | R12-I16 PolarHBondContact O-N 2.88Å; R12-I16 WeakPolarHBondContact O-CG1 3.13Å; R12-I16 HydrophobicContact CG-CD1 4.07Å; R12-I16 VanDerWaalsContact O-CG1 3.3Å; L13-I16 PolarHBondContact O-N 3.03Å; I16-A18 VanDerWaalsContact C-N 3.31Å; I16-A18 PolarHBondContact O-N 3.26Å; I16-T19 WeakPolarHBondContact CA-OG1 3.5Å; I16-T19 PolarHBondContact O-N 3.41Å; I16-T19 PolarHBondContact O-OG1 3.25Å; I16-R20 WeakPolarHBondContact O-CB 3.39Å; I16-R20 PolarHBondContact O-N 3.32Å |
| 17 | R | 79.6 | Confident | 74.6 | Confident | 193 Ų | 193 | 134.4 Ų | 134.4 | 73% | 0.728 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.6 | -36.7 | 178.3 | -171.7 | 179.1 | -69.4 | 158.1 | -2.8 | 112 | L13 R14 Q15 | L13-R17 WeakPolarHBondContact O-CB 3.42Å; L13-R17 PolarHBondContact O-N 2.97Å; R14-R17 PolarHBondContact O-N 3.46Å; Q15-R17 VanDerWaalsContact C-N 3.34Å; Q15-R17 PolarHBondContact O-N 2.88Å |
| 18 | A | 79.4 | Confident | 74.7 | Confident | 61 Ų | 61 | 138.8 Ų | 138.8 | 50% | 0.504 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.6 | -47.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R14 Q15 I16 R21 S22 | R14-A18 PolarHBondContact O-N 3.48Å; Q15-A18 PolarHBondContact O-N 3.05Å; I16-A18 VanDerWaalsContact C-N 3.31Å; I16-A18 PolarHBondContact O-N 3.26Å; A18-R21 PolarHBondContact O-N 3.26Å; A18-S22 PolarHBondContact O-N 3.26Å |
| 19 | T | 79.3 | Confident | 74.8 | Confident | 80 Ų | 80 | 135.1 Ų | 135.1 | 49% | 0.491 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -70.2 | -33.5 | -178.8 | 57.1 | 0 | 0 | 0 | 0 | 113 | Q15 I16 R21 S22 H23 | Q15-T19 PolarHBondContact O-N 3.17Å; Q15-T19 PolarHBondContact O-OG1 3.21Å; Q15-T19 WeakPolarHBondContact O-CG2 3.37Å; I16-T19 WeakPolarHBondContact CA-OG1 3.5Å; I16-T19 PolarHBondContact O-N 3.41Å; I16-T19 PolarHBondContact O-OG1 3.25Å; T19-R21 VanDerWaalsContact C-N 3.3Å; T19-R21 PolarHBondContact O-N 3.11Å; T19-S22 WeakPolarHBondContact O-CB 3.45Å; T19-S22 PolarHBondContact O-N 3.35Å; T19-S22 VanDerWaalsContact O-N 3.07Å; T19-H23 PolarHBondContact O-N 3.49Å |
| 20 | R | 72 | Confident | 74.5 | Confident | 190 Ų | 190 | 135.4 Ų | 135.4 | 72% | 0.717 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.2 | -34 | 175.2 | -175.7 | 176.9 | 151.1 | -157.6 | -6.9 | 112.5 | I16 S22 H23 S24 | I16-R20 WeakPolarHBondContact O-CB 3.39Å; I16-R20 PolarHBondContact O-N 3.32Å; R20-S22 VanDerWaalsContact C-N 3.28Å; R20-S22 PolarHBondContact O-N 2.95Å; R20-H23 PolarHBondContact O-N 3.07Å; R20-S24 PolarHBondContact O-N 3.4Å; R20-S24 VanDerWaalsContact O-N 3.11Å |
| 21 | R | 61.8 | Low | 74.1 | Confident | 188 Ų | 188 | 140.1 Ų | 140.1 | 71% | 0.709 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68 | -29 | 173.4 | -167.4 | 177.9 | -179.1 | 115.8 | -3.3 | 112.1 | A18 T19 S24 R25 | A18-R21 PolarHBondContact O-N 3.26Å; T19-R21 VanDerWaalsContact C-N 3.3Å; T19-R21 PolarHBondContact O-N 3.11Å; R21-S24 PolarHBondContact O-OG 3.34Å; R21-R25 WeakPolarHBondContact O-CG 3.42Å |
| 22 | S | 62.5 | Low | 73.5 | Confident | 79 Ų | 79 | 141 Ų | 141 | 55% | 0.552 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -76.1 | -37.6 | 173.2 | -53.5 | 0 | 0 | 0 | 0 | 111.8 | A18 T19 R20 R25 | A18-S22 PolarHBondContact O-N 3.26Å; T19-S22 WeakPolarHBondContact O-CB 3.45Å; T19-S22 PolarHBondContact O-N 3.35Å; T19-S22 VanDerWaalsContact O-N 3.07Å; R20-S22 VanDerWaalsContact C-N 3.28Å; R20-S22 PolarHBondContact O-N 2.95Å; S22-R25 PolarHBondContact O-N 2.92Å |
| 23 | H | 63 | Low | 72.9 | Confident | 151 Ų | 151 | 138.3 Ų | 138.3 | 70% | 0.699 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.2 | -36.1 | 178.3 | -117.9 | 71 | 0 | 0 | 0 | 113.3 | T19 R20 R25 Q26 | T19-H23 PolarHBondContact O-N 3.49Å; R20-H23 PolarHBondContact O-N 3.07Å; H23-R25 PolarHBondContact O-N 3.22Å; H23-Q26 PolarHBondContact O-N 3.48Å |
| 24 | S | 60.3 | Low | 72 | Confident | 96 Ų | 96 | 141.1 Ų | 141.1 | 67% | 0.671 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -8.4 | 175.2 | 65 | 0 | 0 | 0 | 0 | 114.2 | R20 R21 | R20-S24 PolarHBondContact O-N 3.4Å; R20-S24 VanDerWaalsContact O-N 3.11Å; R21-S24 PolarHBondContact O-OG 3.34Å |
| 25 | R | 61.8 | Low | 70.9 | Confident | 197 Ų | 197 | 140.3 Ų | 140.3 | 74% | 0.743 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | 0.3 | 176.2 | -67.4 | -179.6 | 79.1 | 114.9 | -3.8 | 112.4 | R21 S22 H23 P27 | R21-R25 WeakPolarHBondContact O-CG 3.42Å; S22-R25 PolarHBondContact O-N 2.92Å; H23-R25 PolarHBondContact O-N 3.22Å; R25-P27 VanDerWaalsContact O-CD 3.3Å; R25-P27 WeakPolarHBondContact O-CD 3.3Å |
| 26 | Q | 64.3 | Low | 69.8 | Low | 140 Ų | 140 | 142.8 Ų | 142.8 | 65% | 0.654 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -75.7 | 114.7 | 166.9 | -67.5 | -74.8 | 47.2 | 0 | 0 | 107.2 | H23 | H23-Q26 PolarHBondContact O-N 3.48Š|
| 27 | P | 69.2 | Low | 68.6 | Low | 104 Ų | 104 | 147.6 Ų | 147.6 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | | | trans | -62.2 | 137.8 | 158.8 | 31.3 | -29.4 | 0 | 0 | 0 | 106 | R25 | R25-P27 VanDerWaalsContact O-CD 3.3Å; R25-P27 WeakPolarHBondContact O-CD 3.3Å |
| 28 | Y | 69.7 | Low | 67.6 | Low | 292 Ų | 292 | 143.5 Ų | 143.5 | 100% | 1.145 | 69% | 0.687 | S | S | * | * | | | trans | -52.3 | 0 | 173 | 46 | -98 | 0 | 0 | 0 | 110.9 | | |