| 1 | M | 58.9 | Low | 67.4 | Low | 246 Ų | 246 | 146.6 Ų | 146.6 | 100% | 1.212 | 81% | 0.812 | S | S | * | * | | | | 0 | 110.8 | 0 | -66.3 | -148.6 | -178 | 0 | 0 | 108.5 | R3 | M1-R3 PolarHBondContact O-N 2.87Š|
| 2 | H | 56.5 | Low | 67 | Low | 192 Ų | 192 | 145 Ų | 145 | 89% | 0.889 | 79% | 0.794 | S | S | * | * | | | trans | -87.3 | 99.8 | -176.7 | -135.2 | -113.7 | 0 | 0 | 0 | 108.6 | T4 | H2-T4 PolarHBondContact O-N 3.45Š|
| 3 | R | 65.4 | Low | 66.6 | Low | 219 Ų | 219 | 138.5 Ų | 138.5 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | | | trans | -87.4 | 99.6 | 176.3 | -170 | 175.9 | -148.2 | 169.2 | 6.3 | 108.2 | M1 L5 | M1-R3 PolarHBondContact O-N 2.87Å; R3-L5 PolarHBondContact O-N 2.9Å |
| 4 | T | 74.1 | Confident | 66.8 | Low | 123 Ų | 123 | 135.8 Ų | 135.8 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | trans | -66 | 102.8 | 167.8 | -50.2 | 0 | 0 | 0 | 0 | 107.6 | H2 A6 | H2-T4 PolarHBondContact O-N 3.45Å; T4-A6 PolarHBondContact O-N 3.42Å |
| 5 | L | 71.3 | Confident | 67.6 | Low | 136 Ų | 136 | 130.3 Ų | 130.3 | 71% | 0.712 | 74% | 0.735 | S | S | * | * | | | trans | -68.3 | 101 | 168.1 | -66.2 | 171.2 | 0 | 0 | 0 | 106.2 | R3 V7 | R3-L5 PolarHBondContact O-N 2.9Å; L5-V7 PolarHBondContact O-N 2.95Å |
| 6 | A | 72 | Confident | 68.6 | Low | 96 Ų | 96 | 132.9 Ų | 132.9 | 79% | 0.793 | 73% | 0.73 | S | S | * | * | | | trans | -65 | 92.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | T4 A8 | T4-A6 PolarHBondContact O-N 3.42Å; A6-A8 PolarHBondContact O-N 3.41Å |
| 7 | V | 70.7 | Confident | 69.6 | Low | 122 Ų | 122 | 130.5 Ų | 130.5 | 74% | 0.739 | 71% | 0.712 | S | S | * | * | | | trans | -58.5 | 111.3 | 168.1 | 177.8 | 0 | 0 | 0 | 0 | 105.2 | L5 | L5-V7 PolarHBondContact O-N 2.95Š|
| 8 | A | 69.9 | Low | 70.5 | Confident | 76 Ų | 76 | 129.2 Ų | 129.2 | 63% | 0.628 | 70% | 0.7 | S | S | * | * | | | trans | -54.1 | 130.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | A6 E10 | A6-A8 PolarHBondContact O-N 3.41Å; A8-E10 PolarHBondContact O-N 2.96Å |
| 9 | P | 69.9 | Low | 71.5 | Confident | 116 Ų | 116 | 128.3 Ų | 128.3 | 75% | 0.753 | 69% | 0.689 | S | S | * | * | | | trans | -61.7 | 106.6 | 176.6 | 24.1 | -30.9 | 0 | 0 | 0 | 107.5 | S11 | P9-S11 PolarHBondContact O-N 3.39Š|
| 10 | E | 68.1 | Low | 72.5 | Confident | 163 Ų | 163 | 129.3 Ų | 129.3 | 76% | 0.762 | 68% | 0.683 | S | S | * | * | | | trans | -49 | 132.7 | 170.4 | -58.9 | -123.1 | 89.4 | 0 | 0 | 107.2 | A8 H12 | A8-E10 PolarHBondContact O-N 2.96Å; E10-H12 PolarHBondContact O-CD2 3.46Å; E10-H12 PolarHBondContact O-N 3.49Å |
| 11 | S | 64.3 | Low | 73.3 | Confident | 124 Ų | 124 | 127 Ų | 127 | 87% | 0.867 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -47.7 | 58.2 | -162.3 | -55.7 | 0 | 0 | 0 | 0 | 118.2 | P9 S13 | P9-S11 PolarHBondContact O-N 3.39Å; S11-S13 VanDerWaalsContact C-N 3.33Å |
| 12 | H | 63.1 | Low | 74.9 | Confident | 127 Ų | 127 | 123.1 Ų | 123.1 | 59% | 0.588 | 64% | 0.643 | S | S | * | * | | | trans | -93.3 | 8.7 | 172.3 | -80.4 | -112.1 | 0 | 0 | 0 | 111.9 | E10 S14 S15 W16 | E10-H12 PolarHBondContact O-CD2 3.46Å; E10-H12 PolarHBondContact O-N 3.49Å; H12-S14 PolarHBondContact O-N 2.91Å; H12-S15 PolarHBondContact O-N 3.29Å; H12-S15 VanDerWaalsContact O-N 3.11Å; H12-W16 PolarHBondContact O-N 3.25Å |
| 13 | S | 61.7 | Low | 76.7 | Confident | 61 Ų | 61 | 119.1 Ų | 119.1 | 43% | 0.427 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -53 | -39.6 | -177.4 | -61.4 | 0 | 0 | 0 | 0 | 112 | S11 S15 W16 E17 | S11-S13 VanDerWaalsContact C-N 3.33Å; S13-S15 VanDerWaalsContact C-N 3.32Å; S13-S15 PolarHBondContact O-N 3.17Å; S13-W16 PolarHBondContact O-N 3.01Å; S13-E17 PolarHBondContact O-N 3.07Å; S13-E17 WeakPolarHBondContact O-CG 3.45Å; S13-E17 WeakPolarHBondContact CB-OE2 3.38Å; S13-E17 VanDerWaalsContact CB-OE2 3.27Å; S13-E17 VanDerWaalsContact C-OE2 3.24Å; S13-E17 WeakPolarHBondContact O-CB 3.31Å |
| 14 | S | 69.3 | Low | 78.1 | Confident | 100 Ų | 100 | 110.1 Ų | 110.1 | 70% | 0.699 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -59.5 | -38.8 | -179.2 | -169 | 0 | 0 | 0 | 0 | 113.8 | H12 Q18 | H12-S14 PolarHBondContact O-N 2.91Å; S14-Q18 WeakPolarHBondContact O-CB 3.43Å; S14-Q18 PolarHBondContact O-N 3.33Å |
| 15 | S | 79.5 | Confident | 79 | Confident | 54 Ų | 54 | 106.9 Ų | 106.9 | 38% | 0.378 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -78.3 | -41.6 | 179.8 | -168.4 | 0 | 0 | 0 | 0 | 112.3 | H12 S13 K19 | H12-S15 PolarHBondContact O-N 3.29Å; H12-S15 VanDerWaalsContact O-N 3.11Å; S13-S15 VanDerWaalsContact C-N 3.32Å; S13-S15 PolarHBondContact O-N 3.17Å; S15-K19 VanDerWaalsContact O-CG 3.31Å; S15-K19 WeakPolarHBondContact O-CG 3.44Å; S15-K19 PolarHBondContact O-N 3.23Å |
| 16 | W | 82.9 | Confident | 80 | Confident | 172 Ų | 172 | 103 Ų | 103 | 65% | 0.652 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -72 | -39.2 | -179.4 | -80 | 109.6 | 0 | 0 | 0 | 112.6 | H12 S13 K19 R20 | H12-W16 PolarHBondContact O-N 3.25Å; S13-W16 PolarHBondContact O-N 3.01Å; W16-K19 PolarHBondContact O-N 3.04Å; W16-K19 HydrophobicContact CE3-CD 4.49Å; W16-R20 VanDerWaalsContact O-CB 3.26Å; W16-R20 WeakPolarHBondContact O-CB 3.36Å; W16-R20 PolarHBondContact O-N 3.19Å |
| 17 | E | 85.2 | Confident | 81.1 | Confident | 92 Ų | 92 | 103 Ų | 103 | 43% | 0.43 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.2 | -46.5 | 174.5 | -69.9 | 177.3 | 107.9 | 0 | 0 | 110.4 | S13 K19 R20 D21 | S13-E17 PolarHBondContact O-N 3.07Å; S13-E17 WeakPolarHBondContact O-CG 3.45Å; S13-E17 WeakPolarHBondContact CB-OE2 3.38Å; S13-E17 VanDerWaalsContact CB-OE2 3.27Å; S13-E17 VanDerWaalsContact C-OE2 3.24Å; S13-E17 WeakPolarHBondContact O-CB 3.31Å; E17-K19 VanDerWaalsContact C-N 3.34Å; E17-K19 PolarHBondContact O-N 3.31Å; E17-R20 WeakPolarHBondContact O-CB 3.35Å; E17-R20 PolarHBondContact O-N 2.81Å; E17-D21 WeakPolarHBondContact O-CB 3.31Å; E17-D21 PolarHBondContact O-N 3.24Å |
| 18 | Q | 86.3 | Confident | 82.1 | Confident | 106 Ų | 106 | 106.3 Ų | 106.3 | 50% | 0.495 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.8 | -41.8 | 176 | -174.1 | 178.4 | 91 | 0 | 0 | 112.3 | S14 R22 | S14-Q18 WeakPolarHBondContact O-CB 3.43Å; S14-Q18 PolarHBondContact O-N 3.33Å; Q18-R22 WeakPolarHBondContact O-CB 3.39Å; Q18-R22 PolarHBondContact O-N 2.82Å; Q18-R22 WeakPolarHBondContact O-CG 3.36Å; Q18-R22 VanDerWaalsContact O-CG 3.31Å |
| 19 | K | 89.1 | Confident | 82.9 | Confident | 113 Ų | 113 | 111.7 Ų | 111.7 | 49% | 0.491 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.4 | -42.7 | 175.4 | -75.2 | 175 | -176.6 | 178.2 | 0 | 111.7 | S15 W16 E17 R22 L23 | S15-K19 VanDerWaalsContact O-CG 3.31Å; S15-K19 WeakPolarHBondContact O-CG 3.44Å; S15-K19 PolarHBondContact O-N 3.23Å; W16-K19 PolarHBondContact O-N 3.04Å; W16-K19 HydrophobicContact CE3-CD 4.49Å; E17-K19 VanDerWaalsContact C-N 3.34Å; E17-K19 PolarHBondContact O-N 3.31Å; K19-R22 PolarHBondContact O-N 2.82Å; K19-L23 WeakPolarHBondContact O-CB 3.37Å; K19-L23 PolarHBondContact O-N 2.9Å |
| 20 | R | 90.9 | Very high | 83.7 | Confident | 147 Ų | 147 | 111.8 Ų | 111.8 | 56% | 0.555 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.4 | -46.4 | 176.8 | -176.7 | -161.5 | 67.9 | -170.1 | -5.4 | 110.8 | W16 E17 L23 A24 | W16-R20 VanDerWaalsContact O-CB 3.26Å; W16-R20 WeakPolarHBondContact O-CB 3.36Å; W16-R20 PolarHBondContact O-N 3.19Å; E17-R20 WeakPolarHBondContact O-CB 3.35Å; E17-R20 PolarHBondContact O-N 2.81Å; R20-L23 PolarHBondContact O-N 3.29Å; R20-A24 WeakPolarHBondContact O-CB 3.46Å; R20-A24 PolarHBondContact O-N 3.25Å |
| 21 | D | 91.1 | Very high | 83.9 | Confident | 82 Ų | 82 | 113.7 Ų | 113.7 | 44% | 0.439 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.6 | -40.7 | 178.6 | -88.9 | -81.9 | 0 | 0 | 0 | 111.9 | E17 L23 A24 A25 | E17-D21 WeakPolarHBondContact O-CB 3.31Å; E17-D21 PolarHBondContact O-N 3.24Å; D21-L23 PolarHBondContact O-N 3.38Å; D21-A24 PolarHBondContact O-N 3.32Å; D21-A25 WeakPolarHBondContact O-CB 3.15Å; D21-A25 PolarHBondContact O-N 3.21Å |
| 22 | R | 92 | Very high | 84.9 | Confident | 164 Ų | 164 | 113.2 Ų | 113.2 | 62% | 0.619 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.2 | -42.9 | 171.7 | -74.8 | 179.7 | -175 | -179.9 | 5.4 | 112.3 | Q18 K19 A25 A26 | Q18-R22 WeakPolarHBondContact O-CB 3.39Å; Q18-R22 PolarHBondContact O-N 2.82Å; Q18-R22 WeakPolarHBondContact O-CG 3.36Å; Q18-R22 VanDerWaalsContact O-CG 3.31Å; K19-R22 PolarHBondContact O-N 2.82Å; R22-A25 PolarHBondContact O-N 3.11Å; R22-A26 WeakPolarHBondContact O-CB 3.26Å; R22-A26 PolarHBondContact O-N 3.27Å |
| 23 | L | 93.8 | Very high | 86 | Confident | 108 Ų | 108 | 112.5 Ų | 112.5 | 57% | 0.565 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.9 | -45.8 | 177 | -179.6 | 63.7 | 0 | 0 | 0 | 111.3 | K19 R20 D21 A25 A26 L27 | K19-L23 WeakPolarHBondContact O-CB 3.37Å; K19-L23 PolarHBondContact O-N 2.9Å; R20-L23 PolarHBondContact O-N 3.29Å; D21-L23 PolarHBondContact O-N 3.38Å; L23-A25 VanDerWaalsContact C-N 3.31Å; L23-A25 PolarHBondContact O-N 3.18Å; L23-A26 PolarHBondContact O-N 3.39Å; L23-A26 VanDerWaalsContact O-N 3.17Å; L23-L27 HydrophobicContact CD1-CD1 4.48Å; L23-L27 HydrophobicContact CD1-CG 4.44Å; L23-L27 HydrophobicContact CG-CD1 4.2Å; L23-L27 WeakPolarHBondContact O-CG 3.27Å; L23-L27 PolarHBondContact O-N 2.86Å |
| 24 | A | 93.9 | Very high | 87.3 | Confident | 31 Ų | 31 | 115.3 Ų | 115.3 | 26% | 0.256 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61 | -40.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R20 D21 R28 | R20-A24 WeakPolarHBondContact O-CB 3.46Å; R20-A24 PolarHBondContact O-N 3.25Å; D21-A24 PolarHBondContact O-N 3.32Å; A24-R28 PolarHBondContact O-N 2.86Å; A24-R28 WeakPolarHBondContact O-CG 3.12Å |
| 25 | A | 93.6 | Very high | 88.4 | Confident | 55 Ų | 55 | 116.2 Ų | 116.2 | 46% | 0.455 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.7 | -41.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D21 R22 L23 R28 K29 | D21-A25 WeakPolarHBondContact O-CB 3.15Å; D21-A25 PolarHBondContact O-N 3.21Å; R22-A25 PolarHBondContact O-N 3.11Å; L23-A25 VanDerWaalsContact C-N 3.31Å; L23-A25 PolarHBondContact O-N 3.18Å; A25-R28 PolarHBondContact O-N 3.03Å; A25-K29 PolarHBondContact O-N 2.8Å |
| 26 | A | 93.2 | Very high | 89 | Confident | 53 Ų | 53 | 120.1 Ų | 120.1 | 44% | 0.438 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.1 | -41.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R22 L23 K29 T30 | R22-A26 WeakPolarHBondContact O-CB 3.26Å; R22-A26 PolarHBondContact O-N 3.27Å; L23-A26 PolarHBondContact O-N 3.39Å; L23-A26 VanDerWaalsContact O-N 3.17Å; A26-K29 PolarHBondContact O-N 2.6Å; A26-T30 PolarHBondContact O-N 3.33Å; A26-T30 PolarHBondContact O-OG1 3.4Å |
| 27 | L | 94.5 | Very high | 89.4 | Confident | 98 Ų | 98 | 116.7 Ų | 116.7 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.9 | -43.9 | 177.1 | -71.2 | 172.1 | 0 | 0 | 0 | 111.8 | L23 K29 T30 L31 | L23-L27 HydrophobicContact CD1-CD1 4.48Å; L23-L27 HydrophobicContact CD1-CG 4.44Å; L23-L27 HydrophobicContact CG-CD1 4.2Å; L23-L27 WeakPolarHBondContact O-CG 3.27Å; L23-L27 PolarHBondContact O-N 2.86Å; L27-K29 PolarHBondContact O-N 3.01Å; L27-T30 PolarHBondContact O-N 3.04Å; L27-L31 PolarHBondContact O-N 3.41Å |
| 28 | R | 91.7 | Very high | 89.7 | Confident | 191 Ų | 191 | 118.4 Ų | 118.4 | 72% | 0.721 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -62.1 | -24.9 | 175.9 | -74.9 | 178 | -174.7 | 134.7 | -0.2 | 114.1 | A24 A25 | A24-R28 PolarHBondContact O-N 2.86Å; A24-R28 WeakPolarHBondContact O-CG 3.12Å; A25-R28 PolarHBondContact O-N 3.03Å |
| 29 | K | 87.2 | Confident | 89.9 | Confident | 188 Ų | 188 | 119.4 Ų | 119.4 | 82% | 0.817 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -80.8 | -21 | 175.1 | -172.3 | 177.9 | 177.3 | -175.7 | 0 | 112.5 | A25 A26 L27 | A25-K29 PolarHBondContact O-N 2.8Å; A26-K29 PolarHBondContact O-N 2.6Å; L27-K29 PolarHBondContact O-N 3.01Å |
| 30 | T | 86 | Confident | 90 | Very high | 119 Ų | 119 | 119.9 Ų | 119.9 | 73% | 0.73 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -94 | -24.1 | -172.8 | -52.5 | 0 | 0 | 0 | 0 | 112.7 | A26 L27 | A26-T30 PolarHBondContact O-N 3.33Å; A26-T30 PolarHBondContact O-OG1 3.4Å; L27-T30 PolarHBondContact O-N 3.04Å |
| 31 | L | 72.1 | Confident | 89.9 | Confident | 203 Ų | 203 | 117.5 Ų | 117.5 | 100% | 1.063 | 60% | 0.601 | S | S | * | * | | | trans | -96.7 | 0 | 175.3 | -63.5 | 174.5 | 0 | 0 | 0 | 111.1 | L27 | L27-L31 PolarHBondContact O-N 3.41Š|