| 1 | M | 66.4 | Low | 86 | Confident | 141 Ų | 141 | 113.7 Ų | 113.7 | 70% | 0.695 | 57% | 0.567 | S | S | * | * | | | | 0 | 147.8 | 0 | -77.6 | -174.5 | -51.8 | 0 | 0 | 109.5 | Q5 L6 L9 | M1-Q5 HydrophobicContact SD-CB 4.11Å; M1-Q5 HydrophobicContact CB-CB 4.26Å; M1-Q5 VanDerWaalsContact SD-OE1 3.4Å; M1-Q5 PolarHBondContact SD-OE1 2.85Å; M1-L6 HydrophobicContact CE-CD2 3.49Å; M1-L6 VanDerWaalsContact CE-CD2 3.49Å; M1-L6 HydrophobicContact CE-CG 4.16Å; M1-L9 HydrophobicContact CE-CD1 3.58Å; M1-L9 HydrophobicContact SD-CD1 4.3Å |
| 2 | P | 88.3 | Confident | 85.8 | Confident | 81 Ų | 81 | 117.8 Ų | 117.8 | 53% | 0.526 | 58% | 0.579 | S | S | . | * | | | trans | -56.9 | 148.4 | 167.8 | -21.3 | 32.8 | 0 | 0 | 0 | 111.8 | A4 Q5 | P2-A4 PolarHBondContact O-N 2.96Å; P2-A4 VanDerWaalsContact O-N 3.15Å; P2-Q5 PolarHBondContact O-N 3.18Å |
| 3 | I | 91.7 | Very high | 85.7 | Confident | 130 Ų | 130 | 116.8 Ų | 116.8 | 67% | 0.667 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -55.4 | -35.8 | -176.8 | -67.1 | 166.1 | 0 | 0 | 0 | 112 | Q5 L6 L7 | I3-Q5 VanDerWaalsContact C-N 3.29Å; I3-Q5 PolarHBondContact O-N 3Å; I3-L6 PolarHBondContact O-N 2.81Å; I3-L6 VanDerWaalsContact O-N 3.16Å; I3-L7 WeakPolarHBondContact O-CG 3.35Å; I3-L7 VanDerWaalsContact O-N 3.07Å; I3-L7 PolarHBondContact O-N 2.74Å; I3-L7 HydrophobicContact CG2-CG 4.31Å; I3-L7 HydrophobicContact CG2-CD1 4.06Å |
| 4 | A | 89.2 | Confident | 84.4 | Confident | 61 Ų | 61 | 121.9 Ų | 121.9 | 50% | 0.504 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -56.7 | -40 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P2 L7 E8 | P2-A4 PolarHBondContact O-N 2.96Å; P2-A4 VanDerWaalsContact O-N 3.15Å; A4-L7 PolarHBondContact O-N 2.92Å; A4-E8 WeakPolarHBondContact O-CG 3.32Å; A4-E8 PolarHBondContact O-N 2.94Å |
| 5 | Q | 89.9 | Confident | 83.5 | Confident | 87 Ų | 87 | 121.2 Ų | 121.2 | 41% | 0.407 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -70.8 | -35.5 | 179.9 | -66.2 | 178 | -5.7 | 0 | 0 | 111.7 | M1 P2 I3 L7 E8 L9 | M1-Q5 HydrophobicContact SD-CB 4.11Å; M1-Q5 HydrophobicContact CB-CB 4.26Å; M1-Q5 VanDerWaalsContact SD-OE1 3.4Å; M1-Q5 PolarHBondContact SD-OE1 2.85Å; P2-Q5 PolarHBondContact O-N 3.18Å; I3-Q5 VanDerWaalsContact C-N 3.29Å; I3-Q5 PolarHBondContact O-N 3Å; Q5-L7 VanDerWaalsContact C-N 3.34Å; Q5-E8 PolarHBondContact O-N 3.24Å; Q5-L9 VanDerWaalsContact O-CG 3.27Å; Q5-L9 WeakPolarHBondContact O-CG 3.49Å; Q5-L9 PolarHBondContact O-N 2.77Å |
| 6 | L | 90.3 | Very high | 82.7 | Confident | 92 Ų | 92 | 124.3 Ų | 124.3 | 48% | 0.482 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.2 | -39.6 | 174.9 | -68 | 169.9 | 0 | 0 | 0 | 111.4 | M1 I3 L9 W10 | M1-L6 HydrophobicContact CE-CD2 3.49Å; M1-L6 VanDerWaalsContact CE-CD2 3.49Å; M1-L6 HydrophobicContact CE-CG 4.16Å; I3-L6 PolarHBondContact O-N 2.81Å; I3-L6 VanDerWaalsContact O-N 3.16Å; L6-L9 PolarHBondContact O-N 3.39Å; L6-W10 WeakPolarHBondContact O-CB 3.48Å; L6-W10 PolarHBondContact O-N 3.26Å |
| 7 | L | 87.8 | Confident | 81.6 | Confident | 101 Ų | 101 | 124.1 Ų | 124.1 | 53% | 0.529 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.1 | -37.9 | 176.9 | -67.1 | 172.9 | 0 | 0 | 0 | 112.3 | I3 A4 Q5 W10 K11 | I3-L7 WeakPolarHBondContact O-CG 3.35Å; I3-L7 VanDerWaalsContact O-N 3.07Å; I3-L7 PolarHBondContact O-N 2.74Å; I3-L7 HydrophobicContact CG2-CG 4.31Å; I3-L7 HydrophobicContact CG2-CD1 4.06Å; A4-L7 PolarHBondContact O-N 2.92Å; Q5-L7 VanDerWaalsContact C-N 3.34Å; L7-W10 PolarHBondContact O-N 3.35Å; L7-K11 PolarHBondContact O-N 3.37Å; L7-K11 WeakPolarHBondContact O-CG 3.27Å |
| 8 | E | 88.9 | Confident | 81 | Confident | 117 Ų | 117 | 126 Ų | 126 | 55% | 0.547 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -65.4 | -40.2 | 173.6 | -75.1 | 179.3 | -173.2 | 0 | 0 | 112.3 | A4 Q5 K12 | A4-E8 WeakPolarHBondContact O-CG 3.32Å; A4-E8 PolarHBondContact O-N 2.94Å; Q5-E8 PolarHBondContact O-N 3.24Å; E8-K12 WeakPolarHBondContact O-CG 3.43Å; E8-K12 PolarHBondContact O-N 3.17Å |
| 9 | L | 87.6 | Confident | 80.4 | Confident | 81 Ų | 81 | 129.1 Ų | 129.1 | 42% | 0.424 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -65.8 | -45.2 | 175 | -70.6 | 169.1 | 0 | 0 | 0 | 111.1 | M1 Q5 L6 K11 K12 I13 | M1-L9 HydrophobicContact CE-CD1 3.58Å; M1-L9 HydrophobicContact SD-CD1 4.3Å; Q5-L9 VanDerWaalsContact O-CG 3.27Å; Q5-L9 WeakPolarHBondContact O-CG 3.49Å; Q5-L9 PolarHBondContact O-N 2.77Å; L6-L9 PolarHBondContact O-N 3.39Å; L9-K11 VanDerWaalsContact C-N 3.31Å; L9-K11 PolarHBondContact O-N 3.17Å; L9-K12 PolarHBondContact O-N 3.25Å; L9-I13 WeakPolarHBondContact O-CG1 3.33Å; L9-I13 PolarHBondContact O-N 3.05Å |
| 10 | W | 83.2 | Confident | 79.8 | Confident | 189 Ų | 189 | 128.8 Ų | 128.8 | 72% | 0.716 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -57.7 | -42.6 | 176.6 | -176.9 | -91.4 | 0 | 0 | 0 | 112.3 | L6 L7 K12 I13 | L6-W10 WeakPolarHBondContact O-CB 3.48Å; L6-W10 PolarHBondContact O-N 3.26Å; L7-W10 PolarHBondContact O-N 3.35Å; W10-K12 VanDerWaalsContact C-N 3.27Å; W10-K12 PolarHBondContact O-N 3.02Å; W10-I13 PolarHBondContact O-N 3.36Å |
| 11 | K | 82.3 | Confident | 79 | Confident | 171 Ų | 171 | 130.4 Ų | 130.4 | 74% | 0.743 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -64.4 | -27.8 | 175.9 | -75.8 | 178.4 | -180 | -175.3 | 0 | 113.8 | L7 L9 | L7-K11 PolarHBondContact O-N 3.37Å; L7-K11 WeakPolarHBondContact O-CG 3.27Å; L9-K11 VanDerWaalsContact C-N 3.31Å; L9-K11 PolarHBondContact O-N 3.17Å |
| 12 | K | 83.9 | Confident | 78.8 | Confident | 162 Ų | 162 | 129.2 Ų | 129.2 | 70% | 0.704 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -81.5 | -21.2 | 178.3 | -71.9 | 174.2 | -175.3 | 178.5 | 0 | 112.7 | E8 L9 W10 E14 | E8-K12 WeakPolarHBondContact O-CG 3.43Å; E8-K12 PolarHBondContact O-N 3.17Å; L9-K12 PolarHBondContact O-N 3.25Å; W10-K12 VanDerWaalsContact C-N 3.27Å; W10-K12 PolarHBondContact O-N 3.02Å; K12-E14 VanDerWaalsContact C-N 3.25Å; K12-E14 PolarHBondContact O-N 3.02Å; K12-E14 VanDerWaalsContact O-N 3.17Å |
| 13 | I | 84.6 | Confident | 77.6 | Confident | 106 Ų | 106 | 129 Ų | 129 | 54% | 0.544 | 65% | 0.652 | S | S | . | * | | | trans | -88.3 | 73.4 | 175 | -54.1 | 162.5 | 0 | 0 | 0 | 106.1 | L9 W10 V15 | L9-I13 WeakPolarHBondContact O-CG1 3.33Å; L9-I13 PolarHBondContact O-N 3.05Å; W10-I13 PolarHBondContact O-N 3.36Å; I13-V15 PolarHBondContact O-N 3.07Å; I13-V15 HydrophobicContact CG2-CG2 3.84Å; I13-V15 WeakPolarHBondContact O-CG2 3.4Å; I13-V15 VanDerWaalsContact C-N 3.32Å |
| 14 | E | 67.7 | Low | 76.2 | Confident | 188 Ų | 188 | 134.4 Ų | 134.4 | 88% | 0.879 | 66% | 0.664 | S | S | * | * | | | trans | -63.9 | 102.2 | 158.9 | -88.9 | -176.8 | 161.5 | 0 | 0 | 106.4 | K12 E16 | K12-E14 VanDerWaalsContact C-N 3.25Å; K12-E14 PolarHBondContact O-N 3.02Å; K12-E14 VanDerWaalsContact O-N 3.17Å; E14-E16 PolarHBondContact O-N 3.42Å |
| 15 | V | 70.4 | Confident | 74.5 | Confident | 111 Ų | 111 | 139.2 Ų | 139.2 | 67% | 0.673 | 68% | 0.676 | S | S | * | * | | | trans | -79.4 | 104.5 | 179.8 | -158.5 | 0 | 0 | 0 | 0 | 106.4 | I13 | I13-V15 PolarHBondContact O-N 3.07Å; I13-V15 HydrophobicContact CG2-CG2 3.84Å; I13-V15 WeakPolarHBondContact O-CG2 3.4Å; I13-V15 VanDerWaalsContact C-N 3.32Å |
| 16 | E | 71.1 | Confident | 72.5 | Confident | 171 Ų | 171 | 148.1 Ų | 148.1 | 80% | 0.799 | 71% | 0.713 | S | S | * | * | | | trans | -59.4 | 134.8 | 162.2 | -69.3 | -162.9 | 151.7 | 0 | 0 | 107.7 | E14 M18 | E14-E16 PolarHBondContact O-N 3.42Å; E16-M18 PolarHBondContact O-N 3.36Å |
| 17 | P | 64.8 | Low | 71.7 | Confident | 120 Ų | 120 | 150.9 Ų | 150.9 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | | | trans | -59.6 | 108.3 | 174.9 | 24.9 | -31.1 | 0 | 0 | 0 | 107.1 | E19 | P17-E19 PolarHBondContact O-N 2.88Š|
| 18 | M | 70.2 | Confident | 70.8 | Confident | 159 Ų | 159 | 153.5 Ų | 153.5 | 78% | 0.783 | 74% | 0.735 | S | S | * | * | | | trans | -61.1 | 110.5 | 172 | -165 | 170 | 86.2 | 0 | 0 | 105.5 | E16 I20 | E16-M18 PolarHBondContact O-N 3.36Å; M18-I20 VanDerWaalsContact C-N 3.26Å; M18-I20 PolarHBondContact O-N 3.49Å |
| 19 | E | 69.2 | Low | 69.8 | Low | 185 Ų | 185 | 155.6 Ų | 155.6 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | | | trans | -62.1 | 99.9 | 170.6 | -68.6 | -156.9 | 171.5 | 0 | 0 | 106 | P17 E21 | P17-E19 PolarHBondContact O-N 2.88Å; E19-E21 VanDerWaalsContact C-N 3.27Å; E19-E21 PolarHBondContact O-N 3.4Å |
| 20 | I | 67.8 | Low | 68.8 | Low | 122 Ų | 122 | 159.9 Ų | 159.9 | 63% | 0.626 | 76% | 0.764 | S | S | * | * | | | trans | -67.8 | 101 | 169.6 | -55.3 | 175.2 | 0 | 0 | 0 | 103 | M18 T22 | M18-I20 VanDerWaalsContact C-N 3.26Å; M18-I20 PolarHBondContact O-N 3.49Å; I20-T22 HydrophobicContact CG2-CG2 4.43Å; I20-T22 PolarHBondContact O-N 3.07Å |
| 21 | E | 63.2 | Low | 67.9 | Low | 164 Ų | 164 | 158.1 Ų | 158.1 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | | | trans | -53.3 | 102.1 | 158.5 | -81.8 | -173.6 | 163.6 | 0 | 0 | 104.9 | E19 S23 | E19-E21 VanDerWaalsContact C-N 3.27Å; E19-E21 PolarHBondContact O-N 3.4Å; E21-S23 PolarHBondContact O-N 3.03Å |
| 22 | T | 62.7 | Low | 66.9 | Low | 115 Ų | 115 | 157.3 Ų | 157.3 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | trans | -71.9 | 57.1 | 167.7 | 55.6 | 0 | 0 | 0 | 0 | 107.4 | I20 W24 | I20-T22 HydrophobicContact CG2-CG2 4.43Å; I20-T22 PolarHBondContact O-N 3.07Å; T22-W24 PolarHBondContact O-N 3.3Å |
| 23 | S | 63.6 | Low | 65.7 | Low | 78 Ų | 78 | 156.9 Ų | 156.9 | 55% | 0.545 | 77% | 0.774 | S | S | . | * | | | trans | -81.5 | 49.8 | 156.3 | 69.3 | 0 | 0 | 0 | 0 | 108.4 | E21 Q25 | E21-S23 PolarHBondContact O-N 3.03Å; S23-Q25 PolarHBondContact O-N 3.15Å |
| 24 | W | 62.1 | Low | 64.2 | Low | 242 Ų | 242 | 160.8 Ų | 160.8 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | | | trans | -71.2 | 64.8 | 141.2 | -65.3 | 99.2 | 0 | 0 | 0 | 105.8 | T22 K26 | T22-W24 PolarHBondContact O-N 3.3Å; W24-K26 PolarHBondContact O-N 3.16Å |
| 25 | Q | 52.9 | Low | 63.9 | Low | 163 Ų | 163 | 158.6 Ų | 158.6 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | | | trans | -76.7 | 118 | 178.3 | -80.7 | -143.3 | -30.5 | 0 | 0 | 108.2 | S23 | S23-Q25 PolarHBondContact O-N 3.15Š|
| 26 | K | 49.2 | Very low | 63.3 | Low | 273 Ų | 273 | 162.9 Ų | 162.9 | 100% | 1.187 | 79% | 0.794 | S | S | * | * | | | trans | 68 | 0 | 151.7 | -82.1 | 178.8 | 171.8 | 174.9 | 0 | 118.9 | W24 | W24-K26 PolarHBondContact O-N 3.16Š|