| 1 | M | 58.7 | Low | 63.9 | Low | 240 Ų | 240 | 135.8 Ų | 135.8 | 100% | 1.182 | 67% | 0.672 | S | S | * | * | | | | 0 | 59 | 0 | -151.7 | 76.7 | 159.2 | 0 | 0 | 110.6 | | |
| 2 | A | 62.5 | Low | 64 | Low | 70 Ų | 70 | 135.2 Ų | 135.2 | 58% | 0.579 | 67% | 0.672 | S | S | * | * | | | trans | -142.2 | -11.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 3 | W | 63.6 | Low | 64.3 | Low | 226 Ų | 226 | 130.3 Ų | 130.3 | 86% | 0.856 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -20.2 | -175.7 | -65.5 | 71.9 | 0 | 0 | 0 | 113.4 | S6 | W3-S6 VanDerWaalsContact O-OG 3.07Å; W3-S6 PolarHBondContact O-OG 3.39Å |
| 4 | W | 63.8 | Low | 64.9 | Low | 216 Ų | 216 | 129.1 Ų | 129.1 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -37.7 | 176.2 | -77.9 | 82 | 0 | 0 | 0 | 112.1 | S6 W7 | W4-S6 PolarHBondContact O-N 3.33Å; W4-S6 VanDerWaalsContact C-N 3.31Å; W4-W7 PolarHBondContact O-N 3.23Å |
| 5 | K | 62.8 | Low | 65.3 | Low | 171 Ų | 171 | 132.7 Ų | 132.7 | 74% | 0.743 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.7 | -25.9 | -174.2 | -156 | 175 | -174.7 | -175.9 | 0 | 113.6 | S9 | K5-S9 PolarHBondContact O-OG 3.38Å |
| 6 | S | 63.6 | Low | 65.6 | Low | 78 Ų | 78 | 130.4 Ų | 130.4 | 55% | 0.545 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -77 | -25.4 | 176.8 | 49.2 | 0 | 0 | 0 | 0 | 113.3 | W3 W4 | W3-S6 VanDerWaalsContact O-OG 3.07Å; W3-S6 PolarHBondContact O-OG 3.39Å; W4-S6 PolarHBondContact O-N 3.33Å; W4-S6 VanDerWaalsContact C-N 3.31Å |
| 7 | W | 64.8 | Low | 66.2 | Low | 187 Ų | 187 | 126.6 Ų | 126.6 | 71% | 0.708 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -72.3 | -45.8 | 179.5 | -173.8 | -99.7 | 0 | 0 | 0 | 111.6 | W4 S9 G10 I11 | W4-W7 PolarHBondContact O-N 3.23Å; W7-S9 VanDerWaalsContact C-N 3.3Å; W7-S9 PolarHBondContact O-N 3.07Å; W7-G10 PolarHBondContact O-N 3.32Å; W7-I11 VanDerWaalsContact NE1-CD1 3.33Å; W7-I11 HydrophobicContact CZ2-CD1 4.3Å; W7-I11 HydrophobicContact CG-CD1 4.36Å; W7-I11 HydrophobicContact CD2-CD1 4.39Å |
| 8 | D | 62.7 | Low | 66.7 | Low | 97 Ų | 97 | 127 Ų | 127 | 52% | 0.519 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -63.1 | -36.3 | 176 | -68.8 | -71.8 | 0 | 0 | 0 | 112.7 | G10 I11 L12 | D8-G10 VanDerWaalsContact C-N 3.28Å; D8-G10 PolarHBondContact O-N 2.85Å; D8-I11 PolarHBondContact O-N 3.34Å; D8-L12 PolarHBondContact O-N 3.45Å |
| 9 | S | 65.9 | Low | 67 | Low | 77 Ų | 77 | 126.6 Ų | 126.6 | 54% | 0.538 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -70.9 | -20.3 | -176.5 | -58.7 | 0 | 0 | 0 | 0 | 113.5 | K5 W7 P13 | K5-S9 PolarHBondContact O-OG 3.38Å; W7-S9 VanDerWaalsContact C-N 3.3Å; W7-S9 PolarHBondContact O-N 3.07Å; S9-P13 WeakPolarHBondContact O-CD 3.31Å; S9-P13 WeakPolarHBondContact O-CG 3.32Å |
| 10 | G | 67.5 | Low | 67.3 | Low | 43 Ų | 43 | 127.2 Ų | 127.2 | 44% | 0.443 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -90.3 | -28.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | W7 D8 P13 | W7-G10 PolarHBondContact O-N 3.32Å; D8-G10 VanDerWaalsContact C-N 3.28Å; D8-G10 PolarHBondContact O-N 2.85Å; G10-P13 WeakPolarHBondContact O-CD 3.47Å; G10-P13 WeakPolarHBondContact O-CG 3.49Å |
| 11 | I | 67.3 | Low | 66.8 | Low | 89 Ų | 89 | 127.2 Ų | 127.2 | 46% | 0.456 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -80.4 | -39 | -175.7 | -64.9 | 168.4 | 0 | 0 | 0 | 111.7 | W7 D8 L14 R15 | W7-I11 VanDerWaalsContact NE1-CD1 3.33Å; W7-I11 HydrophobicContact CZ2-CD1 4.3Å; W7-I11 HydrophobicContact CG-CD1 4.36Å; W7-I11 HydrophobicContact CD2-CD1 4.39Å; D8-I11 PolarHBondContact O-N 3.34Å; I11-L14 PolarHBondContact O-N 2.9Å; I11-R15 VanDerWaalsContact O-N 3.09Å; I11-R15 PolarHBondContact O-N 3.19Å |
| 12 | L | 65.4 | Low | 67.2 | Low | 128 Ų | 128 | 121.6 Ų | 121.6 | 67% | 0.67 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -57.6 | -50.9 | 175.5 | -93 | 147 | 0 | 0 | 0 | 113.9 | D8 N16 | D8-L12 PolarHBondContact O-N 3.45Å; L12-N16 PolarHBondContact O-N 3.37Å; L12-N16 VanDerWaalsContact O-N 3.17Å |
| 13 | P | 67.9 | Low | 67.4 | Low | 72 Ų | 72 | 124.3 Ų | 124.3 | 47% | 0.468 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -69.6 | -32.9 | 179.6 | 24.8 | -32.7 | 0 | 0 | 0 | 112.6 | S9 G10 N16 A17 | S9-P13 WeakPolarHBondContact O-CD 3.31Å; S9-P13 WeakPolarHBondContact O-CG 3.32Å; G10-P13 WeakPolarHBondContact O-CD 3.47Å; G10-P13 WeakPolarHBondContact O-CG 3.49Å; P13-N16 PolarHBondContact O-N 3.2Å; P13-A17 VanDerWaalsContact O-CB 3.32Å; P13-A17 WeakPolarHBondContact O-CB 2.93Å; P13-A17 PolarHBondContact O-N 3.17Å |
| 14 | L | 71.9 | Confident | 67.6 | Low | 114 Ų | 114 | 118.6 Ų | 118.6 | 60% | 0.597 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -64.9 | -44.4 | 177.5 | -176.6 | 65.3 | 0 | 0 | 0 | 111.7 | I11 N16 A17 L18 | I11-L14 PolarHBondContact O-N 2.9Å; L14-N16 VanDerWaalsContact C-N 3.33Å; L14-N16 PolarHBondContact O-N 3.06Å; L14-A17 PolarHBondContact O-N 3.09Å; L14-L18 WeakPolarHBondContact O-CB 3.07Å; L14-L18 PolarHBondContact O-N 3.46Å; L14-L18 HydrophobicContact CG-CD1 4.34Å; L14-L18 HydrophobicContact CD1-CD1 4.48Å |
| 15 | R | 71.4 | Confident | 67.8 | Low | 182 Ų | 182 | 112.9 Ų | 112.9 | 69% | 0.687 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -64.8 | -38.3 | 176.5 | -174.7 | 175.1 | 178.2 | -115.7 | 0 | 111.8 | I11 L19 | I11-R15 VanDerWaalsContact O-N 3.09Å; I11-R15 PolarHBondContact O-N 3.19Å; R15-L19 HydrophobicContact CG-CD1 4.14Å; R15-L19 VanDerWaalsContact O-CG 3.3Å; R15-L19 WeakPolarHBondContact O-CG 3.44Å; R15-L19 PolarHBondContact O-N 3.48Å |
| 16 | N | 69.4 | Low | 68.1 | Low | 97 Ų | 97 | 109.3 Ų | 109.3 | 52% | 0.519 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -71.8 | -38 | 179.2 | -148 | 55.6 | 0 | 0 | 0 | 112.1 | L12 P13 L14 L19 L20 | L12-N16 PolarHBondContact O-N 3.37Å; L12-N16 VanDerWaalsContact O-N 3.17Å; P13-N16 PolarHBondContact O-N 3.2Å; L14-N16 VanDerWaalsContact C-N 3.33Å; L14-N16 PolarHBondContact O-N 3.06Å; N16-L19 PolarHBondContact O-N 3.49Å; N16-L20 WeakPolarHBondContact O-CB 3.48Å; N16-L20 VanDerWaalsContact O-CG 3.31Å; N16-L20 WeakPolarHBondContact O-CG 3.3Å; N16-L20 PolarHBondContact O-N 3.36Å |
| 17 | A | 76.1 | Confident | 68.5 | Low | 66 Ų | 66 | 111.3 Ų | 111.3 | 55% | 0.545 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -65.4 | -38.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P13 L14 G21 | P13-A17 VanDerWaalsContact O-CB 3.32Å; P13-A17 WeakPolarHBondContact O-CB 2.93Å; P13-A17 PolarHBondContact O-N 3.17Å; L14-A17 PolarHBondContact O-N 3.09Å; A17-G21 PolarHBondContact O-N 3.5Å |
| 18 | L | 75.8 | Confident | 68.7 | Low | 133 Ų | 133 | 105.9 Ų | 105.9 | 70% | 0.696 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.9 | -29.1 | 175.3 | -97.9 | 154.7 | 0 | 0 | 0 | 114 | L14 | L14-L18 WeakPolarHBondContact O-CB 3.07Å; L14-L18 PolarHBondContact O-N 3.46Å; L14-L18 HydrophobicContact CG-CD1 4.34Å; L14-L18 HydrophobicContact CD1-CD1 4.48Å |
| 19 | L | 72.1 | Confident | 69.2 | Low | 119 Ų | 119 | 106.6 Ų | 106.6 | 62% | 0.623 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -84.4 | -19.2 | 178.8 | -73.5 | 169.8 | 0 | 0 | 0 | 113.4 | R15 N16 | R15-L19 HydrophobicContact CG-CD1 4.14Å; R15-L19 VanDerWaalsContact O-CG 3.3Å; R15-L19 WeakPolarHBondContact O-CG 3.44Å; R15-L19 PolarHBondContact O-N 3.48Å; N16-L19 PolarHBondContact O-N 3.49Å |
| 20 | L | 71.9 | Confident | 69.5 | Low | 139 Ų | 139 | 109.1 Ų | 109.1 | 73% | 0.728 | 65% | 0.645 | S | S | * | * | | | trans | -103 | 1.8 | -178.5 | -67.9 | 171.1 | 0 | 0 | 0 | 113.1 | N16 | N16-L20 WeakPolarHBondContact O-CB 3.48Å; N16-L20 VanDerWaalsContact O-CG 3.31Å; N16-L20 WeakPolarHBondContact O-CG 3.3Å; N16-L20 PolarHBondContact O-N 3.36Å |
| 21 | G | 56.7 | Low | 69.6 | Low | 127 Ų | 127 | 115.1 Ų | 115.1 | 100% | 1.309 | 66% | 0.663 | S | S | * | * | | | trans | -95.6 | 0 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | A17 | A17-G21 PolarHBondContact O-N 3.5Š|