| 1 | M | 52.8 | Low | 65.6 | Low | 229 Ų | 229 | 147.9 Ų | 147.9 | 100% | 1.128 | 75% | 0.753 | S | S | * | * | | | | 0 | -15.7 | 0 | -153.4 | 159.7 | 179.9 | 0 | 0 | 114 | | |
| 2 | T | 62 | Low | 65.7 | Low | 122 Ų | 122 | 139.3 Ų | 139.3 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -84 | -17.6 | -171.8 | -27.9 | 0 | 0 | 0 | 0 | 115.8 | V4 | T2-V4 PolarHBondContact O-N 3.26Š|
| 3 | A | 65.6 | Low | 66.3 | Low | 82 Ų | 82 | 132.5 Ų | 132.5 | 68% | 0.678 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -78.1 | -15.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L5 K6 | A3-L5 PolarHBondContact O-N 2.63Å; A3-K6 PolarHBondContact O-N 2.8Å |
| 4 | V | 67.9 | Low | 66.4 | Low | 119 Ų | 119 | 129 Ų | 129 | 72% | 0.721 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -64.7 | -32.1 | 179.9 | -179 | 0 | 0 | 0 | 0 | 111.3 | T2 K6 | T2-V4 PolarHBondContact O-N 3.26Å; V4-K6 VanDerWaalsContact C-N 3.27Å; V4-K6 PolarHBondContact O-N 3.13Å |
| 5 | L | 67.8 | Low | 67.3 | Low | 140 Ų | 140 | 129.5 Ų | 129.5 | 73% | 0.733 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -75.1 | -12.7 | 179.5 | -60.5 | 174.4 | 0 | 0 | 0 | 113.5 | A3 | A3-L5 PolarHBondContact O-N 2.63Š|
| 6 | K | 67.3 | Low | 68 | Low | 158 Ų | 158 | 131.1 Ų | 131.1 | 69% | 0.687 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -85 | -16.8 | -175.4 | -165.9 | 167.6 | 179.6 | 177.2 | 0 | 113.9 | A3 V4 G8 F9 | A3-K6 PolarHBondContact O-N 2.8Å; V4-K6 VanDerWaalsContact C-N 3.27Å; V4-K6 PolarHBondContact O-N 3.13Å; K6-G8 PolarHBondContact O-N 2.97Å; K6-G8 VanDerWaalsContact O-N 3.16Å; K6-F9 HydrophobicContact CG-CB 4.35Å; K6-F9 PolarHBondContact O-N 3.34Å |
| 7 | R | 69.8 | Low | 68.8 | Low | 245 Ų | 245 | 129.5 Ų | 129.5 | 93% | 0.925 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -62.4 | -21.5 | -179.6 | -91.5 | 178.8 | 143.7 | 133.3 | -4.8 | 114.4 | | |
| 8 | G | 67.6 | Low | 69.5 | Low | 75 Ų | 75 | 128.2 Ų | 128.2 | 77% | 0.773 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -112.4 | 1.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114 | K6 F10 | K6-G8 PolarHBondContact O-N 2.97Å; K6-G8 VanDerWaalsContact O-N 3.16Å; G8-F10 VanDerWaalsContact C-N 3.26Å; G8-F10 PolarHBondContact O-N 2.84Å |
| 9 | F | 66.7 | Low | 70.1 | Confident | 117 Ų | 117 | 123.7 Ų | 123.7 | 51% | 0.513 | 64% | 0.638 | S | S | . | * | | | trans | -86.8 | 71.9 | -176.1 | -145.8 | -91.6 | 0 | 0 | 0 | 109.1 | K6 W11 | K6-F9 HydrophobicContact CG-CB 4.35Å; K6-F9 PolarHBondContact O-N 3.34Å; F9-W11 AromaticContact CD1-CE3 3.85Å; F9-W11 PolarHBondContact O-N 2.69Å; F9-W11 HydrophobicContact CE1-CZ3 4.01Å; F9-W11 VanDerWaalsContact CE1-CE3 3.48Å; F9-W11 HydrophobicContact CE1-CE3 3.48Å; F9-W11 AromaticContact CE1-CE3 3.48Å; F9-W11 HydrophobicContact CE1-CD2 4.19Å; F9-W11 HydrophobicContact CD1-CE3 3.85Å; F9-W11 HydrophobicContact CD1-CB 4.31Å |
| 10 | F | 67.3 | Low | 70.6 | Confident | 157 Ų | 157 | 124.2 Ų | 124.2 | 69% | 0.689 | 64% | 0.636 | S | S | * | * | | | trans | -59.3 | 90.7 | 152.3 | -176.1 | -94.2 | 0 | 0 | 0 | 105.5 | G8 P12 | G8-F10 VanDerWaalsContact C-N 3.26Å; G8-F10 PolarHBondContact O-N 2.84Å; F10-P12 WeakPolarHBondContact O-CD 3.15Å; F10-P12 VanDerWaalsContact O-CD 3.3Å |
| 11 | W | 66.7 | Low | 70.9 | Confident | 183 Ų | 183 | 125.4 Ų | 125.4 | 69% | 0.693 | 64% | 0.637 | S | S | * | * | | | trans | -44 | 110.3 | 178.3 | -176.5 | -87.8 | 0 | 0 | 0 | 106.5 | F9 S13 | F9-W11 AromaticContact CD1-CE3 3.85Å; F9-W11 PolarHBondContact O-N 2.69Å; F9-W11 HydrophobicContact CE1-CZ3 4.01Å; F9-W11 VanDerWaalsContact CE1-CE3 3.48Å; F9-W11 HydrophobicContact CE1-CE3 3.48Å; F9-W11 AromaticContact CE1-CE3 3.48Å; F9-W11 HydrophobicContact CE1-CD2 4.19Å; F9-W11 HydrophobicContact CD1-CE3 3.85Å; F9-W11 HydrophobicContact CD1-CB 4.31Å; W11-S13 PolarHBondContact O-N 3.37Å |
| 12 | P | 67.5 | Low | 72 | Confident | 45 Ų | 45 | 121.9 Ų | 121.9 | 29% | 0.292 | 62% | 0.615 | S | S | . | * | | | trans | -59 | 110.9 | -178 | 22.4 | -30.4 | 0 | 0 | 0 | 104.8 | F10 R16 | F10-P12 WeakPolarHBondContact O-CD 3.15Å; F10-P12 VanDerWaalsContact O-CD 3.3Å; P12-R16 HydrophobicContact CB-CB 4.34Å |
| 13 | S | 72.3 | Confident | 72.7 | Confident | 51 Ų | 51 | 124 Ų | 124 | 36% | 0.357 | 61% | 0.614 | S | S | . | * | | | trans | -48.2 | 140 | -177.7 | -50.7 | 0 | 0 | 0 | 0 | 107.1 | W11 H15 R16 | W11-S13 PolarHBondContact O-N 3.37Å; S13-H15 CarbonylContact O-C 3.51Å; S13-H15 PolarHBondContact O-N 2.72Å; S13-R16 WeakPolarHBondContact O-CB 3.35Å; S13-R16 PolarHBondContact O-N 2.76Å |
| 14 | P | 69 | Low | 73.1 | Confident | 83 Ų | 83 | 125.6 Ų | 125.6 | 54% | 0.539 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -49.7 | -29.3 | 179.9 | 18.8 | -31.9 | 0 | 0 | 0 | 111.6 | R16 L17 I18 | P14-R16 PolarHBondContact O-N 2.89Å; P14-L17 VanDerWaalsContact O-N 3.09Å; P14-L17 PolarHBondContact O-N 2.89Å; P14-L17 WeakPolarHBondContact O-CB 3.15Å; P14-I18 HydrophobicContact CB-CD1 4.48Å; P14-I18 WeakPolarHBondContact O-CD1 3.31Å; P14-I18 VanDerWaalsContact O-CG1 3.26Å; P14-I18 WeakPolarHBondContact O-CG1 3.26Å; P14-I18 PolarHBondContact O-N 3.33Å |
| 15 | H | 79 | Confident | 73.4 | Confident | 136 Ų | 136 | 123.8 Ų | 123.8 | 63% | 0.63 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -47.9 | -45.2 | 166.5 | -174.1 | -98 | 0 | 0 | 0 | 115.2 | S13 L17 I18 A19 | S13-H15 CarbonylContact O-C 3.51Å; S13-H15 PolarHBondContact O-N 2.72Å; H15-L17 VanDerWaalsContact C-N 3.35Å; H15-L17 PolarHBondContact O-N 3.39Å; H15-I18 PolarHBondContact O-N 3.27Å; H15-A19 PolarHBondContact O-N 2.77Å; H15-A19 WeakPolarHBondContact O-CB 3.49Å |
| 16 | R | 78.3 | Confident | 73.2 | Confident | 156 Ų | 156 | 122 Ų | 122 | 59% | 0.589 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -62.9 | -40.4 | 176.1 | -66.1 | -172.4 | 101 | 179.7 | 6.9 | 111.6 | P12 S13 P14 F20 | P12-R16 HydrophobicContact CB-CB 4.34Å; S13-R16 WeakPolarHBondContact O-CB 3.35Å; S13-R16 PolarHBondContact O-N 2.76Å; P14-R16 PolarHBondContact O-N 2.89Å; R16-F20 VanDerWaalsContact O-CB 3.3Å; R16-F20 WeakPolarHBondContact O-CB 3.19Å; R16-F20 PolarHBondContact O-N 2.69Å |
| 17 | L | 81.5 | Confident | 73.2 | Confident | 103 Ų | 103 | 120.1 Ų | 120.1 | 54% | 0.539 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.8 | -42.1 | 177.7 | -61.1 | 176.4 | 0 | 0 | 0 | 111.2 | P14 H15 F20 K21 | P14-L17 VanDerWaalsContact O-N 3.09Å; P14-L17 PolarHBondContact O-N 2.89Å; P14-L17 WeakPolarHBondContact O-CB 3.15Å; H15-L17 VanDerWaalsContact C-N 3.35Å; H15-L17 PolarHBondContact O-N 3.39Å; L17-F20 PolarHBondContact O-N 3.35Å; L17-K21 WeakPolarHBondContact O-CG 3.26Å; L17-K21 PolarHBondContact O-N 2.87Å |
| 18 | I | 82.6 | Confident | 72.9 | Confident | 107 Ų | 107 | 110.7 Ų | 110.7 | 55% | 0.549 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.6 | -43.6 | 175.9 | -65.5 | 161.2 | 0 | 0 | 0 | 110.3 | P14 H15 K21 K22 | P14-I18 HydrophobicContact CB-CD1 4.48Å; P14-I18 WeakPolarHBondContact O-CD1 3.31Å; P14-I18 VanDerWaalsContact O-CG1 3.26Å; P14-I18 WeakPolarHBondContact O-CG1 3.26Å; P14-I18 PolarHBondContact O-N 3.33Å; H15-I18 PolarHBondContact O-N 3.27Å; I18-K21 CarbonylContact O-C 3.5Å; I18-K21 WeakPolarHBondContact O-CB 3.5Å; I18-K21 PolarHBondContact O-N 2.86Å; I18-K22 WeakPolarHBondContact O-CB 3.43Å; I18-K22 PolarHBondContact O-N 2.78Å; I18-K22 VanDerWaalsContact O-CB 3.31Å |
| 19 | A | 79.5 | Confident | 72.8 | Confident | 42 Ų | 42 | 114 Ų | 114 | 35% | 0.347 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.8 | -35.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | H15 K22 K23 | H15-A19 PolarHBondContact O-N 2.77Å; H15-A19 WeakPolarHBondContact O-CB 3.49Å; A19-K22 CarbonylContact O-C 3.34Å; A19-K22 PolarHBondContact O-N 3.38Å; A19-K23 WeakPolarHBondContact O-CA 3.49Å; A19-K23 WeakPolarHBondContact O-CB 3.3Å; A19-K23 PolarHBondContact O-N 3.48Å |
| 20 | F | 80.4 | Confident | 72.9 | Confident | 133 Ų | 133 | 110.9 Ų | 110.9 | 58% | 0.583 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.7 | -43 | 173.7 | -153.2 | -95 | 0 | 0 | 0 | 111 | R16 L17 K23 I24 | R16-F20 VanDerWaalsContact O-CB 3.3Å; R16-F20 WeakPolarHBondContact O-CB 3.19Å; R16-F20 PolarHBondContact O-N 2.69Å; L17-F20 PolarHBondContact O-N 3.35Å; F20-K23 PolarHBondContact O-N 2.99Å; F20-I24 HydrophobicContact CD1-CG1 4.4Å; F20-I24 PolarHBondContact O-N 3.02Å; F20-I24 WeakPolarHBondContact O-CG1 3.37Å; F20-I24 VanDerWaalsContact O-CG1 3.26Å; F20-I24 HydrophobicContact CE1-CD1 3.76Å; F20-I24 HydrophobicContact CD1-CD1 3.58Å; F20-I24 WeakPolarHBondContact O-CD1 3.49Å |
| 21 | K | 76.6 | Confident | 72.5 | Confident | 151 Ų | 151 | 110.4 Ų | 110.4 | 66% | 0.657 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -59.3 | -47.9 | 170.3 | -72.9 | -177.2 | 179.5 | -169.6 | 0 | 111.1 | L17 I18 K23 I24 T25 | L17-K21 WeakPolarHBondContact O-CG 3.26Å; L17-K21 PolarHBondContact O-N 2.87Å; I18-K21 CarbonylContact O-C 3.5Å; I18-K21 WeakPolarHBondContact O-CB 3.5Å; I18-K21 PolarHBondContact O-N 2.86Å; K21-K23 VanDerWaalsContact C-N 3.3Å; K21-K23 PolarHBondContact O-N 2.79Å; K21-I24 CarbonylContact O-C 3.59Å; K21-I24 PolarHBondContact O-N 3.16Å; K21-I24 VanDerWaalsContact O-N 3.13Å; K21-T25 PolarHBondContact O-N 3.35Å; K21-T25 PolarHBondContact O-OG1 3.09Å; K21-T25 WeakPolarHBondContact O-CB 3.49Å |
| 22 | K | 77.1 | Confident | 72.2 | Confident | 154 Ų | 154 | 109 Ų | 109 | 67% | 0.67 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.9 | -29.4 | 176.8 | -172.1 | 178.6 | 178.8 | 179.7 | 0 | 113.1 | I18 A19 I24 T25 | I18-K22 WeakPolarHBondContact O-CB 3.43Å; I18-K22 PolarHBondContact O-N 2.78Å; I18-K22 VanDerWaalsContact O-CB 3.31Å; A19-K22 CarbonylContact O-C 3.34Å; A19-K22 PolarHBondContact O-N 3.38Å; K22-I24 VanDerWaalsContact C-N 3.35Å; K22-T25 CarbonylContact O-C 3.54Å |
| 23 | K | 76.7 | Confident | 71.7 | Confident | 168 Ų | 168 | 118.1 Ų | 118.1 | 73% | 0.73 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -70.6 | -36.5 | 173.9 | -173.8 | -175.2 | 178.9 | -163.7 | 0 | 110.4 | A19 F20 K21 | A19-K23 WeakPolarHBondContact O-CA 3.49Å; A19-K23 WeakPolarHBondContact O-CB 3.3Å; A19-K23 PolarHBondContact O-N 3.48Å; F20-K23 PolarHBondContact O-N 2.99Å; K21-K23 VanDerWaalsContact C-N 3.3Å; K21-K23 PolarHBondContact O-N 2.79Å |
| 24 | I | 73.8 | Confident | 71.7 | Confident | 115 Ų | 115 | 121.5 Ų | 121.5 | 59% | 0.59 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -76.5 | -36.6 | 173.6 | -62.7 | 159.5 | 0 | 0 | 0 | 111.2 | F20 K21 K22 P26 | F20-I24 HydrophobicContact CD1-CG1 4.4Å; F20-I24 PolarHBondContact O-N 3.02Å; F20-I24 WeakPolarHBondContact O-CG1 3.37Å; F20-I24 VanDerWaalsContact O-CG1 3.26Å; F20-I24 HydrophobicContact CE1-CD1 3.76Å; F20-I24 HydrophobicContact CD1-CD1 3.58Å; F20-I24 WeakPolarHBondContact O-CD1 3.49Å; K21-I24 CarbonylContact O-C 3.59Å; K21-I24 PolarHBondContact O-N 3.16Å; K21-I24 VanDerWaalsContact O-N 3.13Å; K22-I24 VanDerWaalsContact C-N 3.35Å; I24-P26 WeakPolarHBondContact O-CD 3.3Å |
| 25 | T | 73.1 | Confident | 71.8 | Confident | 80 Ų | 80 | 123.5 Ų | 123.5 | 49% | 0.491 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -91.6 | 83.9 | 178.3 | -45 | 0 | 0 | 0 | 0 | 108.4 | K21 K22 L27 | K21-T25 PolarHBondContact O-N 3.35Å; K21-T25 PolarHBondContact O-OG1 3.09Å; K21-T25 WeakPolarHBondContact O-CB 3.49Å; K22-T25 CarbonylContact O-C 3.54Å; T25-L27 VanDerWaalsContact C-N 3.27Å; T25-L27 PolarHBondContact O-N 3.19Å |
| 26 | P | 64 | Low | 71.4 | Confident | 103 Ų | 103 | 122.8 Ų | 122.8 | 67% | 0.669 | 65% | 0.648 | S | S | * | * | | | trans | -81 | 77 | -160 | 33.9 | -23.3 | 0 | 0 | 0 | 108.6 | I24 | I24-P26 WeakPolarHBondContact O-CD 3.3Š|
| 27 | L | 67.9 | Low | 71 | Confident | 119 Ų | 119 | 120.8 Ų | 120.8 | 62% | 0.623 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 65.5 | 133.5 | -165.6 | -47.3 | 150.6 | 0 | 0 | 0 | 109 | T25 | T25-L27 VanDerWaalsContact C-N 3.27Å; T25-L27 PolarHBondContact O-N 3.19Å |
| 28 | G | 62.7 | Low | 70.3 | Confident | 47 Ų | 47 | 121.9 Ų | 121.9 | 49% | 0.485 | 66% | 0.658 | S | S | . | * | | | trans | -52.2 | 148.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | G30 | G28-G30 PolarHBondContact O-N 3.35Š|
| 29 | P | 66 | Low | 69.5 | Low | 145 Ų | 145 | 122.9 Ų | 122.9 | 94% | 0.942 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -63.9 | 72 | 176.3 | 28.2 | -35.9 | 0 | 0 | 0 | 110.5 | | |
| 30 | G | 69.1 | Low | 68.8 | Low | 50 Ų | 50 | 128.7 Ų | 128.7 | 52% | 0.515 | 69% | 0.688 | S | S | . | * | | | trans | -163.5 | 13.8 | -164.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G28 I32 | G28-G30 PolarHBondContact O-N 3.35Å; G30-I32 PolarHBondContact O-N 3.45Å |
| 31 | H | 57.6 | Low | 67.9 | Low | 147 Ų | 147 | 128.4 Ų | 128.4 | 68% | 0.681 | 70% | 0.696 | S | S | * | * | | | trans | -85.8 | 82.6 | 152.4 | -69.5 | 91.4 | 0 | 0 | 0 | 106.8 | | |
| 32 | I | 61.2 | Low | 67.2 | Low | 155 Ų | 155 | 126.5 Ų | 126.5 | 80% | 0.795 | 70% | 0.7 | S | S | * | * | | | trans | -84.3 | 103.7 | 164.7 | -60.7 | 166.1 | 0 | 0 | 0 | 104.8 | G30 | G30-I32 PolarHBondContact O-N 3.45Š|
| 33 | I | 57.1 | Low | 66.3 | Low | 235 Ų | 235 | 124 Ų | 124 | 100% | 1.205 | 70% | 0.702 | S | S | * | * | | | trans | -128.5 | 0 | 148.6 | -57.9 | 172.7 | 0 | 0 | 0 | 105.1 | | |