| 1 | M | 75.9 | Confident | 81.4 | Confident | 183 Ų | 183 | 138.8 Ų | 138.8 | 90% | 0.901 | 65% | 0.652 | S | S | * | * | | | | 0 | -53.1 | 0 | -54 | -40.8 | 176.5 | 0 | 0 | 113.4 | V3 H4 Y5 | M1-V3 PolarHBondContact O-N 3.26Å; M1-H4 PolarHBondContact O-N 3.48Å; M1-Y5 WeakPolarHBondContact O-CD2 3.48Å; M1-Y5 PolarHBondContact O-N 3.36Å; M1-Y5 HydrophobicContact CB-CE2 4.06Å |
| 2 | R | 80.6 | Confident | 80.7 | Confident | 217 Ų | 217 | 140.1 Ų | 140.1 | 82% | 0.819 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -60.8 | -38.8 | -174.4 | -65.7 | 179.7 | 179.1 | 169.8 | -1 | 115.9 | H4 Y5 L6 | R2-H4 VanDerWaalsContact C-N 3.32Å; R2-H4 PolarHBondContact O-N 3.29Å; R2-Y5 PolarHBondContact O-N 3.2Å; R2-L6 PolarHBondContact O-N 3.42Å |
| 3 | V | 84.1 | Confident | 80 | Confident | 112 Ų | 112 | 137.2 Ų | 137.2 | 68% | 0.679 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -65.5 | -34.3 | 179.4 | -177.5 | 0 | 0 | 0 | 0 | 112.3 | M1 L6 W7 | M1-V3 PolarHBondContact O-N 3.26Å; V3-L6 PolarHBondContact O-N 3.46Å; V3-W7 PolarHBondContact O-N 3.08Å; V3-W7 VanDerWaalsContact O-N 3.11Å |
| 4 | H | 86.8 | Confident | 78.8 | Confident | 139 Ų | 139 | 132.6 Ų | 132.6 | 64% | 0.644 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -67.1 | -39.6 | 176.6 | -84.6 | 52.2 | 0 | 0 | 0 | 111.9 | M1 R2 W7 L8 | M1-H4 PolarHBondContact O-N 3.48Å; R2-H4 VanDerWaalsContact C-N 3.32Å; R2-H4 PolarHBondContact O-N 3.29Å; H4-W7 PolarHBondContact O-N 3.03Å; H4-L8 PolarHBondContact O-N 3.37Å |
| 5 | Y | 83.3 | Confident | 78.2 | Confident | 155 Ų | 155 | 131.6 Ų | 131.6 | 61% | 0.608 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -66.9 | -37.9 | 177.6 | -64.3 | -62.8 | 0 | 0 | 0 | 112.2 | M1 R2 L9 | M1-Y5 WeakPolarHBondContact O-CD2 3.48Å; M1-Y5 PolarHBondContact O-N 3.36Å; M1-Y5 HydrophobicContact CB-CE2 4.06Å; R2-Y5 PolarHBondContact O-N 3.2Å; Y5-L9 WeakPolarHBondContact O-CB 3.06Å; Y5-L9 PolarHBondContact O-N 3.11Å; Y5-L9 VanDerWaalsContact O-N 3.08Å |
| 6 | L | 85.9 | Confident | 77.4 | Confident | 126 Ų | 126 | 129.4 Ų | 129.4 | 66% | 0.66 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -64.8 | -40.2 | 175.2 | -72.6 | 169.9 | 0 | 0 | 0 | 112.2 | R2 V3 L9 L10 | R2-L6 PolarHBondContact O-N 3.42Å; V3-L6 PolarHBondContact O-N 3.46Å; L6-L9 PolarHBondContact O-N 3.25Å; L6-L10 PolarHBondContact O-N 3.46Å |
| 7 | W | 80.6 | Confident | 76.6 | Confident | 168 Ų | 168 | 129.2 Ų | 129.2 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -67.4 | -42.6 | 178.3 | -171.4 | 80.1 | 0 | 0 | 0 | 112.3 | V3 H4 L9 L10 I11 | V3-W7 PolarHBondContact O-N 3.08Å; V3-W7 VanDerWaalsContact O-N 3.11Å; H4-W7 PolarHBondContact O-N 3.03Å; W7-L9 VanDerWaalsContact C-N 3.34Å; W7-L9 PolarHBondContact O-N 3.44Å; W7-L10 PolarHBondContact O-N 3.2Å; W7-I11 HydrophobicContact CD2-CD1 3.79Å; W7-I11 HydrophobicContact CE3-CD1 3.58Å; W7-I11 HydrophobicContact CH2-CD1 3.38Å; W7-I11 HydrophobicContact CZ2-CD1 3.58Å; W7-I11 HydrophobicContact CZ3-CD1 3.37Å; W7-I11 PolarHBondContact O-N 3.42Å |
| 8 | L | 80.6 | Confident | 76.2 | Confident | 100 Ų | 100 | 128.9 Ų | 128.9 | 52% | 0.524 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -62.8 | -39 | 175.3 | -79.4 | 166 | 0 | 0 | 0 | 112.7 | H4 L10 I11 L12 | H4-L8 PolarHBondContact O-N 3.37Å; L8-L10 VanDerWaalsContact C-N 3.3Å; L8-L10 PolarHBondContact O-N 3.44Å; L8-I11 PolarHBondContact O-N 3.3Å; L8-L12 PolarHBondContact O-N 3.36Å |
| 9 | L | 81.8 | Confident | 75.2 | Confident | 114 Ų | 114 | 128.1 Ų | 128.1 | 60% | 0.597 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -64 | -37.2 | 178.5 | -135.8 | 118.2 | 0 | 0 | 0 | 111.8 | Y5 L6 W7 L12 V13 | Y5-L9 WeakPolarHBondContact O-CB 3.06Å; Y5-L9 PolarHBondContact O-N 3.11Å; Y5-L9 VanDerWaalsContact O-N 3.08Å; L6-L9 PolarHBondContact O-N 3.25Å; W7-L9 VanDerWaalsContact C-N 3.34Å; W7-L9 PolarHBondContact O-N 3.44Å; L9-L12 PolarHBondContact O-N 3.33Å; L9-V13 PolarHBondContact O-N 3.16Å; L9-V13 WeakPolarHBondContact O-CG2 3.35Å; L9-V13 VanDerWaalsContact O-N 3.16Å |
| 10 | L | 79.4 | Confident | 74.8 | Confident | 121 Ų | 121 | 127.1 Ų | 127.1 | 63% | 0.634 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -67.5 | -37.4 | -179.3 | -168.3 | 67.7 | 0 | 0 | 0 | 112.5 | L6 W7 L8 S14 | L6-L10 PolarHBondContact O-N 3.46Å; W7-L10 PolarHBondContact O-N 3.2Å; L8-L10 VanDerWaalsContact C-N 3.3Å; L8-L10 PolarHBondContact O-N 3.44Å; L10-S14 PolarHBondContact O-N 3.46Å; L10-S14 PolarHBondContact O-OG 3.4Å |
| 11 | I | 76.4 | Confident | 74.2 | Confident | 92 Ų | 92 | 124 Ų | 124 | 47% | 0.472 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -70.4 | -41.6 | 177.6 | -63 | 166.9 | 0 | 0 | 0 | 110.6 | W7 L8 V13 S14 | W7-I11 HydrophobicContact CD2-CD1 3.79Å; W7-I11 HydrophobicContact CE3-CD1 3.58Å; W7-I11 HydrophobicContact CH2-CD1 3.38Å; W7-I11 HydrophobicContact CZ2-CD1 3.58Å; W7-I11 HydrophobicContact CZ3-CD1 3.37Å; W7-I11 PolarHBondContact O-N 3.42Å; L8-I11 PolarHBondContact O-N 3.3Å; I11-V13 VanDerWaalsContact C-N 3.31Å; I11-V13 PolarHBondContact O-N 3.43Å; I11-S14 PolarHBondContact O-N 2.94Å |
| 12 | L | 73.3 | Confident | 73.8 | Confident | 154 Ų | 154 | 120.5 Ų | 120.5 | 81% | 0.806 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.6 | -33.2 | -179 | -172.7 | 66.8 | 0 | 0 | 0 | 112.8 | L8 L9 | L8-L12 PolarHBondContact O-N 3.36Å; L9-L12 PolarHBondContact O-N 3.33Å |
| 13 | V | 71.8 | Confident | 72.8 | Confident | 103 Ų | 103 | 115.4 Ų | 115.4 | 62% | 0.624 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -88.4 | -8.5 | -177.3 | 175 | 0 | 0 | 0 | 0 | 112.4 | L9 I11 P15 | L9-V13 PolarHBondContact O-N 3.16Å; L9-V13 WeakPolarHBondContact O-CG2 3.35Å; L9-V13 VanDerWaalsContact O-N 3.16Å; I11-V13 VanDerWaalsContact C-N 3.31Å; I11-V13 PolarHBondContact O-N 3.43Å; V13-P15 WeakPolarHBondContact O-CD 3.07Å |
| 14 | S | 63.3 | Low | 72.1 | Confident | 73 Ų | 73 | 117 Ų | 117 | 51% | 0.51 | 67% | 0.672 | S | S | . | * | S | Bend | trans | -66.2 | 109 | 175.3 | -67.2 | 0 | 0 | 0 | 0 | 108.8 | L10 I11 S16 | L10-S14 PolarHBondContact O-N 3.46Å; L10-S14 PolarHBondContact O-OG 3.4Å; I11-S14 PolarHBondContact O-N 2.94Å; S14-S16 PolarHBondContact O-N 3.05Å |
| 15 | P | 69 | Low | 70.9 | Confident | 117 Ų | 117 | 115.2 Ų | 115.2 | 76% | 0.76 | 67% | 0.673 | S | S | * | * | | | trans | -59.7 | 122.3 | 177 | 25.6 | -31.4 | 0 | 0 | 0 | 106.5 | V13 | V13-P15 WeakPolarHBondContact O-CD 3.07Š|
| 16 | S | 65.9 | Low | 69.6 | Low | 96 Ų | 96 | 112.1 Ų | 112.1 | 67% | 0.671 | 67% | 0.674 | S | S | * | * | | | trans | -50.9 | 132.1 | 167.2 | -68.2 | 0 | 0 | 0 | 0 | 106.4 | S14 T18 | S14-S16 PolarHBondContact O-N 3.05Å; S16-T18 PolarHBondContact O-N 2.7Å |
| 17 | P | 63.5 | Low | 68.4 | Low | 126 Ų | 126 | 111.5 Ų | 111.5 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | | | trans | -59.1 | 100.4 | 172.7 | 23.8 | -30.9 | 0 | 0 | 0 | 105.9 | S19 | P17-S19 PolarHBondContact O-N 2.76Š|
| 18 | T | 70.4 | Confident | 67.7 | Low | 125 Ų | 125 | 109.6 Ų | 109.6 | 77% | 0.767 | 68% | 0.683 | S | S | * | * | | | trans | -64.4 | 96.7 | 169.4 | -47.9 | 0 | 0 | 0 | 0 | 102.8 | S16 S20 | S16-T18 PolarHBondContact O-N 2.7Å; T18-S20 PolarHBondContact O-N 2.78Å |
| 19 | S | 57.3 | Low | 66.9 | Low | 113 Ų | 113 | 110 Ų | 110 | 79% | 0.79 | 69% | 0.689 | S | S | * | * | | | trans | -58.8 | 94.7 | 171.4 | -172.5 | 0 | 0 | 0 | 0 | 104.7 | P17 G21 | P17-S19 PolarHBondContact O-N 2.76Å; S19-G21 PolarHBondContact O-N 2.72Å |
| 20 | S | 65.8 | Low | 65.8 | Low | 108 Ų | 108 | 109.7 Ų | 109.7 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | | | trans | -67.2 | 80.9 | 166.7 | -75.6 | 0 | 0 | 0 | 0 | 105.2 | T18 S22 | T18-S20 PolarHBondContact O-N 2.78Å; S20-S22 PolarHBondContact O-N 2.79Å |
| 21 | G | 62.9 | Low | 64.7 | Low | 61 Ų | 61 | 110.6 Ų | 110.6 | 63% | 0.629 | 70% | 0.702 | S | S | * | * | | | trans | -66.7 | 72.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108 | S19 S23 | S19-G21 PolarHBondContact O-N 2.72Å; G21-S23 PolarHBondContact O-N 2.99Å |
| 22 | S | 66.9 | Low | 64 | Low | 111 Ų | 111 | 115.2 Ų | 115.2 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | | | trans | -75.2 | 76.4 | 163.9 | -176.4 | 0 | 0 | 0 | 0 | 107.1 | S20 H24 | S20-S22 PolarHBondContact O-N 2.79Å; S22-H24 VanDerWaalsContact C-N 3.26Å; S22-H24 PolarHBondContact O-N 3.26Å |
| 23 | S | 60.4 | Low | 63.1 | Low | 109 Ų | 109 | 112.6 Ų | 112.6 | 76% | 0.762 | 72% | 0.716 | S | S | * | * | | | trans | -86.3 | 83.1 | 163.1 | -54.8 | 0 | 0 | 0 | 0 | 106.3 | G21 P25 | G21-S23 PolarHBondContact O-N 2.99Å; S23-P25 WeakPolarHBondContact O-CD 3.47Å |
| 24 | H | 69.1 | Low | 62.5 | Low | 145 Ų | 145 | 113.3 Ų | 113.3 | 67% | 0.671 | 73% | 0.725 | S | S | * | * | | | trans | -41.8 | 124.2 | 166.1 | -172.3 | -173.2 | 0 | 0 | 0 | 109.4 | S22 S26 | S22-H24 VanDerWaalsContact C-N 3.26Å; S22-H24 PolarHBondContact O-N 3.26Å; H24-S26 VanDerWaalsContact C-N 3.25Å; H24-S26 PolarHBondContact O-N 2.92Å |
| 25 | P | 60.8 | Low | 62 | Low | 103 Ų | 103 | 113.1 Ų | 113.1 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | | | trans | -70.5 | 91.8 | 163.1 | 27.7 | -31.5 | 0 | 0 | 0 | 107.3 | S23 V27 | S23-P25 WeakPolarHBondContact O-CD 3.47Å; P25-V27 HydrophobicContact CB-CG2 4.37Å; P25-V27 PolarHBondContact O-N 3.19Å |
| 26 | S | 57.5 | Low | 61 | Low | 89 Ų | 89 | 119.7 Ų | 119.7 | 62% | 0.622 | 76% | 0.761 | S | S | * | * | | | trans | -71.3 | 76.1 | 159.7 | -75.9 | 0 | 0 | 0 | 0 | 108.2 | H24 T28 | H24-S26 VanDerWaalsContact C-N 3.25Å; H24-S26 PolarHBondContact O-N 2.92Å; S26-T28 PolarHBondContact O-N 2.89Å |
| 27 | V | 60.8 | Low | 60.7 | Low | 114 Ų | 114 | 120.9 Ų | 120.9 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | | | trans | -83.3 | 79.6 | 161.3 | 179.7 | 0 | 0 | 0 | 0 | 106.6 | P25 T29 | P25-V27 HydrophobicContact CB-CG2 4.37Å; P25-V27 PolarHBondContact O-N 3.19Å; V27-T29 VanDerWaalsContact C-N 3.3Å; V27-T29 VanDerWaalsContact CG1-OG1 3.24Å; V27-T29 WeakPolarHBondContact CG1-OG1 3.24Å; V27-T29 PolarHBondContact O-N 3.35Å |
| 28 | T | 65.1 | Low | 60.6 | Low | 128 Ų | 128 | 120.6 Ų | 120.6 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | -82.8 | 83.3 | 155.7 | 9.5 | 0 | 0 | 0 | 0 | 106.5 | S26 | S26-T28 PolarHBondContact O-N 2.89Š|
| 29 | T | 64.3 | Low | 60 | Low | 107 Ų | 107 | 120.4 Ų | 120.4 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | | | trans | -104.3 | 96.9 | 166 | -46.7 | 0 | 0 | 0 | 0 | 107.5 | V27 D31 | V27-T29 VanDerWaalsContact C-N 3.3Å; V27-T29 VanDerWaalsContact CG1-OG1 3.24Å; V27-T29 WeakPolarHBondContact CG1-OG1 3.24Å; V27-T29 PolarHBondContact O-N 3.35Å; T29-D31 VanDerWaalsContact C-N 3.31Å; T29-D31 PolarHBondContact O-N 2.97Å |
| 30 | S | 58.2 | Low | 60.2 | Low | 109 Ų | 109 | 120.8 Ų | 120.8 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | trans | -62.8 | 87.4 | 169.3 | -56.7 | 0 | 0 | 0 | 0 | 109.9 | Q32 | S30-Q32 PolarHBondContact O-N 3.05Š|
| 31 | D | 57.4 | Low | 59.8 | Low | 140 Ų | 140 | 121.6 Ų | 121.6 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | | | trans | -82 | 65.5 | 161 | -124.5 | -79.8 | 0 | 0 | 0 | 108.9 | T29 | T29-D31 VanDerWaalsContact C-N 3.31Å; T29-D31 PolarHBondContact O-N 2.97Å |
| 32 | Q | 60.5 | Low | 59.6 | Low | 189 Ų | 189 | 125.7 Ų | 125.7 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | | | trans | -94.4 | 63.5 | 148.9 | -75.9 | -171.3 | 6.7 | 0 | 0 | 106.7 | S30 C34 | S30-Q32 PolarHBondContact O-N 3.05Å; Q32-C34 PolarHBondContact O-N 3.41Å |
| 33 | S | 55.3 | Low | 59.1 | Low | 98 Ų | 98 | 126.7 Ų | 126.7 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | | | trans | -92 | 90.9 | 164.6 | -169.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 34 | C | 58 | Low | 59 | Low | 119 Ų | 119 | 128.1 Ų | 128.1 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | 11.9 | 114.2 | 142.6 | -147.4 | 0 | 0 | 0 | 0 | 116.8 | Q32 | Q32-C34 PolarHBondContact O-N 3.41Š|
| 35 | G | 52.3 | Low | 58.2 | Low | 68 Ų | 68 | 126.7 Ų | 126.7 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | 46.6 | 105.1 | 145 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 36 | L | 48 | Very low | 57.9 | Low | 256 Ų | 256 | 128.8 Ų | 128.8 | 100% | 1.34 | 79% | 0.789 | S | S | * | * | | | | -140.6 | 0 | 126.2 | -84.9 | 176.2 | 0 | 0 | 0 | 108.7 | | |