| 1 | M | 81.9 | Confident | 85.4 | Confident | 211 Ų | 211 | 117.5 Ų | 117.5 | 100% | 1.039 | 62% | 0.622 | S | S | * | * | | | | 0 | -44.1 | 0 | -62.3 | -143.5 | 170.3 | 0 | 0 | 112.7 | L3 L4 | M1-L3 PolarHBondContact O-N 3.31Å; M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L4 VanDerWaalsContact O-N 3.16Å; M1-L4 PolarHBondContact O-N 3.07Å |
| 2 | L | 90.6 | Very high | 84.8 | Confident | 134 Ų | 134 | 113.1 Ų | 113.1 | 70% | 0.702 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -56.8 | -36.8 | 179.9 | -162.5 | 146.8 | 0 | 0 | 0 | 114.5 | L4 L5 L6 | L2-L4 PolarHBondContact O-N 3.15Å; L2-L4 VanDerWaalsContact C-N 3.31Å; L2-L5 PolarHBondContact O-N 2.62Å; L2-L6 HydrophobicContact CD2-CD1 4.48Å; L2-L6 PolarHBondContact O-N 2.67Å |
| 3 | L | 90.8 | Very high | 83.9 | Confident | 148 Ų | 148 | 113.5 Ų | 113.5 | 78% | 0.775 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -57.4 | -39.9 | 176.9 | -168.6 | 80.8 | 0 | 0 | 0 | 113.3 | M1 L6 L7 | M1-L3 PolarHBondContact O-N 3.31Å; M1-L3 VanDerWaalsContact C-N 3.3Å; L3-L6 PolarHBondContact O-N 2.82Å; L3-L7 PolarHBondContact O-N 3.2Å |
| 4 | L | 88.8 | Confident | 82.8 | Confident | 132 Ų | 132 | 112.6 Ų | 112.6 | 69% | 0.691 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.9 | -38.9 | -179.4 | -101.5 | 157.4 | 0 | 0 | 0 | 111.8 | M1 L2 L6 L7 L8 | M1-L4 VanDerWaalsContact O-N 3.16Å; M1-L4 PolarHBondContact O-N 3.07Å; L2-L4 PolarHBondContact O-N 3.15Å; L2-L4 VanDerWaalsContact C-N 3.31Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L4-L7 PolarHBondContact O-N 2.88Å; L4-L8 PolarHBondContact O-N 2.88Å |
| 5 | L | 86 | Confident | 81.9 | Confident | 121 Ų | 121 | 112.6 Ų | 112.6 | 63% | 0.634 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.6 | -38.6 | 176.2 | -69 | 171.9 | 0 | 0 | 0 | 111.6 | L2 L8 L9 | L2-L5 PolarHBondContact O-N 2.62Å; L5-L8 PolarHBondContact O-N 3.21Å; L5-L9 WeakPolarHBondContact O-CB 2.77Å; L5-L9 PolarHBondContact O-N 3.29Å |
| 6 | L | 87.3 | Confident | 81.1 | Confident | 111 Ų | 111 | 111.9 Ų | 111.9 | 58% | 0.581 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.6 | -37.1 | -180 | -153.4 | 138.8 | 0 | 0 | 0 | 111.7 | L2 L3 L4 S10 | L2-L6 HydrophobicContact CD2-CD1 4.48Å; L2-L6 PolarHBondContact O-N 2.67Å; L3-L6 PolarHBondContact O-N 2.82Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L6-S10 PolarHBondContact O-N 3.07Å; L6-S10 PolarHBondContact O-OG 2.83Å |
| 7 | L | 87.2 | Confident | 80.3 | Confident | 109 Ų | 109 | 109.8 Ų | 109.8 | 57% | 0.571 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.4 | -42.9 | 172.1 | -172.1 | 70.9 | 0 | 0 | 0 | 111.7 | L3 L4 S10 T11 | L3-L7 PolarHBondContact O-N 3.2Å; L4-L7 PolarHBondContact O-N 2.88Å; L7-S10 PolarHBondContact O-N 2.79Å; L7-S10 PolarHBondContact O-OG 2.91Å; L7-T11 PolarHBondContact O-OG1 3.24Å; L7-T11 PolarHBondContact O-N 3.3Å; L7-T11 WeakPolarHBondContact O-CG2 3.44Å; L7-T11 VanDerWaalsContact O-N 3.13Å |
| 8 | L | 86.5 | Confident | 79.3 | Confident | 112 Ų | 112 | 110.1 Ų | 110.1 | 59% | 0.586 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.2 | -45 | 177.2 | -171.9 | 65.5 | 0 | 0 | 0 | 111 | L4 L5 S10 T11 T12 | L4-L8 PolarHBondContact O-N 2.88Å; L5-L8 PolarHBondContact O-N 3.21Å; L8-S10 PolarHBondContact O-N 3.24Å; L8-T11 PolarHBondContact O-N 3.42Å; L8-T11 PolarHBondContact O-OG1 3.48Å; L8-T12 WeakPolarHBondContact O-CG2 3.36Å; L8-T12 PolarHBondContact O-N 3.06Å |
| 9 | L | 83.1 | Confident | 78.5 | Confident | 96 Ų | 96 | 114.7 Ų | 114.7 | 50% | 0.503 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59.9 | -44.3 | 177.6 | -174.6 | 64.4 | 0 | 0 | 0 | 111.7 | L5 T11 T12 Q13 | L5-L9 WeakPolarHBondContact O-CB 2.77Å; L5-L9 PolarHBondContact O-N 3.29Å; L9-T11 VanDerWaalsContact C-N 3.33Å; L9-T11 PolarHBondContact O-N 3.49Å; L9-T12 PolarHBondContact O-N 3.04Å; L9-T12 PolarHBondContact O-OG1 3.41Å; L9-T12 WeakPolarHBondContact CA-OG1 3.48Å; L9-Q13 WeakPolarHBondContact O-CG 3.44Å; L9-Q13 PolarHBondContact O-N 3.06Å |
| 10 | S | 78.8 | Confident | 77.6 | Confident | 46 Ų | 46 | 113.6 Ų | 113.6 | 32% | 0.322 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.1 | -37.3 | 179.1 | 67.9 | 0 | 0 | 0 | 0 | 112.4 | L6 L7 L8 Q13 L14 | L6-S10 PolarHBondContact O-N 3.07Å; L6-S10 PolarHBondContact O-OG 2.83Å; L7-S10 PolarHBondContact O-N 2.79Å; L7-S10 PolarHBondContact O-OG 2.91Å; L8-S10 PolarHBondContact O-N 3.24Å; S10-Q13 PolarHBondContact O-N 2.74Å; S10-L14 WeakPolarHBondContact O-CG 3.48Å; S10-L14 PolarHBondContact O-N 3.42Å |
| 11 | T | 78.9 | Confident | 76.8 | Confident | 72 Ų | 72 | 115.8 Ų | 115.8 | 44% | 0.442 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.5 | -40.6 | 174.3 | 59.6 | 0 | 0 | 0 | 0 | 112.5 | L7 L8 L9 Q13 L14 D15 | L7-T11 PolarHBondContact O-OG1 3.24Å; L7-T11 PolarHBondContact O-N 3.3Å; L7-T11 WeakPolarHBondContact O-CG2 3.44Å; L7-T11 VanDerWaalsContact O-N 3.13Å; L8-T11 PolarHBondContact O-N 3.42Å; L8-T11 PolarHBondContact O-OG1 3.48Å; L9-T11 VanDerWaalsContact C-N 3.33Å; L9-T11 PolarHBondContact O-N 3.49Å; T11-Q13 PolarHBondContact O-N 2.91Å; T11-L14 PolarHBondContact O-N 3.45Å; T11-D15 PolarHBondContact O-N 3.01Å |
| 12 | T | 77.4 | Confident | 75.4 | Confident | 65 Ų | 65 | 106.2 Ų | 106.2 | 40% | 0.399 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.1 | -35.6 | 177.2 | 59.6 | 0 | 0 | 0 | 0 | 113.1 | L8 L9 L16 | L8-T12 WeakPolarHBondContact O-CG2 3.36Å; L8-T12 PolarHBondContact O-N 3.06Å; L9-T12 PolarHBondContact O-N 3.04Å; L9-T12 PolarHBondContact O-OG1 3.41Å; L9-T12 WeakPolarHBondContact CA-OG1 3.48Å; T12-L16 PolarHBondContact O-N 3.25Å; T12-L16 WeakPolarHBondContact O-CB 3.21Å; T12-L16 VanDerWaalsContact O-N 3.07Å |
| 13 | Q | 73.1 | Confident | 74 | Confident | 118 Ų | 118 | 107 Ų | 107 | 55% | 0.551 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70.5 | -39.5 | 176.8 | -73.1 | -179.1 | -15.7 | 0 | 0 | 112 | L9 S10 T11 L17 | L9-Q13 WeakPolarHBondContact O-CG 3.44Å; L9-Q13 PolarHBondContact O-N 3.06Å; S10-Q13 PolarHBondContact O-N 2.74Å; T11-Q13 PolarHBondContact O-N 2.91Å; Q13-L17 VanDerWaalsContact O-CB 3.29Å; Q13-L17 WeakPolarHBondContact O-CB 3.44Å; Q13-L17 PolarHBondContact O-N 3.42Å |
| 14 | L | 69.3 | Low | 72.4 | Confident | 101 Ų | 101 | 102 Ų | 102 | 53% | 0.529 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 175.7 | -73.2 | 171.2 | 0 | 0 | 0 | 111.3 | S10 T11 L17 I18 | S10-L14 WeakPolarHBondContact O-CG 3.48Å; S10-L14 PolarHBondContact O-N 3.42Å; T11-L14 PolarHBondContact O-N 3.45Å; L14-L17 PolarHBondContact O-N 3.03Å; L14-I18 WeakPolarHBondContact O-CB 3.29Å; L14-I18 WeakPolarHBondContact O-CD1 3.44Å; L14-I18 WeakPolarHBondContact O-CG1 3.46Å; L14-I18 PolarHBondContact O-N 3.45Å |
| 15 | D | 69.4 | Low | 70.8 | Confident | 113 Ų | 113 | 100.1 Ų | 100.1 | 60% | 0.604 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.6 | -44.2 | 177.7 | -162.7 | -114 | 0 | 0 | 0 | 112 | T11 L17 I18 W19 | T11-D15 PolarHBondContact O-N 3.01Å; D15-L17 VanDerWaalsContact C-N 3.33Å; D15-L17 PolarHBondContact O-N 3.44Å; D15-I18 CarbonylContact O-C 3.49Å; D15-I18 PolarHBondContact O-N 3.2Å; D15-W19 WeakPolarHBondContact O-CB 3.44Å; D15-W19 PolarHBondContact O-N 3.34Å |
| 16 | L | 67.8 | Low | 69.3 | Low | 101 Ų | 101 | 98.9 Ų | 98.9 | 53% | 0.529 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.9 | -38.6 | 172.7 | -81.8 | 161.8 | 0 | 0 | 0 | 112.6 | T12 W19 T20 | T12-L16 PolarHBondContact O-N 3.25Å; T12-L16 WeakPolarHBondContact O-CB 3.21Å; T12-L16 VanDerWaalsContact O-N 3.07Å; L16-W19 PolarHBondContact O-N 3.13Å; L16-T20 PolarHBondContact O-OG1 2.91Å; L16-T20 PolarHBondContact O-N 3.42Å; L16-T20 WeakPolarHBondContact O-CB 3.5Å; L16-T20 WeakPolarHBondContact O-CG2 3.42Å |
| 17 | L | 68.4 | Low | 67.9 | Low | 77 Ų | 77 | 104 Ų | 104 | 40% | 0.403 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.9 | -40.5 | 176 | -173.8 | 65.6 | 0 | 0 | 0 | 111.2 | Q13 L14 D15 W19 T20 K21 | Q13-L17 VanDerWaalsContact O-CB 3.29Å; Q13-L17 WeakPolarHBondContact O-CB 3.44Å; Q13-L17 PolarHBondContact O-N 3.42Å; L14-L17 PolarHBondContact O-N 3.03Å; D15-L17 VanDerWaalsContact C-N 3.33Å; D15-L17 PolarHBondContact O-N 3.44Å; L17-W19 VanDerWaalsContact C-N 3.26Å; L17-W19 PolarHBondContact O-N 2.72Å; L17-T20 WeakPolarHBondContact CA-OG1 3.33Å; L17-T20 PolarHBondContact O-OG1 3.07Å; L17-K21 WeakPolarHBondContact O-CG 3.4Å; L17-K21 PolarHBondContact O-N 3.46Å; L17-K21 WeakPolarHBondContact O-CB 3.18Å; L17-K21 HydrophobicContact CG-CD 4.12Å; L17-K21 HydrophobicContact CD1-CG 4.2Å; L17-K21 HydrophobicContact CD1-CD 3.92Å |
| 18 | I | 62.4 | Low | 66.4 | Low | 114 Ų | 114 | 107.6 Ų | 107.6 | 59% | 0.585 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -70.6 | -22.5 | 174.2 | -66.8 | 162.8 | 0 | 0 | 0 | 111 | L14 D15 G22 | L14-I18 WeakPolarHBondContact O-CB 3.29Å; L14-I18 WeakPolarHBondContact O-CD1 3.44Å; L14-I18 WeakPolarHBondContact O-CG1 3.46Å; L14-I18 PolarHBondContact O-N 3.45Å; D15-I18 CarbonylContact O-C 3.49Å; D15-I18 PolarHBondContact O-N 3.2Å; I18-G22 WeakPolarHBondContact O-CA 3.4Å; I18-G22 PolarHBondContact O-N 3.01Å |
| 19 | W | 63.8 | Low | 65 | Low | 199 Ų | 199 | 109.4 Ų | 109.4 | 75% | 0.754 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -80.8 | -44.4 | 173 | -177.3 | 65.3 | 0 | 0 | 0 | 111.9 | D15 L16 L17 G22 | D15-W19 WeakPolarHBondContact O-CB 3.44Å; D15-W19 PolarHBondContact O-N 3.34Å; L16-W19 PolarHBondContact O-N 3.13Å; L17-W19 VanDerWaalsContact C-N 3.26Å; L17-W19 PolarHBondContact O-N 2.72Å; W19-G22 PolarHBondContact O-N 3.36Å |
| 20 | T | 61.3 | Low | 63.6 | Low | 92 Ų | 92 | 113.3 Ų | 113.3 | 56% | 0.564 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -71.1 | -31.9 | 177.5 | 52.9 | 0 | 0 | 0 | 0 | 113.3 | L16 L17 | L16-T20 PolarHBondContact O-OG1 2.91Å; L16-T20 PolarHBondContact O-N 3.42Å; L16-T20 WeakPolarHBondContact O-CB 3.5Å; L16-T20 WeakPolarHBondContact O-CG2 3.42Å; L17-T20 WeakPolarHBondContact CA-OG1 3.33Å; L17-T20 PolarHBondContact O-OG1 3.07Å |
| 21 | K | 59.5 | Low | 62.6 | Low | 160 Ų | 160 | 116.3 Ų | 116.3 | 70% | 0.696 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -95.1 | -6.5 | 167.7 | -61.9 | -176.6 | 174.7 | 175.3 | 0 | 113.1 | L17 | L17-K21 WeakPolarHBondContact O-CG 3.4Å; L17-K21 PolarHBondContact O-N 3.46Å; L17-K21 WeakPolarHBondContact O-CB 3.18Å; L17-K21 HydrophobicContact CG-CD 4.12Å; L17-K21 HydrophobicContact CD1-CG 4.2Å; L17-K21 HydrophobicContact CD1-CD 3.92Å |
| 22 | G | 52.9 | Low | 61.8 | Low | 10 Ų | 10 | 121 Ų | 121 | 10% | 0.103 | 64% | 0.64 | C | S | . | * | S | Bend | trans | -63.8 | 174.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | I18 W19 G24 | I18-G22 WeakPolarHBondContact O-CA 3.4Å; I18-G22 PolarHBondContact O-N 3.01Å; W19-G22 PolarHBondContact O-N 3.36Å; G22-G24 PolarHBondContact O-N 3.33Å |
| 23 | P | 60.4 | Low | 60.8 | Low | 149 Ų | 149 | 126 Ų | 126 | 97% | 0.968 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 62.8 | -160.4 | 29.6 | -36.3 | 0 | 0 | 0 | 114.1 | | |
| 24 | G | 57.5 | Low | 59.5 | Low | 44 Ų | 44 | 126.4 Ų | 126.4 | 45% | 0.454 | 70% | 0.7 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -128.3 | 3.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113 | G22 S26 | G22-G24 PolarHBondContact O-N 3.33Å; G24-S26 PolarHBondContact O-N 3.25Å; G24-S26 VanDerWaalsContact O-N 3.15Å |
| 25 | S | 55.2 | Low | 59 | Low | 92 Ų | 92 | 127.7 Ų | 127.7 | 64% | 0.643 | 71% | 0.708 | S | S | * | * | | | trans | -85.1 | 33.9 | 174.2 | -164.4 | 0 | 0 | 0 | 0 | 113.9 | Y27 | S25-Y27 PolarHBondContact O-N 3.26Å; S25-Y27 VanDerWaalsContact O-N 3.07Å |
| 26 | S | 55.8 | Low | 58.5 | Low | 96 Ų | 96 | 128.4 Ų | 128.4 | 67% | 0.671 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -65.2 | 5.7 | 162.2 | -63.4 | 0 | 0 | 0 | 0 | 113.2 | G24 Q28 | G24-S26 PolarHBondContact O-N 3.25Å; G24-S26 VanDerWaalsContact O-N 3.15Å; S26-Q28 PolarHBondContact O-N 3.16Å |
| 27 | Y | 57.2 | Low | 57.9 | Low | 218 Ų | 218 | 129.9 Ų | 129.9 | 86% | 0.855 | 72% | 0.724 | S | S | * | * | G | 310 helix | trans | -74.3 | -0.9 | 174.9 | -79.6 | -77.6 | 0 | 0 | 0 | 114.9 | S25 | S25-Y27 PolarHBondContact O-N 3.26Å; S25-Y27 VanDerWaalsContact O-N 3.07Å |
| 28 | Q | 55.8 | Low | 57.3 | Low | 185 Ų | 185 | 133.1 Ų | 133.1 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -114.1 | 12.8 | 176.5 | -134 | -177 | 24.3 | 0 | 0 | 115.1 | S26 | S26-Q28 PolarHBondContact O-N 3.16Š|
| 29 | N | 57.6 | Low | 57 | Low | 150 Ų | 150 | 134.3 Ų | 134.3 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -132.2 | 56.5 | 168 | -159 | 15.7 | 0 | 0 | 0 | 111.8 | | |
| 30 | Q | 53.9 | Low | 56.6 | Low | 177 Ų | 177 | 129.9 Ų | 129.9 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -132.1 | 122.8 | 156.4 | -70.3 | -166.3 | 49.8 | 0 | 0 | 108.9 | | |
| 31 | S | 57.5 | Low | 56.2 | Low | 109 Ų | 109 | 132.6 Ų | 132.6 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | | | trans | 84.3 | 63.7 | 160.5 | -156.8 | 0 | 0 | 0 | 0 | 119.3 | | |
| 32 | I | 61.7 | Low | 56 | Low | 170 Ų | 170 | 130.5 Ų | 130.5 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | | | trans | -124.5 | 61.2 | 137.6 | 8 | 170.2 | 0 | 0 | 0 | 108.2 | | |
| 33 | N | 57.2 | Low | 56.2 | Low | 171 Ų | 171 | 140.6 Ų | 140.6 | 91% | 0.914 | 83% | 0.828 | S | S | * | * | | | trans | -124.3 | 56.2 | 156.2 | -149.7 | -3.4 | 0 | 0 | 0 | 107.2 | | |
| 34 | G | 45.1 | Very low | 55.8 | Low | 126 Ų | 126 | 139.8 Ų | 139.8 | 100% | 1.299 | 82% | 0.815 | S | S | * | * | | | trans | -151.6 | 0 | 170.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |