| 1 | M | 53.4 | Low | 75.1 | Confident | 236 Ų | 236 | 119.3 Ų | 119.3 | 100% | 1.163 | 66% | 0.66 | S | S | * | * | | | | 0 | 96.7 | 0 | -73.1 | 159.2 | 158.3 | 0 | 0 | 107.9 | P3 | M1-P3 WeakPolarHBondContact O-CD 3.11Š|
| 2 | T | 57 | Low | 76.2 | Confident | 116 Ų | 116 | 118.7 Ų | 118.7 | 71% | 0.712 | 65% | 0.654 | S | S | * | * | | | trans | -112.6 | 65.7 | 173.2 | 45.1 | 0 | 0 | 0 | 0 | 109.6 | S4 | T2-S4 PolarHBondContact O-N 3.32Š|
| 3 | P | 63 | Low | 76.9 | Confident | 97 Ų | 97 | 113.5 Ų | 113.5 | 63% | 0.63 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.8 | -13.2 | -179.9 | 31 | -35.9 | 0 | 0 | 0 | 112.9 | M1 | M1-P3 WeakPolarHBondContact O-CD 3.11Å |
| 4 | S | 67.3 | Low | 77.5 | Confident | 100 Ų | 100 | 108.4 Ų | 108.4 | 70% | 0.699 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -80 | -39.5 | -168.3 | -162.2 | 0 | 0 | 0 | 0 | 113.5 | T2 G8 | T2-S4 PolarHBondContact O-N 3.32Å; S4-G8 PolarHBondContact O-N 3.4Å |
| 5 | I | 72.1 | Confident | 77.9 | Confident | 123 Ų | 123 | 108.7 Ų | 108.7 | 63% | 0.631 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -75.1 | -42.9 | -178.4 | -87.6 | 157.2 | 0 | 0 | 0 | 111.9 | W7 G8 L9 | I5-W7 PolarHBondContact O-N 3.02Å; I5-G8 PolarHBondContact O-N 3.18Å; I5-L9 HydrophobicContact CG2-CD1 3.86Å; I5-L9 HydrophobicContact CG2-CG 4.36Å; I5-L9 WeakPolarHBondContact O-CG 3.49Å; I5-L9 PolarHBondContact O-N 3.29Å |
| 6 | S | 79.4 | Confident | 78 | Confident | 80 Ų | 80 | 106.8 Ų | 106.8 | 56% | 0.559 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.3 | -33.5 | -179.4 | -57.7 | 0 | 0 | 0 | 0 | 112 | L10 | S6-L10 WeakPolarHBondContact O-CB 3.36Å; S6-L10 PolarHBondContact O-N 3.45Å; S6-L10 VanDerWaalsContact O-N 3.09Å |
| 7 | W | 82.6 | Confident | 77.7 | Confident | 184 Ų | 184 | 105.9 Ų | 105.9 | 70% | 0.697 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -74 | -39.8 | 177.4 | -158.7 | 19.4 | 0 | 0 | 0 | 112.4 | I5 L9 L10 L11 | I5-W7 PolarHBondContact O-N 3.02Å; W7-L9 PolarHBondContact O-N 2.77Å; W7-L10 PolarHBondContact O-N 3.39Å; W7-L11 WeakPolarHBondContact O-CG 3.44Å; W7-L11 PolarHBondContact O-N 3.14Å |
| 8 | G | 88.3 | Confident | 77.2 | Confident | 40 Ų | 40 | 108 Ų | 108 | 41% | 0.412 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -61.8 | -41.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S4 I5 L11 L12 | S4-G8 PolarHBondContact O-N 3.4Å; I5-G8 PolarHBondContact O-N 3.18Å; G8-L11 PolarHBondContact O-N 3.21Å; G8-L12 WeakPolarHBondContact O-CB 3.38Å; G8-L12 PolarHBondContact O-N 3.42Å |
| 9 | L | 87.2 | Confident | 76.7 | Confident | 109 Ų | 109 | 107.2 Ų | 107.2 | 57% | 0.571 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.6 | -36.5 | 176.2 | -68 | 175.4 | 0 | 0 | 0 | 112.4 | I5 W7 L12 A13 | I5-L9 HydrophobicContact CG2-CD1 3.86Å; I5-L9 HydrophobicContact CG2-CG 4.36Å; I5-L9 WeakPolarHBondContact O-CG 3.49Å; I5-L9 PolarHBondContact O-N 3.29Å; W7-L9 PolarHBondContact O-N 2.77Å; L9-L12 PolarHBondContact O-N 3.07Å; L9-A13 PolarHBondContact O-N 2.94Å; L9-A13 WeakPolarHBondContact O-CB 3.3Å |
| 10 | L | 86.9 | Confident | 76 | Confident | 126 Ų | 126 | 105.1 Ų | 105.1 | 66% | 0.66 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.7 | -41.2 | 176.8 | -156.1 | 76.8 | 0 | 0 | 0 | 111.7 | S6 W7 A13 G14 | S6-L10 WeakPolarHBondContact O-CB 3.36Å; S6-L10 PolarHBondContact O-N 3.45Å; S6-L10 VanDerWaalsContact O-N 3.09Å; W7-L10 PolarHBondContact O-N 3.39Å; L10-A13 PolarHBondContact O-N 2.94Å; L10-G14 PolarHBondContact O-N 2.85Å |
| 11 | L | 88.4 | Confident | 75.3 | Confident | 101 Ų | 101 | 103.6 Ų | 103.6 | 53% | 0.529 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.4 | -46 | 173.3 | -70.6 | 172 | 0 | 0 | 0 | 111.1 | W7 G8 A13 G14 L15 | W7-L11 WeakPolarHBondContact O-CG 3.44Å; W7-L11 PolarHBondContact O-N 3.14Å; G8-L11 PolarHBondContact O-N 3.21Å; L11-A13 PolarHBondContact O-N 3.33Å; L11-G14 PolarHBondContact O-N 3.43Å; L11-L15 WeakPolarHBondContact O-CD1 3.08Å; L11-L15 PolarHBondContact O-N 3.48Å; L11-L15 VanDerWaalsContact O-N 3.07Å |
| 12 | L | 88.3 | Confident | 75.7 | Confident | 112 Ų | 112 | 99.6 Ų | 99.6 | 59% | 0.586 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.5 | -41.7 | 178.4 | -174 | 62.6 | 0 | 0 | 0 | 111.7 | G8 L9 L15 C16 | G8-L12 WeakPolarHBondContact O-CB 3.38Å; G8-L12 PolarHBondContact O-N 3.42Å; L9-L12 PolarHBondContact O-N 3.07Å; L12-L15 PolarHBondContact O-N 3.39Å; L12-C16 WeakPolarHBondContact O-CB 3.08Å; L12-C16 PolarHBondContact O-N 2.79Å |
| 13 | A | 85.9 | Confident | 75.7 | Confident | 51 Ų | 51 | 99.1 Ų | 99.1 | 42% | 0.421 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.7 | -40 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | L9 L10 L11 C16 C17 | L9-A13 PolarHBondContact O-N 2.94Å; L9-A13 WeakPolarHBondContact O-CB 3.3Å; L10-A13 PolarHBondContact O-N 2.94Å; L11-A13 PolarHBondContact O-N 3.33Å; A13-C16 CarbonylContact O-C 3.53Å; A13-C16 PolarHBondContact O-N 2.96Å; A13-C17 WeakPolarHBondContact O-CB 2.72Å; A13-C17 PolarHBondContact O-N 3.14Å; A13-C17 PolarHBondContact O-SG 3.26Å; A13-C17 VanDerWaalsContact O-SG 3.33Å |
| 14 | G | 85.1 | Confident | 75.6 | Confident | 42 Ų | 42 | 96.8 Ų | 96.8 | 43% | 0.433 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.3 | -47 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | L10 L11 C17 M18 | L10-G14 PolarHBondContact O-N 2.85Å; L11-G14 PolarHBondContact O-N 3.43Å; G14-C17 PolarHBondContact O-N 3.41Å; G14-M18 PolarHBondContact O-N 3.46Å |
| 15 | L | 83.9 | Confident | 75.1 | Confident | 114 Ų | 114 | 98 Ų | 98 | 60% | 0.597 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66 | -41.9 | 174.9 | -83.7 | 86.9 | 0 | 0 | 0 | 111.8 | L11 L12 C17 M18 V19 | L11-L15 WeakPolarHBondContact O-CD1 3.08Å; L11-L15 PolarHBondContact O-N 3.48Å; L11-L15 VanDerWaalsContact O-N 3.07Å; L12-L15 PolarHBondContact O-N 3.39Å; L15-C17 PolarHBondContact O-N 3.29Å; L15-M18 PolarHBondContact O-N 3.34Å; L15-M18 VanDerWaalsContact O-N 3.14Å; L15-V19 WeakPolarHBondContact O-CG2 2.87Å; L15-V19 PolarHBondContact O-N 3.38Å |
| 16 | C | 79.7 | Confident | 74.3 | Confident | 77 Ų | 77 | 97 Ų | 97 | 52% | 0.52 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -70.9 | -13.5 | 178.4 | -163.6 | 0 | 0 | 0 | 0 | 112.7 | L12 A13 P20 | L12-C16 WeakPolarHBondContact O-CB 3.08Å; L12-C16 PolarHBondContact O-N 2.79Å; A13-C16 CarbonylContact O-C 3.53Å; A13-C16 PolarHBondContact O-N 2.96Å; C16-P20 WeakPolarHBondContact O-CD 3.11Å; C16-P20 WeakPolarHBondContact O-CG 3.41Å |
| 17 | C | 72.3 | Confident | 73.3 | Confident | 93 Ų | 93 | 97.5 Ų | 97.5 | 63% | 0.628 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -85 | -34.3 | 167.2 | -76.7 | 0 | 0 | 0 | 0 | 111.7 | A13 G14 L15 S21 | A13-C17 WeakPolarHBondContact O-CB 2.72Å; A13-C17 PolarHBondContact O-N 3.14Å; A13-C17 PolarHBondContact O-SG 3.26Å; A13-C17 VanDerWaalsContact O-SG 3.33Å; G14-C17 PolarHBondContact O-N 3.41Å; L15-C17 PolarHBondContact O-N 3.29Å; C17-S21 WeakPolarHBondContact O-CB 3.36Å; C17-S21 PolarHBondContact O-N 2.87Å |
| 18 | M | 68.3 | Low | 72 | Confident | 143 Ų | 143 | 95.4 Ų | 95.4 | 70% | 0.704 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70 | -41.3 | 175 | -89.2 | -168.8 | 84.2 | 0 | 0 | 112.9 | G14 L15 S21 F22 | G14-M18 PolarHBondContact O-N 3.46Å; L15-M18 PolarHBondContact O-N 3.34Å; L15-M18 VanDerWaalsContact O-N 3.14Å; M18-S21 PolarHBondContact O-N 3.4Å; M18-F22 PolarHBondContact O-N 3.4Å |
| 19 | V | 67.4 | Low | 70.4 | Confident | 93 Ų | 93 | 100.4 Ų | 100.4 | 56% | 0.564 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.5 | -51.9 | -177.1 | 167.4 | 0 | 0 | 0 | 0 | 113.4 | L15 S21 F22 L23 | L15-V19 WeakPolarHBondContact O-CG2 2.87Å; L15-V19 PolarHBondContact O-N 3.38Å; V19-S21 VanDerWaalsContact C-N 3.34Å; V19-F22 PolarHBondContact O-N 2.94Å; V19-L23 PolarHBondContact O-N 3.46Å; V19-L23 VanDerWaalsContact O-N 3.07Å |
| 20 | P | 63.3 | Low | 68.7 | Low | 64 Ų | 64 | 100.3 Ų | 100.3 | 42% | 0.416 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.6 | -26.8 | 176.6 | 4.7 | 3.6 | 0 | 0 | 0 | 112.6 | C16 L23 A24 | C16-P20 WeakPolarHBondContact O-CD 3.11Å; C16-P20 WeakPolarHBondContact O-CG 3.41Å; P20-L23 PolarHBondContact O-N 3.5Å; P20-A24 WeakPolarHBondContact O-CB 3.4Å; P20-A24 PolarHBondContact O-N 3.23Å |
| 21 | S | 61.6 | Low | 67.1 | Low | 74 Ų | 74 | 100.8 Ų | 100.8 | 52% | 0.517 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.2 | -39.9 | 173.5 | -159.6 | 0 | 0 | 0 | 0 | 111.1 | C17 M18 V19 A24 E25 | C17-S21 WeakPolarHBondContact O-CB 3.36Å; C17-S21 PolarHBondContact O-N 2.87Å; M18-S21 PolarHBondContact O-N 3.4Å; V19-S21 VanDerWaalsContact C-N 3.34Å; S21-A24 PolarHBondContact O-N 3.33Å; S21-E25 VanDerWaalsContact O-CB 3.3Å; S21-E25 PolarHBondContact O-N 3.06Å; S21-E25 WeakPolarHBondContact O-CB 3.39Å |
| 22 | F | 61.1 | Low | 65.4 | Low | 153 Ų | 153 | 101.7 Ų | 101.7 | 67% | 0.671 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.6 | -40.4 | 175.1 | -148.3 | -94.7 | 0 | 0 | 0 | 111.7 | M18 V19 D26 | M18-F22 PolarHBondContact O-N 3.4Å; V19-F22 PolarHBondContact O-N 2.94Å; F22-D26 WeakPolarHBondContact O-CB 3.42Å; F22-D26 PolarHBondContact O-N 2.95Å; F22-D26 VanDerWaalsContact O-N 3.14Å |
| 23 | L | 58.5 | Low | 63.9 | Low | 106 Ų | 106 | 101.6 Ų | 101.6 | 56% | 0.555 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.9 | -37.1 | 174.7 | -109.9 | 160.3 | 0 | 0 | 0 | 112.8 | V19 P20 V27 | V19-L23 PolarHBondContact O-N 3.46Å; V19-L23 VanDerWaalsContact O-N 3.07Å; P20-L23 PolarHBondContact O-N 3.5Å; L23-V27 HydrophobicContact CD2-CG2 4.46Å; L23-V27 WeakPolarHBondContact O-CB 3.45Å; L23-V27 WeakPolarHBondContact O-CG2 3.33Å; L23-V27 PolarHBondContact O-N 3.07Å |
| 24 | A | 59 | Low | 62.3 | Low | 47 Ų | 47 | 107.7 Ų | 107.7 | 39% | 0.388 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -77.4 | -28.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P20 S21 Q28 | P20-A24 WeakPolarHBondContact O-CB 3.4Å; P20-A24 PolarHBondContact O-N 3.23Å; S21-A24 PolarHBondContact O-N 3.33Å; A24-Q28 PolarHBondContact O-N 3.49Å; A24-Q28 WeakPolarHBondContact O-CB 3.15Å |
| 25 | E | 57.4 | Low | 60.5 | Low | 126 Ų | 126 | 115.1 Ų | 115.1 | 59% | 0.589 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.3 | -47 | 170.6 | -166.7 | 161 | 85 | 0 | 0 | 110.1 | S21 V27 Q28 E29 | S21-E25 VanDerWaalsContact O-CB 3.3Å; S21-E25 PolarHBondContact O-N 3.06Å; S21-E25 WeakPolarHBondContact O-CB 3.39Å; E25-V27 PolarHBondContact O-N 3.21Å; E25-Q28 PolarHBondContact O-N 3.02Å; E25-E29 WeakPolarHBondContact O-CG 3.39Å; E25-E29 PolarHBondContact O-N 3.27Å |
| 26 | D | 56.5 | Low | 58.8 | Low | 102 Ų | 102 | 120.5 Ų | 120.5 | 55% | 0.545 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -64 | -35.7 | 177.5 | -165.6 | -102.3 | 0 | 0 | 0 | 113.2 | F22 T30 | F22-D26 WeakPolarHBondContact O-CB 3.42Å; F22-D26 PolarHBondContact O-N 2.95Å; F22-D26 VanDerWaalsContact O-N 3.14Å; D26-T30 PolarHBondContact O-OG1 3.3Å |
| 27 | V | 58.4 | Low | 57.8 | Low | 90 Ų | 90 | 122.7 Ų | 122.7 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -75.5 | -33.4 | 177.5 | 173.1 | 0 | 0 | 0 | 0 | 112.5 | L23 E25 T30 | L23-V27 HydrophobicContact CD2-CG2 4.46Å; L23-V27 WeakPolarHBondContact O-CB 3.45Å; L23-V27 WeakPolarHBondContact O-CG2 3.33Å; L23-V27 PolarHBondContact O-N 3.07Å; E25-V27 PolarHBondContact O-N 3.21Å; V27-T30 PolarHBondContact O-N 3.32Å |
| 28 | Q | 54.9 | Low | 57 | Low | 141 Ų | 141 | 124.3 Ų | 124.3 | 66% | 0.659 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -76.5 | -24.6 | 178.3 | -87.8 | -172.8 | 86.5 | 0 | 0 | 113.9 | A24 E25 T30 T32 | A24-Q28 PolarHBondContact O-N 3.49Å; A24-Q28 WeakPolarHBondContact O-CB 3.15Å; E25-Q28 PolarHBondContact O-N 3.02Å; Q28-T30 PolarHBondContact O-N 3.09Å; Q28-T32 PolarHBondContact O-OG1 3.29Å |
| 29 | E | 53.7 | Low | 56.4 | Low | 145 Ų | 145 | 123.2 Ų | 123.2 | 68% | 0.678 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -73.4 | -14.5 | 174.1 | -67.4 | -165.4 | 126.1 | 0 | 0 | 113 | E25 | E25-E29 WeakPolarHBondContact O-CG 3.39Å; E25-E29 PolarHBondContact O-N 3.27Å |
| 30 | T | 52.8 | Low | 55.7 | Low | 107 Ų | 107 | 125 Ų | 125 | 66% | 0.656 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -98.8 | -16.2 | 178.4 | -45.9 | 0 | 0 | 0 | 0 | 113.6 | D26 V27 Q28 | D26-T30 PolarHBondContact O-OG1 3.3Å; V27-T30 PolarHBondContact O-N 3.32Å; Q28-T30 PolarHBondContact O-N 3.09Å |
| 31 | D | 52.7 | Low | 55.2 | Low | 136 Ų | 136 | 128.8 Ų | 128.8 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -93 | -17.1 | -179 | -150.9 | -105.8 | 0 | 0 | 0 | 113.4 | | |
| 32 | T | 52.5 | Low | 54.8 | Low | 119 Ų | 119 | 132.5 Ų | 132.5 | 73% | 0.73 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -1.5 | 179 | 55.7 | 0 | 0 | 0 | 0 | 114.4 | Q28 | Q28-T32 PolarHBondContact O-OG1 3.29Š|
| 33 | S | 56.5 | Low | 54.4 | Low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 25.7 | 173.9 | -156.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 34 | Q | 53.7 | Low | 54.1 | Low | 180 Ų | 180 | 132.9 Ų | 132.9 | 84% | 0.841 | 71% | 0.708 | S | S | * | * | | | trans | -133.3 | 63.6 | 167.6 | -162.7 | -177.9 | 77.5 | 0 | 0 | 110.8 | | |
| 35 | K | 46.4 | Very low | 53.6 | Low | 197 Ų | 197 | 140.1 Ų | 140.1 | 86% | 0.857 | 74% | 0.735 | S | S | * | * | | | trans | -146.6 | 94.4 | 154 | -159.9 | 158.8 | -175.7 | 154.4 | 0 | 110 | | |
| 36 | D | 48.3 | Very low | 53.3 | Low | 228 Ų | 228 | 141.4 Ų | 141.4 | 100% | 1.219 | 75% | 0.748 | S | S | * | * | | | trans | -42.1 | 0 | 151.8 | -172.4 | -104.2 | 0 | 0 | 0 | 111.2 | | |