| 1 | M | 44.5 | Very low | 66.2 | Low | 251 Ų | 251 | 135.1 Ų | 135.1 | 100% | 1.236 | 72% | 0.719 | S | S | * | * | | | | 0 | 107.9 | 0 | -77.3 | 175.5 | -175.5 | 0 | 0 | 108.2 | | |
| 2 | A | 59.4 | Low | 67.6 | Low | 95 Ų | 95 | 134.3 Ų | 134.3 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | | | trans | -132 | 81.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 3 | K | 59.9 | Low | 68.8 | Low | 215 Ų | 215 | 130.7 Ų | 130.7 | 94% | 0.935 | 69% | 0.691 | S | S | * | * | | | trans | -102.4 | 57.4 | 173.9 | -92.7 | 177.1 | 147.6 | 139.2 | 0 | 108.9 | | |
| 4 | M | 60.5 | Low | 69.9 | Low | 183 Ų | 183 | 126.5 Ų | 126.5 | 90% | 0.901 | 67% | 0.673 | S | S | * | * | | | trans | -152.9 | 55.7 | 175.5 | -84.6 | -174.4 | 161.8 | 0 | 0 | 110 | | |
| 5 | S | 59.4 | Low | 70.5 | Confident | 76 Ų | 76 | 127.1 Ų | 127.1 | 53% | 0.531 | 67% | 0.668 | S | S | . | * | S | Bend | trans | -136.7 | -19.9 | 174.4 | 67.8 | 0 | 0 | 0 | 0 | 114.8 | S8 Y9 | S5-S8 WeakPolarHBondContact CA-OG 3.42Å; S5-S8 PolarHBondContact O-OG 2.85Å; S5-S8 VanDerWaalsContact O-OG 3.06Å; S5-Y9 WeakPolarHBondContact O-CB 3.44Å; S5-Y9 PolarHBondContact O-N 3.47Å |
| 6 | L | 60.5 | Low | 71.1 | Confident | 145 Ų | 145 | 122.8 Ų | 122.8 | 76% | 0.759 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -74.4 | -40.5 | 179.9 | -76.6 | 154.4 | 0 | 0 | 0 | 112 | I10 | L6-I10 WeakPolarHBondContact O-CG1 3.31Å; L6-I10 PolarHBondContact O-N 2.69Å |
| 7 | S | 66.8 | Low | 71.5 | Confident | 85 Ų | 85 | 121.8 Ų | 121.8 | 59% | 0.594 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -69.9 | -40.7 | 179.3 | 175.3 | 0 | 0 | 0 | 0 | 112.3 | Y9 I10 L11 | S7-Y9 VanDerWaalsContact C-N 3.33Å; S7-Y9 PolarHBondContact O-N 3.27Å; S7-I10 PolarHBondContact O-N 3.5Å; S7-L11 WeakPolarHBondContact O-CG 3.08Å; S7-L11 PolarHBondContact O-N 3.41Å; S7-L11 VanDerWaalsContact O-N 3.12Å |
| 8 | S | 71.1 | Confident | 71.6 | Confident | 60 Ų | 60 | 122.6 Ų | 122.6 | 42% | 0.42 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -65.8 | -35.4 | 177.8 | 54.6 | 0 | 0 | 0 | 0 | 112.4 | S5 L11 M12 | S5-S8 WeakPolarHBondContact CA-OG 3.42Å; S5-S8 PolarHBondContact O-OG 2.85Å; S5-S8 VanDerWaalsContact O-OG 3.06Å; S8-L11 PolarHBondContact O-N 3.32Å; S8-M12 VanDerWaalsContact O-CG 3.26Å; S8-M12 WeakPolarHBondContact O-CG 3.39Å; S8-M12 PolarHBondContact O-N 3.5Å |
| 9 | Y | 81.3 | Confident | 71.4 | Confident | 164 Ų | 164 | 118.8 Ų | 118.8 | 64% | 0.643 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.8 | -41.4 | 177.3 | -174.6 | -103.3 | 0 | 0 | 0 | 112 | S5 S7 M12 L13 | S5-Y9 WeakPolarHBondContact O-CB 3.44Å; S5-Y9 PolarHBondContact O-N 3.47Å; S7-Y9 VanDerWaalsContact C-N 3.33Å; S7-Y9 PolarHBondContact O-N 3.27Å; Y9-M12 PolarHBondContact O-N 2.72Å; Y9-L13 WeakPolarHBondContact O-CB 3.05Å; Y9-L13 PolarHBondContact O-N 2.92Å |
| 10 | I | 83.3 | Confident | 71.1 | Confident | 103 Ų | 103 | 119.5 Ų | 119.5 | 53% | 0.528 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.2 | -42 | 175.7 | -63.9 | 169.9 | 0 | 0 | 0 | 110.6 | L6 S7 L13 T14 | L6-I10 WeakPolarHBondContact O-CG1 3.31Å; L6-I10 PolarHBondContact O-N 2.69Å; S7-I10 PolarHBondContact O-N 3.5Å; I10-L13 PolarHBondContact O-N 3.41Å; I10-T14 HydrophobicContact CG2-CG2 4.42Å; I10-T14 WeakPolarHBondContact O-CG2 3.17Å; I10-T14 PolarHBondContact O-N 3.11Å; I10-T14 PolarHBondContact O-OG1 3.31Å |
| 11 | L | 81.6 | Confident | 70.7 | Confident | 109 Ų | 109 | 115.5 Ų | 115.5 | 57% | 0.571 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.5 | -40.1 | 177.6 | -68.3 | 172.6 | 0 | 0 | 0 | 112.8 | S7 S8 L13 T14 F15 | S7-L11 WeakPolarHBondContact O-CG 3.08Å; S7-L11 PolarHBondContact O-N 3.41Å; S7-L11 VanDerWaalsContact O-N 3.12Å; S8-L11 PolarHBondContact O-N 3.32Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L11-T14 PolarHBondContact O-OG1 3.41Å; L11-F15 VanDerWaalsContact O-CB 3.31Å; L11-F15 WeakPolarHBondContact O-CB 3.38Å; L11-F15 PolarHBondContact O-N 3.09Å |
| 12 | M | 82.7 | Confident | 71.4 | Confident | 126 Ų | 126 | 107.7 Ų | 107.7 | 62% | 0.621 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.2 | -36.6 | 175.6 | -68 | -63.4 | -74 | 0 | 0 | 111.9 | S8 Y9 S16 | S8-M12 VanDerWaalsContact O-CG 3.26Å; S8-M12 WeakPolarHBondContact O-CG 3.39Å; S8-M12 PolarHBondContact O-N 3.5Å; Y9-M12 PolarHBondContact O-N 2.72Å; M12-S16 WeakPolarHBondContact O-CB 3.49Å; M12-S16 PolarHBondContact O-N 3.44Å; M12-S16 PolarHBondContact O-OG 3.5Å |
| 13 | L | 82.9 | Confident | 71.1 | Confident | 87 Ų | 87 | 108.7 Ų | 108.7 | 46% | 0.455 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.7 | -45.6 | 176.5 | -173.5 | 66.2 | 0 | 0 | 0 | 111.6 | Y9 I10 L11 S16 L17 | Y9-L13 WeakPolarHBondContact O-CB 3.05Å; Y9-L13 PolarHBondContact O-N 2.92Å; I10-L13 PolarHBondContact O-N 3.41Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L13-S16 PolarHBondContact O-N 3.37Å; L13-L17 HydrophobicContact CG-CD1 4.47Å; L13-L17 WeakPolarHBondContact O-CG 3.47Å; L13-L17 PolarHBondContact O-N 3.49Å |
| 14 | T | 84.1 | Confident | 70.6 | Confident | 72 Ų | 72 | 105 Ų | 105 | 44% | 0.442 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.3 | -39.4 | 177.9 | 55.8 | 0 | 0 | 0 | 0 | 112.1 | I10 L11 S16 L17 F18 | I10-T14 HydrophobicContact CG2-CG2 4.42Å; I10-T14 WeakPolarHBondContact O-CG2 3.17Å; I10-T14 PolarHBondContact O-N 3.11Å; I10-T14 PolarHBondContact O-OG1 3.31Å; L11-T14 PolarHBondContact O-OG1 3.41Å; T14-S16 VanDerWaalsContact C-N 3.3Å; T14-S16 PolarHBondContact O-N 3.25Å; T14-L17 PolarHBondContact O-N 3.24Å; T14-F18 VanDerWaalsContact O-CB 3.26Å; T14-F18 WeakPolarHBondContact O-CB 3.05Å; T14-F18 PolarHBondContact O-N 3.01Å |
| 15 | F | 80 | Confident | 69.9 | Low | 136 Ų | 136 | 101.5 Ų | 101.5 | 60% | 0.596 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.1 | -37.4 | 174.6 | -173.4 | -100.1 | 0 | 0 | 0 | 112.2 | L11 F18 S19 | L11-F15 VanDerWaalsContact O-CB 3.31Å; L11-F15 WeakPolarHBondContact O-CB 3.38Å; L11-F15 PolarHBondContact O-N 3.09Å; F15-F18 PolarHBondContact O-N 3.48Å; F15-S19 WeakPolarHBondContact O-CB 3.42Å; F15-S19 PolarHBondContact O-N 2.95Å; F15-S19 PolarHBondContact O-OG 2.84Å |
| 16 | S | 79 | Confident | 69.1 | Low | 57 Ų | 57 | 102.4 Ų | 102.4 | 40% | 0.399 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.9 | -43.2 | 176.4 | -60.8 | 0 | 0 | 0 | 0 | 111.8 | M12 L13 T14 S19 Q20 | M12-S16 WeakPolarHBondContact O-CB 3.49Å; M12-S16 PolarHBondContact O-N 3.44Å; M12-S16 PolarHBondContact O-OG 3.5Å; L13-S16 PolarHBondContact O-N 3.37Å; T14-S16 VanDerWaalsContact C-N 3.3Å; T14-S16 PolarHBondContact O-N 3.25Å; S16-S19 PolarHBondContact O-N 3.06Å; S16-Q20 WeakPolarHBondContact O-CG 3.42Å; S16-Q20 PolarHBondContact O-N 2.73Å; S16-Q20 VanDerWaalsContact O-N 3.17Å |
| 17 | L | 78.3 | Confident | 68.4 | Low | 107 Ų | 107 | 98.2 Ų | 98.2 | 56% | 0.56 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.1 | -38 | 176.4 | -68.5 | 171.9 | 0 | 0 | 0 | 112.1 | L13 T14 Q20 G21 | L13-L17 HydrophobicContact CG-CD1 4.47Å; L13-L17 WeakPolarHBondContact O-CG 3.47Å; L13-L17 PolarHBondContact O-N 3.49Å; T14-L17 PolarHBondContact O-N 3.24Å; L17-Q20 PolarHBondContact O-N 3.3Å; L17-G21 PolarHBondContact O-N 3.41Å |
| 18 | F | 73.9 | Confident | 67.4 | Low | 135 Ų | 135 | 104.3 Ų | 104.3 | 59% | 0.592 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.8 | -41.2 | 176.8 | -171.8 | -116.5 | 0 | 0 | 0 | 111.5 | T14 F15 Q20 G21 I22 | T14-F18 VanDerWaalsContact O-CB 3.26Å; T14-F18 WeakPolarHBondContact O-CB 3.05Å; T14-F18 PolarHBondContact O-N 3.01Å; F15-F18 PolarHBondContact O-N 3.48Å; F18-Q20 VanDerWaalsContact C-N 3.29Å; F18-Q20 PolarHBondContact O-N 3.04Å; F18-G21 PolarHBondContact O-N 3.38Å; F18-G21 VanDerWaalsContact O-N 3.17Å; F18-I22 HydrophobicContact CD1-CD1 3.43Å; F18-I22 VanDerWaalsContact CD1-CD1 3.43Å; F18-I22 HydrophobicContact CD1-CG1 4.26Å; F18-I22 HydrophobicContact CD2-CD1 4.26Å; F18-I22 HydrophobicContact CD2-CG1 4.22Å; F18-I22 HydrophobicContact CE1-CD1 3.18Å; F18-I22 HydrophobicContact CE1-CG1 4.04Å; F18-I22 HydrophobicContact CE2-CD1 4.05Å; F18-I22 HydrophobicContact CE2-CG1 3.98Å; F18-I22 HydrophobicContact CG-CD1 3.98Å; F18-I22 HydrophobicContact CG-CG1 4.34Å; F18-I22 HydrophobicContact CZ-CD1 3.52Å; F18-I22 HydrophobicContact CZ-CG1 3.89Å; F18-I22 WeakPolarHBondContact O-CD1 3.5Å; F18-I22 WeakPolarHBondContact O-CG1 3.4Å; F18-I22 PolarHBondContact O-N 2.97Å |
| 19 | S | 67.5 | Low | 66.4 | Low | 52 Ų | 52 | 105.9 Ų | 105.9 | 36% | 0.364 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.6 | -35.4 | 176 | -59.8 | 0 | 0 | 0 | 0 | 112.5 | F15 S16 | F15-S19 WeakPolarHBondContact O-CB 3.42Å; F15-S19 PolarHBondContact O-N 2.95Å; F15-S19 PolarHBondContact O-OG 2.84Å; S16-S19 PolarHBondContact O-N 3.06Å |
| 20 | Q | 66.2 | Low | 65 | Low | 132 Ų | 132 | 105.1 Ų | 105.1 | 62% | 0.617 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -76.6 | -36.3 | 172.8 | -68.4 | 176.3 | 8.1 | 0 | 0 | 112.3 | S16 L17 F18 L23 | S16-Q20 WeakPolarHBondContact O-CG 3.42Å; S16-Q20 PolarHBondContact O-N 2.73Å; S16-Q20 VanDerWaalsContact O-N 3.17Å; L17-Q20 PolarHBondContact O-N 3.3Å; F18-Q20 VanDerWaalsContact C-N 3.29Å; F18-Q20 PolarHBondContact O-N 3.04Å; Q20-L23 PolarHBondContact O-N 3.34Å |
| 21 | G | 62.8 | Low | 63.4 | Low | 35 Ų | 35 | 105.4 Ų | 105.4 | 36% | 0.361 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -72.9 | -28.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L17 F18 L23 L24 | L17-G21 PolarHBondContact O-N 3.41Å; F18-G21 PolarHBondContact O-N 3.38Å; F18-G21 VanDerWaalsContact O-N 3.17Å; G21-L23 VanDerWaalsContact C-N 3.27Å; G21-L23 PolarHBondContact O-N 2.71Å; G21-L24 PolarHBondContact O-N 3.4Å; G21-L24 VanDerWaalsContact O-N 3.16Å |
| 22 | I | 58.6 | Low | 62.1 | Low | 88 Ų | 88 | 107.6 Ų | 107.6 | 45% | 0.451 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69.7 | -25.8 | 177.1 | -64.2 | 160.7 | 0 | 0 | 0 | 111.8 | F18 L24 S25 | F18-I22 HydrophobicContact CD1-CD1 3.43Å; F18-I22 VanDerWaalsContact CD1-CD1 3.43Å; F18-I22 HydrophobicContact CD1-CG1 4.26Å; F18-I22 HydrophobicContact CD2-CD1 4.26Å; F18-I22 HydrophobicContact CD2-CG1 4.22Å; F18-I22 HydrophobicContact CE1-CD1 3.18Å; F18-I22 HydrophobicContact CE1-CG1 4.04Å; F18-I22 HydrophobicContact CE2-CD1 4.05Å; F18-I22 HydrophobicContact CE2-CG1 3.98Å; F18-I22 HydrophobicContact CG-CD1 3.98Å; F18-I22 HydrophobicContact CG-CG1 4.34Å; F18-I22 HydrophobicContact CZ-CD1 3.52Å; F18-I22 HydrophobicContact CZ-CG1 3.89Å; F18-I22 WeakPolarHBondContact O-CD1 3.5Å; F18-I22 WeakPolarHBondContact O-CG1 3.4Å; F18-I22 PolarHBondContact O-N 2.97Å; I22-L24 PolarHBondContact O-N 2.97Å; I22-S25 PolarHBondContact O-N 3.26Å |
| 23 | L | 51.9 | Low | 60.4 | Low | 116 Ų | 116 | 109.1 Ų | 109.1 | 61% | 0.607 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.5 | -22 | 172.5 | -81.4 | 146.1 | 0 | 0 | 0 | 113 | Q20 G21 | Q20-L23 PolarHBondContact O-N 3.34Å; G21-L23 VanDerWaalsContact C-N 3.27Å; G21-L23 PolarHBondContact O-N 2.71Å |
| 24 | L | 51.2 | Low | 58.9 | Low | 137 Ų | 137 | 109.1 Ų | 109.1 | 72% | 0.717 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -91.9 | -14.6 | -179.3 | -76.1 | 154.6 | 0 | 0 | 0 | 113.6 | G21 I22 | G21-L24 PolarHBondContact O-N 3.4Å; G21-L24 VanDerWaalsContact O-N 3.16Å; I22-L24 PolarHBondContact O-N 2.97Å |
| 25 | S | 45.7 | Very low | 57.4 | Low | 110 Ų | 110 | 109.8 Ų | 109.8 | 77% | 0.769 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -95.8 | -15.7 | -173.3 | -149 | 0 | 0 | 0 | 0 | 114.4 | I22 | I22-S25 PolarHBondContact O-N 3.26Å |
| 26 | A | 41.4 | Very low | 55.9 | Low | 94 Ų | 94 | 108.4 Ų | 108.4 | 78% | 0.777 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -97.2 | -13.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | K28 | A26-K28 PolarHBondContact O-N 3.22Š|
| 27 | S | 45.3 | Very low | 54.8 | Low | 58 Ų | 58 | 112.3 Ų | 112.3 | 41% | 0.406 | 61% | 0.607 | S | S | . | * | | | trans | -95.7 | 68.8 | 177.5 | -88 | 0 | 0 | 0 | 0 | 111.4 | S29 | S27-S29 PolarHBondContact O-N 3.49Š|
| 28 | K | 47.4 | Very low | 53.7 | Low | 212 Ų | 212 | 111.5 Ų | 111.5 | 92% | 0.922 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -83 | 11.2 | 166.7 | -143.8 | 169.7 | -178.2 | 163.5 | 0 | 113.1 | A26 | A26-K28 PolarHBondContact O-N 3.22Š|
| 29 | S | 48.9 | Very low | 52.9 | Low | 94 Ų | 94 | 112.7 Ų | 112.7 | 66% | 0.657 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -161 | 133.4 | 176.5 | -171.6 | 0 | 0 | 0 | 0 | 108.5 | S27 | S27-S29 PolarHBondContact O-N 3.49Š|
| 30 | I | 52.2 | Low | 52.2 | Low | 147 Ų | 147 | 113.9 Ų | 113.9 | 75% | 0.754 | 61% | 0.614 | S | S | * | * | S | Bend | trans | 70.8 | 71.9 | 175.7 | -53 | 167.5 | 0 | 0 | 0 | 114.7 | | |
| 31 | R | 50.7 | Low | 51.6 | Low | 109 Ų | 109 | 112.1 Ų | 112.1 | 41% | 0.411 | 61% | 0.612 | S | S | . | * | | | trans | -149.5 | 12.3 | 144.9 | -64.9 | -167.2 | 84.1 | 151 | -1.9 | 113.8 | L33 E34 | R31-L33 PolarHBondContact O-N 2.66Å; R31-E34 HydrophobicContact CB-CG 4.29Å; R31-E34 WeakPolarHBondContact CG-OE1 3.26Å; R31-E34 IonicContact CZ-OE1 3.29Å; R31-E34 VanDerWaalsContact CZ-OE1 3.29Å; R31-E34 IonicContact CZ-OE2 3.51Å; R31-E34 IonicContact NE-OE1 2.66Å; R31-E34 PolarHBondContact NE-OE1 3.03Å; R31-E34 IonicContact NE-OE2 3.49Å; R31-E34 PolarHBondContact NE-OE2 3.5Å; R31-E34 VanDerWaalsContact NH2-CD 3.3Å; R31-E34 IonicContact NH2-OE1 3.22Å; R31-E34 PolarHBondContact NH2-OE1 3.17Å; R31-E34 IonicContact NH2-OE2 2.71Å; R31-E34 PolarHBondContact NH2-OE2 3.28Å; R31-E34 WeakPolarHBondContact O-CG 3.48Å |
| 32 | N | 52.7 | Low | 51.2 | Low | 155 Ų | 155 | 119 Ų | 119 | 83% | 0.829 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 2 | -177.8 | -69.8 | -46.4 | 0 | 0 | 0 | 115.1 | | |
| 33 | L | 47.7 | Very low | 50.7 | Low | 159 Ų | 159 | 124.2 Ų | 124.2 | 83% | 0.832 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | -30.4 | -179.4 | -160.2 | 94.7 | 0 | 0 | 0 | 113.1 | R31 | R31-L33 PolarHBondContact O-N 2.66Š|
| 34 | E | 52.1 | Low | 50.7 | Low | 86 Ų | 86 | 124.9 Ų | 124.9 | 40% | 0.402 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -89.1 | -36.7 | -176.4 | 48.7 | 173.5 | 134.5 | 0 | 0 | 112.1 | R31 D36 M37 V38 | R31-E34 HydrophobicContact CB-CG 4.29Å; R31-E34 WeakPolarHBondContact CG-OE1 3.26Å; R31-E34 IonicContact CZ-OE1 3.29Å; R31-E34 VanDerWaalsContact CZ-OE1 3.29Å; R31-E34 IonicContact CZ-OE2 3.51Å; R31-E34 IonicContact NE-OE1 2.66Å; R31-E34 PolarHBondContact NE-OE1 3.03Å; R31-E34 IonicContact NE-OE2 3.49Å; R31-E34 PolarHBondContact NE-OE2 3.5Å; R31-E34 VanDerWaalsContact NH2-CD 3.3Å; R31-E34 IonicContact NH2-OE1 3.22Å; R31-E34 PolarHBondContact NH2-OE1 3.17Å; R31-E34 IonicContact NH2-OE2 2.71Å; R31-E34 PolarHBondContact NH2-OE2 3.28Å; R31-E34 WeakPolarHBondContact O-CG 3.48Å; E34-D36 VanDerWaalsContact C-N 3.28Å; E34-D36 PolarHBondContact O-N 2.84Å; E34-M37 PolarHBondContact O-N 3.03Å; E34-V38 VanDerWaalsContact O-CG2 3.31Å; E34-V38 WeakPolarHBondContact O-CG2 3.46Å; E34-V38 PolarHBondContact O-N 3.09Å |
| 35 | D | 51.1 | Low | 50.6 | Low | 86 Ų | 86 | 121.6 Ų | 121.6 | 46% | 0.46 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -67 | -30.7 | 177 | -77.7 | -30.4 | 0 | 0 | 0 | 111.7 | M37 V38 F39 | D35-M37 VanDerWaalsContact C-N 3.31Å; D35-M37 PolarHBondContact O-N 2.79Å; D35-V38 PolarHBondContact O-N 2.92Å; D35-F39 WeakPolarHBondContact O-CA 3.31Å; D35-F39 WeakPolarHBondContact O-CB 3.33Å; D35-F39 PolarHBondContact O-N 3.17Å |
| 36 | D | 50.4 | Low | 50.9 | Low | 108 Ų | 108 | 126 Ų | 126 | 58% | 0.578 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -68.2 | -33.2 | 177.8 | -153.2 | 29.9 | 0 | 0 | 0 | 111.2 | E34 N40 | E34-D36 VanDerWaalsContact C-N 3.28Å; E34-D36 PolarHBondContact O-N 2.84Å; D36-N40 WeakPolarHBondContact O-CB 3.44Å; D36-N40 VanDerWaalsContact O-CG 3.23Å; D36-N40 PolarHBondContact O-N 3.49Å; D36-N40 PolarHBondContact O-ND2 3.49Å; D36-N40 PolarHBondContact OD1-ND2 3.06Å |
| 37 | M | 54.2 | Low | 51.2 | Low | 138 Ų | 138 | 124.6 Ų | 124.6 | 68% | 0.68 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -78.1 | -40.7 | 176.4 | -169 | -179.1 | -65.4 | 0 | 0 | 112.6 | E34 D35 T41 | E34-M37 PolarHBondContact O-N 3.03Å; D35-M37 VanDerWaalsContact C-N 3.31Å; D35-M37 PolarHBondContact O-N 2.79Å; M37-T41 WeakPolarHBondContact O-CB 3.41Å; M37-T41 PolarHBondContact O-N 3.31Å; M37-T41 PolarHBondContact O-OG1 3.35Å |
| 38 | V | 56.7 | Low | 51 | Low | 91 Ų | 91 | 131.3 Ų | 131.3 | 55% | 0.552 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -74.5 | -39.5 | -178.3 | -176.6 | 0 | 0 | 0 | 0 | 111 | E34 D35 T41 F42 | E34-V38 VanDerWaalsContact O-CG2 3.31Å; E34-V38 WeakPolarHBondContact O-CG2 3.46Å; E34-V38 PolarHBondContact O-N 3.09Å; D35-V38 PolarHBondContact O-N 2.92Å; V38-T41 PolarHBondContact O-N 3.06Å; V38-F42 PolarHBondContact O-N 3.44Å |
| 39 | F | 55.7 | Low | 50.6 | Low | 160 Ų | 160 | 129.9 Ų | 129.9 | 70% | 0.702 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -74.6 | -35.6 | 175.6 | -139.6 | -86.9 | 0 | 0 | 0 | 111.7 | D35 T41 F42 R43 | D35-F39 WeakPolarHBondContact O-CA 3.31Å; D35-F39 WeakPolarHBondContact O-CB 3.33Å; D35-F39 PolarHBondContact O-N 3.17Å; F39-T41 VanDerWaalsContact C-N 3.32Å; F39-T41 PolarHBondContact O-N 3.37Å; F39-F42 PolarHBondContact O-N 3.4Å; F39-R43 WeakPolarHBondContact O-CB 3.38Å; F39-R43 PolarHBondContact O-N 3.42Å |
| 40 | N | 54.3 | Low | 50 | Low | 77 Ų | 77 | 134.7 Ų | 134.7 | 41% | 0.412 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -61.7 | -40.4 | 168.4 | -86.8 | -58.6 | 0 | 0 | 0 | 111.1 | D36 R43 M44 | D36-N40 WeakPolarHBondContact O-CB 3.44Å; D36-N40 VanDerWaalsContact O-CG 3.23Å; D36-N40 PolarHBondContact O-N 3.49Å; D36-N40 PolarHBondContact O-ND2 3.49Å; D36-N40 PolarHBondContact OD1-ND2 3.06Å; N40-R43 CarbonylContact O-C 3.54Å; N40-R43 PolarHBondContact O-N 3.03Å; N40-M44 WeakPolarHBondContact O-CB 3.32Å; N40-M44 PolarHBondContact O-N 3.01Å |
| 41 | T | 52.1 | Low | 49.9 | Very low | 94 Ų | 94 | 136.5 Ų | 136.5 | 58% | 0.577 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -67.4 | -38 | 178.5 | -53.1 | 0 | 0 | 0 | 0 | 112.4 | M37 V38 F39 R43 M44 G45 | M37-T41 WeakPolarHBondContact O-CB 3.41Å; M37-T41 PolarHBondContact O-N 3.31Å; M37-T41 PolarHBondContact O-OG1 3.35Å; V38-T41 PolarHBondContact O-N 3.06Å; F39-T41 VanDerWaalsContact C-N 3.32Å; F39-T41 PolarHBondContact O-N 3.37Å; T41-R43 VanDerWaalsContact C-N 3.33Å; T41-R43 PolarHBondContact O-N 2.96Å; T41-M44 PolarHBondContact O-N 3.34Å; T41-G45 PolarHBondContact O-N 3.38Å; T41-G45 VanDerWaalsContact O-N 3.11Å |
| 42 | F | 54.5 | Low | 49 | Very low | 181 Ų | 181 | 137.7 Ų | 137.7 | 79% | 0.794 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -69.4 | -29.7 | 174.6 | -131.4 | -87.9 | 0 | 0 | 0 | 112.6 | V38 F39 | V38-F42 PolarHBondContact O-N 3.44Å; F39-F42 PolarHBondContact O-N 3.4Å |
| 43 | R | 49.5 | Very low | 48.1 | Very low | 197 Ų | 197 | 135.7 Ų | 135.7 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -79.3 | -30.6 | 171.4 | -156.8 | 179.1 | -156.8 | -136.7 | 3.4 | 112.6 | F39 N40 T41 G45 K46 | F39-R43 WeakPolarHBondContact O-CB 3.38Å; F39-R43 PolarHBondContact O-N 3.42Å; N40-R43 CarbonylContact O-C 3.54Å; N40-R43 PolarHBondContact O-N 3.03Å; T41-R43 VanDerWaalsContact C-N 3.33Å; T41-R43 PolarHBondContact O-N 2.96Å; R43-G45 VanDerWaalsContact C-N 3.34Å; R43-K46 PolarHBondContact O-N 2.92Å |
| 44 | M | 51 | Low | 47.3 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 64% | 0.635 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -73.4 | -25.5 | 179.7 | -153.3 | 86.8 | 104.4 | 0 | 0 | 112 | N40 T41 K46 A47 | N40-M44 WeakPolarHBondContact O-CB 3.32Å; N40-M44 PolarHBondContact O-N 3.01Å; T41-M44 PolarHBondContact O-N 3.34Å; M44-K46 PolarHBondContact O-N 3.3Å; M44-K46 VanDerWaalsContact O-N 3.09Å; M44-A47 PolarHBondContact O-N 2.96Å |
| 45 | G | 49.3 | Very low | 46.3 | Very low | 69 Ų | 69 | 135.9 Ų | 135.9 | 71% | 0.711 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -1.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | T41 R43 | T41-G45 PolarHBondContact O-N 3.38Å; T41-G45 VanDerWaalsContact O-N 3.11Å; R43-G45 VanDerWaalsContact C-N 3.34Å |
| 46 | K | 51.5 | Low | 45.5 | Very low | 202 Ų | 202 | 143.6 Ų | 143.6 | 88% | 0.878 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.7 | 22.8 | 176.3 | -100 | -166.3 | 177.6 | -174.1 | 0 | 114.5 | R43 M44 | R43-K46 PolarHBondContact O-N 2.92Å; M44-K46 PolarHBondContact O-N 3.3Å; M44-K46 VanDerWaalsContact O-N 3.09Å |
| 47 | A | 47.5 | Very low | 44.7 | Very low | 65 Ų | 65 | 143.4 Ų | 143.4 | 54% | 0.537 | 72% | 0.723 | S | S | . | * | | | trans | -136.7 | 61.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | M44 | M44-A47 PolarHBondContact O-N 2.96Š|
| 48 | F | 42.2 | Very low | 43.7 | Very low | 199 Ų | 199 | 143.5 Ų | 143.5 | 87% | 0.873 | 73% | 0.73 | S | S | * | * | | | trans | -144.2 | 74.4 | 155 | -114 | -82.9 | 0 | 0 | 0 | 108.9 | | |
| 49 | Q | 38.7 | Very low | 42.5 | Very low | 181 Ų | 181 | 143.4 Ų | 143.4 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | S | Bend | | -175.4 | 127.8 | 119.5 | -101.8 | -165.6 | 48.3 | 0 | 0 | 111.1 | | |
| 50 | K | 37 | Very low | 41.4 | Very low | 195 Ų | 195 | 140.4 Ų | 140.4 | 85% | 0.848 | 74% | 0.744 | S | S | * | * | | | trans | 81.4 | 90.4 | 154.7 | -134.6 | 171 | -178.5 | 179 | 0 | 117.1 | D52 | K50-D52 PolarHBondContact O-N 3.2Š|
| 51 | E | 49.5 | Very low | 40.8 | Very low | 186 Ų | 186 | 142.2 Ų | 142.2 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | | | trans | -52.7 | 121.9 | 145.3 | -175.1 | 155.5 | -177.8 | 0 | 0 | 109.2 | | |
| 52 | D | 31.1 | Very low | 40 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | | -176.9 | 144.4 | 117.7 | -140.7 | -50.5 | 0 | 0 | 0 | 112.1 | K50 | K50-D52 PolarHBondContact O-N 3.2Š|
| 53 | T | 34.4 | Very low | 39.1 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 69% | 0.693 | 76% | 0.762 | S | S | * | * | | | trans | 75.7 | 129.1 | 147.3 | 1.2 | 0 | 0 | 0 | 0 | 123.9 | | |
| 54 | A | 31.3 | Very low | 38.5 | Very low | 78 Ų | 78 | 138.1 Ų | 138.1 | 65% | 0.645 | 76% | 0.76 | S | S | * | * | | | trans | 97.5 | 66.7 | 140.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 55 | E | 31.5 | Very low | 37.6 | Very low | 172 Ų | 172 | 141 Ų | 141 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | | 16.3 | 116.9 | 120.3 | 70.1 | -144.4 | 112.7 | 0 | 0 | 120.8 | | |
| 56 | R | 33.8 | Very low | 36.6 | Very low | 248 Ų | 248 | 147.6 Ų | 147.6 | 94% | 0.936 | 78% | 0.777 | S | S | * | * | | | | -147.8 | 123.7 | 122.6 | -93.4 | -172.5 | 172.1 | 169.1 | -1.4 | 104.2 | | |
| 57 | S | 34.1 | Very low | 36.1 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | S | Bend | cis | -161 | 129.1 | 37.8 | 52.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 58 | V | 31.3 | Very low | 35.5 | Very low | 139 Ų | 139 | 150.1 Ų | 150.1 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | | | trans | 73 | 94 | 134.2 | -176.5 | 0 | 0 | 0 | 0 | 117 | | |
| 59 | A | 32.6 | Very low | 35.4 | Very low | 89 Ų | 89 | 146.5 Ų | 146.5 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | | 161.1 | 111 | 94.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 60 | A | 32.8 | Very low | 35.6 | Very low | 98 Ų | 98 | 144.8 Ų | 144.8 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | 73.6 | 161.4 | 144.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 61 | P | 41.2 | Very low | 35.9 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | | | | -132.1 | 170.9 | -80.6 | 36 | -18.1 | 0 | 0 | 0 | 115.7 | | |
| 62 | S | 36.1 | Very low | 35.5 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | trans | 61.5 | 126.5 | 153.1 | 73.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 63 | L | 35 | Very low | 35.7 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 71% | 0.707 | 77% | 0.773 | S | S | * | * | | | | 162.9 | 109 | 84.3 | -170.4 | 109.7 | 0 | 0 | 0 | 109.5 | | |
| 64 | E | 36.6 | Very low | 36.4 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | trans | 61.5 | 125 | 146.5 | -76.7 | 66.3 | 130.6 | 0 | 0 | 118.8 | | |
| 65 | Q | 32.8 | Very low | 37 | Very low | 189 Ų | 189 | 146 Ų | 146 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | | 166.4 | 113.1 | 115.7 | -170.8 | 161.2 | -18.2 | 0 | 0 | 114.1 | | |
| 66 | Y | 27.7 | Very low | 37.7 | Very low | 208 Ų | 208 | 144.3 Ų | 144.3 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | | | trans | 74.4 | 100.7 | 142.1 | -150.7 | -99.1 | 0 | 0 | 0 | 122.2 | | |
| 67 | K | 40.7 | Very low | 38.3 | Very low | 171 Ų | 171 | 138.3 Ų | 138.3 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | trans | 1.1 | 138.8 | 144.2 | -64.4 | -163.5 | 170.6 | -159.4 | 0 | 119 | | |
| 68 | N | 34.7 | Very low | 38.7 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | | | | -171.7 | 147.5 | 100.4 | -151.8 | -2.2 | 0 | 0 | 0 | 112.3 | | |
| 69 | D | 40.6 | Very low | 39.2 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 65% | 0.652 | 77% | 0.765 | S | S | * | * | | | trans | -80.3 | 169 | -171.3 | -70 | -63.9 | 0 | 0 | 0 | 115 | | |
| 70 | D | 42.5 | Very low | 40 | Very low | 146 Ų | 146 | 144.3 Ų | 144.3 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | | | trans | 104.4 | 114 | 140.3 | -73.1 | -39.7 | 0 | 0 | 0 | 121.7 | | |
| 71 | S | 43.6 | Very low | 40.7 | Very low | 122 Ų | 122 | 145 Ų | 145 | 85% | 0.853 | 76% | 0.756 | S | S | * | * | | | trans | 74.2 | 142.8 | 134.4 | 76.3 | 0 | 0 | 0 | 0 | 118.2 | | |
| 72 | G | 41.7 | Very low | 41.2 | Very low | 70 Ų | 70 | 145.4 Ų | 145.4 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | | | cis | 164.2 | 162.9 | 4 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 73 | F | 35.1 | Very low | 41.4 | Very low | 212 Ų | 212 | 148.5 Ų | 148.5 | 93% | 0.93 | 76% | 0.762 | S | S | * | * | | | trans | 93.5 | 130.4 | 156.2 | -146.9 | -101.7 | 0 | 0 | 0 | 120.5 | | |
| 74 | M | 50 | Low | 42.1 | Very low | 162 Ų | 162 | 148.9 Ų | 148.9 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | | | trans | -71.9 | 156.6 | -176 | -66.5 | -73.3 | 170.9 | 0 | 0 | 113 | | |
| 75 | N | 42.8 | Very low | 42.4 | Very low | 163 Ų | 163 | 148.7 Ų | 148.7 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | | | trans | -148.4 | 130.8 | 137.7 | -153.9 | 2.5 | 0 | 0 | 0 | 110.8 | | |
| 76 | D | 46.9 | Very low | 42.8 | Very low | 137 Ų | 137 | 143.5 Ų | 143.5 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | | | trans | -93.9 | 177.5 | -177 | -138.2 | -23.9 | 0 | 0 | 0 | 109.5 | | |
| 77 | D | 45.1 | Very low | 43.8 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 66% | 0.658 | 77% | 0.774 | S | S | * | * | | | trans | 93.8 | 106.7 | 152.4 | -59.5 | -32.1 | 0 | 0 | 0 | 121.1 | | |
| 78 | E | 42.8 | Very low | 44.1 | Very low | 167 Ų | 167 | 140 Ų | 140 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | | | | 97.3 | 112.9 | 115.7 | -74 | -160.1 | 169.9 | 0 | 0 | 121.9 | | |
| 79 | N | 42.1 | Very low | 45.1 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | | | | 60.7 | 109.1 | 117.5 | -171 | 25.1 | 0 | 0 | 0 | 119.1 | | |
| 80 | K | 49.3 | Very low | 45.6 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | | | | 178 | 144.4 | 101.6 | -129.8 | 141.9 | -179.9 | 174.9 | 0 | 112.9 | | |
| 81 | N | 47.1 | Very low | 46.2 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 61% | 0.61 | 78% | 0.778 | S | S | * | * | | | trans | -45 | 145.5 | 160.3 | 64.3 | 81.7 | 0 | 0 | 0 | 113.1 | | |
| 82 | S | 51.5 | Low | 46.6 | Very low | 122 Ų | 122 | 142 Ų | 142 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | | | trans | -132.7 | 134 | 152.2 | 71.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 83 | K | 41 | Very low | 47.2 | Very low | 166 Ų | 166 | 145 Ų | 145 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | | | trans | -85.6 | 153.6 | -168 | -71.2 | 168.6 | 173.9 | 171.7 | 0 | 111.4 | | |
| 84 | N | 49.8 | Very low | 47.9 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | | | trans | -2.9 | 128 | 152.2 | 55.5 | 36.8 | 0 | 0 | 0 | 118.8 | | |
| 85 | T | 42 | Very low | 47.7 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | | | trans | -145.4 | 115.3 | 146.5 | 30.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 86 | G | 41.9 | Very low | 48.1 | Very low | 80 Ų | 80 | 138.5 Ų | 138.5 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | | | trans | -80.1 | 132.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 87 | S | 49 | Very low | 48.4 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 88% | 0.881 | 75% | 0.754 | S | S | * | * | | | trans | -97.1 | 99.6 | 164.3 | 56.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 88 | K | 47.2 | Very low | 48.7 | Very low | 179 Ų | 179 | 138.6 Ų | 138.6 | 78% | 0.778 | 76% | 0.763 | S | S | * | * | | | trans | -73.4 | 131.1 | 166.5 | -83 | 177.7 | 174.4 | 177.7 | 0 | 109.1 | | |
| 89 | Q | 54.9 | Low | 49.1 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | | | trans | 64.1 | 122.5 | 137.9 | -53.6 | 167.9 | 28.1 | 0 | 0 | 117.4 | | |
| 90 | N | 51.7 | Low | 49.5 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | | -170.8 | 104.8 | 115 | -84.3 | -40.4 | 0 | 0 | 0 | 110.4 | I92 | N90-I92 PolarHBondContact O-N 2.95Š|
| 91 | L | 55.8 | Low | 49.8 | Very low | 155 Ų | 155 | 135 Ų | 135 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | | | trans | -64.2 | 110.2 | 158.6 | -88.1 | 131 | 0 | 0 | 0 | 108.2 | N93 | L91-N93 PolarHBondContact O-N 3.41Š|
| 92 | I | 52.1 | Low | 50 | Low | 132 Ų | 132 | 136.9 Ų | 136.9 | 68% | 0.677 | 78% | 0.78 | S | S | * | * | | | trans | -94.9 | 86.6 | 165.3 | -59.5 | 179.9 | 0 | 0 | 0 | 107.4 | N90 H94 | N90-I92 PolarHBondContact O-N 2.95Å; I92-H94 WeakPolarHBondContact CG2-CD2 3.26Å; I92-H94 WeakPolarHBondContact CG2-NE2 3.39Å; I92-H94 PolarHBondContact O-N 3.39Å |
| 93 | N | 52.7 | Low | 49.9 | Very low | 132 Ų | 132 | 138.5 Ų | 138.5 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | trans | -77.9 | 101.9 | 156.1 | -73.3 | -72.6 | 0 | 0 | 0 | 107.9 | L91 | L91-N93 PolarHBondContact O-N 3.41Š|
| 94 | H | 49.5 | Very low | 50.3 | Low | 168 Ų | 168 | 136.5 Ų | 136.5 | 78% | 0.778 | 78% | 0.775 | S | S | * | * | | | trans | -119.5 | 98.3 | 153.3 | -64.8 | -55.1 | 0 | 0 | 0 | 104.3 | I92 | I92-H94 WeakPolarHBondContact CG2-CD2 3.26Å; I92-H94 WeakPolarHBondContact CG2-NE2 3.39Å; I92-H94 PolarHBondContact O-N 3.39Å |
| 95 | G | 47 | Very low | 49.9 | Very low | 73 Ų | 73 | 138.7 Ų | 138.7 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | | | | 81 | 59.5 | 57.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | P97 | G95-P97 WeakPolarHBondContact O-CD 3.48Š|
| 96 | L | 50.4 | Low | 50.4 | Low | 161 Ų | 161 | 140.1 Ų | 140.1 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | | | trans | -108.4 | 94.4 | 166.9 | -163.5 | 79.1 | 0 | 0 | 0 | 108.9 | L98 | L96-L98 PolarHBondContact O-N 3.44Š|
| 97 | P | 52.8 | Low | 50.5 | Low | 98 Ų | 98 | 141 Ų | 141 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | | | trans | -78.1 | 109.8 | 172.5 | 30.6 | -30.9 | 0 | 0 | 0 | 109.1 | G95 N99 | G95-P97 WeakPolarHBondContact O-CD 3.48Å; P97-N99 VanDerWaalsContact C-N 3.27Å; P97-N99 PolarHBondContact O-N 3.32Å; P97-N99 PolarHBondContact O-ND2 3.33Å |
| 98 | L | 51.3 | Low | 50.6 | Low | 164 Ų | 164 | 143.4 Ų | 143.4 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | | | trans | -59.9 | 87.9 | 165.2 | -87.2 | 149 | 0 | 0 | 0 | 109.5 | L96 | L96-L98 PolarHBondContact O-N 3.44Š|
| 99 | N | 53.1 | Low | 50.3 | Low | 135 Ų | 135 | 145.1 Ų | 145.1 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | | | trans | -94.9 | 82.9 | 165.5 | -77 | -79.7 | 0 | 0 | 0 | 108.8 | P97 | P97-N99 VanDerWaalsContact C-N 3.27Å; P97-N99 PolarHBondContact O-N 3.32Å; P97-N99 PolarHBondContact O-ND2 3.33Å |
| 100 | L | 49.6 | Very low | 49.7 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | | | trans | -113.3 | 82 | 157.1 | -120.5 | 76.4 | 0 | 0 | 0 | 107.8 | L102 | L100-L102 PolarHBondContact O-N 3.21Š|
| 101 | A | 56 | Low | 49.2 | Very low | 101 Ų | 101 | 140.1 Ų | 140.1 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | trans | -69.7 | 80.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 102 | L | 51.1 | Low | 48.7 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | | | trans | -96.7 | 100 | 171.2 | -141.2 | 73.1 | 0 | 0 | 0 | 108.4 | L100 | L100-L102 PolarHBondContact O-N 3.21Š|
| 103 | K | 50 | Low | 48.3 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 68% | 0.683 | 79% | 0.791 | S | S | * | * | | | trans | -57.7 | 142.1 | 176.3 | -78.7 | 179.1 | 172.8 | 179.7 | 0 | 111.1 | Y105 | K103-Y105 HydrophobicContact CB-CD2 4.22Å; K103-Y105 HydrophobicContact CB-CE2 4.14Å; K103-Y105 HydrophobicContact CD-CE2 3.81Å |
| 104 | P | 49.4 | Very low | 47.9 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | | | trans | -83.9 | 117.8 | 167.4 | 33 | -26.9 | 0 | 0 | 0 | 108.8 | | |
| 105 | Y | 40.3 | Very low | 47.7 | Very low | 189 Ų | 189 | 137.2 Ų | 137.2 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | | | trans | -118.3 | 102.9 | 160.7 | -80.7 | -75.1 | 0 | 0 | 0 | 109.5 | K103 A107 | K103-Y105 HydrophobicContact CB-CD2 4.22Å; K103-Y105 HydrophobicContact CB-CE2 4.14Å; K103-Y105 HydrophobicContact CD-CE2 3.81Å; Y105-A107 PolarHBondContact O-N 3.42Å |
| 106 | L | 52 | Low | 47.5 | Very low | 176 Ų | 176 | 138 Ų | 138 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | | | trans | -53.8 | 118.5 | 152.7 | -72.3 | 160.8 | 0 | 0 | 0 | 108.6 | | |
| 107 | A | 45.1 | Very low | 47 | Very low | 99 Ų | 99 | 139.2 Ų | 139.2 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -134.7 | 88.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y105 K109 | Y105-A107 PolarHBondContact O-N 3.42Å; A107-K109 PolarHBondContact O-N 3.35Å |
| 108 | L | 50.1 | Low | 46.6 | Very low | 176 Ų | 176 | 141.9 Ų | 141.9 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | | | trans | -64 | 105 | 166 | -179.6 | 81.6 | 0 | 0 | 0 | 109.9 | | |
| 109 | K | 41.8 | Very low | 46.2 | Very low | 214 Ų | 214 | 137.4 Ų | 137.4 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | | | trans | -178.3 | 129.1 | 150 | -132.4 | 166.6 | 172.6 | 177 | 0 | 112.5 | A107 | A107-K109 PolarHBondContact O-N 3.35Š|
| 110 | G | 42.2 | Very low | 45.4 | Very low | 69 Ų | 69 | 136.9 Ų | 136.9 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | | | trans | 155.7 | 78.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 111 | S | 42.1 | Very low | 44.8 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | trans | 41.1 | 113.9 | 150.2 | 60 | 0 | 0 | 0 | 0 | 121.1 | | |
| 112 | V | 44.5 | Very low | 44 | Very low | 120 Ų | 120 | 140 Ų | 140 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -54.6 | 135 | 157.5 | 170.6 | 0 | 0 | 0 | 0 | 112.1 | F114 | V112-F114 HydrophobicContact CG1-CD2 3.55Å; V112-F114 HydrophobicContact CG1-CE2 3.64Å |
| 113 | A | 44.6 | Very low | 43.6 | Very low | 97 Ų | 97 | 139 Ų | 139 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | | | trans | -147.6 | 106.5 | 151.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 114 | F | 42.9 | Very low | 43.3 | Very low | 185 Ų | 185 | 140 Ų | 140 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 140.6 | 169.5 | -71.9 | -89.1 | 0 | 0 | 0 | 109.6 | V112 | V112-F114 HydrophobicContact CG1-CD2 3.55Å; V112-F114 HydrophobicContact CG1-CE2 3.64Å |
| 115 | P | 46.3 | Very low | 43.1 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 140 | 163.5 | 29.4 | -28.5 | 0 | 0 | 0 | 110.5 | | |
| 116 | A | 41.3 | Very low | 43.1 | Very low | 88 Ų | 88 | 136.2 Ų | 136.2 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 137.5 | -172 | 0 | 0 | 0 | 0 | 0 | 114.1 | N118 | A116-N118 PolarHBondContact O-N 3.04Š|
| 117 | E | 41 | Very low | 42.4 | Very low | 187 Ų | 187 | 136.6 Ų | 136.6 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | -65.8 | 107.3 | 162.4 | 60.1 | -160.3 | 176.9 | 0 | 0 | 110.4 | | |
| 118 | N | 45.1 | Very low | 42 | Very low | 154 Ų | 154 | 137.9 Ų | 137.9 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | trans | -114.4 | 98.1 | 160.6 | -75.5 | 12.4 | 0 | 0 | 0 | 107 | A116 | A116-N118 PolarHBondContact O-N 3.04Š|
| 119 | G | 41.3 | Very low | 41.7 | Very low | 70 Ų | 70 | 139.2 Ų | 139.2 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | | | trans | -65 | 154.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 120 | V | 37.5 | Very low | 41.9 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | trans | -176.2 | 121.9 | 144.6 | 139.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 121 | Q | 36.9 | Very low | 41.8 | Very low | 153 Ų | 153 | 142.9 Ų | 142.9 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | | | trans | 71 | 97.9 | 145.3 | -65.9 | 171.6 | 38.4 | 0 | 0 | 121.1 | | |
| 122 | N | 38.9 | Very low | 41.7 | Very low | 160 Ų | 160 | 144.8 Ų | 144.8 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | | | | -2.9 | 114.9 | 123.7 | -21.3 | -28.3 | 0 | 0 | 0 | 115.1 | | |
| 123 | T | 42.3 | Very low | 41.7 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 80% | 0.798 | 78% | 0.784 | S | S | * | * | | | trans | -143 | 101.9 | 149.9 | 56.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 124 | E | 44.6 | Very low | 41.2 | Very low | 180 Ų | 180 | 144.1 Ų | 144.1 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | | | trans | -60.1 | 126.8 | 150.7 | 172.6 | -172.3 | 141.7 | 0 | 0 | 108.8 | | |
| 125 | S | 44.5 | Very low | 41.7 | Very low | 111 Ų | 111 | 142.4 Ų | 142.4 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | -155.2 | 98.6 | 151.4 | 82.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 126 | T | 40.9 | Very low | 41.9 | Very low | 121 Ų | 121 | 144.9 Ų | 144.9 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | | | trans | -9.2 | 125.2 | 142.4 | -45 | 0 | 0 | 0 | 0 | 116.3 | | |
| 127 | Q | 37.2 | Very low | 42.2 | Very low | 184 Ų | 184 | 147.3 Ų | 147.3 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | trans | -162.1 | 101.7 | 132.2 | -164.3 | 161.2 | -9.5 | 0 | 0 | 112.5 | | |
| 128 | E | 36.5 | Very low | 42.7 | Very low | 126 Ų | 126 | 144.5 Ų | 144.5 | 59% | 0.589 | 78% | 0.777 | S | S | * | * | | | trans | -12.6 | 122.5 | 143.1 | -174.2 | -167.4 | 158.9 | 0 | 0 | 117 | R130 | E128-R130 IonicContact OE1-CZ 3.2Å; E128-R130 IonicContact OE1-NE 2.81Å; E128-R130 PolarHBondContact OE1-NE 3.31Å; E128-R130 IonicContact OE1-NH2 2.73Å; E128-R130 PolarHBondContact OE1-NH2 3.44Å |
| 129 | K | 43.2 | Very low | 43.1 | Very low | 203 Ų | 203 | 139.1 Ų | 139.1 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | | | trans | -145.6 | 102.4 | 138.1 | -159 | -176.3 | 177.4 | -157.5 | 0 | 110.5 | | |
| 130 | R | 46.7 | Very low | 43.6 | Very low | 191 Ų | 191 | 145.4 Ų | 145.4 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | | | trans | -21.7 | 153.6 | 154 | -65.6 | 176.8 | -134.4 | 164.9 | 1.8 | 113.8 | E128 | E128-R130 IonicContact OE1-CZ 3.2Å; E128-R130 IonicContact OE1-NE 2.81Å; E128-R130 PolarHBondContact OE1-NE 3.31Å; E128-R130 IonicContact OE1-NH2 2.73Å; E128-R130 PolarHBondContact OE1-NH2 3.44Å |
| 131 | E | 39 | Very low | 44.2 | Very low | 169 Ų | 169 | 146.5 Ų | 146.5 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | | | cis | 178.1 | 179.4 | 8.7 | 162 | 178.7 | -163.2 | 0 | 0 | 104.7 | | |
| 132 | I | 40.4 | Very low | 44.8 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | | | trans | 101 | 86.6 | -175.1 | -51.2 | 152.7 | 0 | 0 | 0 | 108.1 | | |
| 133 | G | 45.3 | Very low | 45.6 | Very low | 72 Ų | 72 | 141.2 Ų | 141.2 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | | | cis | 80.9 | 72.1 | 46 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 134 | D | 34 | Very low | 46.2 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | | | trans | -159.9 | 139.1 | 149.8 | -156.2 | -13.9 | 0 | 0 | 0 | 108.1 | | |
| 135 | E | 51.9 | Low | 46.9 | Very low | 149 Ų | 149 | 139.7 Ų | 139.7 | 70% | 0.696 | 72% | 0.724 | S | S | * | * | | | trans | -59.3 | 168.8 | -173.7 | 42.2 | -104.7 | 176.8 | 0 | 0 | 113.9 | | |
| 136 | E | 52 | Low | 47.6 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | | | trans | 60.4 | 64.7 | 148.6 | 68.1 | -177.8 | 168.5 | 0 | 0 | 119.6 | | |
| 137 | N | 47.8 | Very low | 48.6 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 74% | 0.743 | 71% | 0.706 | S | S | * | * | | | trans | -142 | 96.7 | 146.4 | -155.2 | -28.3 | 0 | 0 | 0 | 112 | A139 | N137-A139 PolarHBondContact O-N 2.9Å; N137-A139 WeakPolarHBondContact OD1-CB 3.45Å; N137-A139 PolarHBondContact OD1-N 3.5Å |
| 138 | S | 50.8 | Low | 49.6 | Very low | 128 Ų | 128 | 139 Ų | 139 | 90% | 0.895 | 69% | 0.691 | S | S | * | * | | | trans | -67.9 | 66.8 | 163.7 | 175.6 | 0 | 0 | 0 | 0 | 110 | | |
| 139 | A | 52.6 | Low | 50.8 | Low | 41 Ų | 41 | 137.4 Ų | 137.4 | 34% | 0.339 | 69% | 0.686 | S | S | . | * | | | trans | -138.6 | 74.1 | 161 | 0 | 0 | 0 | 0 | 0 | 106.7 | N137 F141 | N137-A139 PolarHBondContact O-N 2.9Å; N137-A139 WeakPolarHBondContact OD1-CB 3.45Å; N137-A139 PolarHBondContact OD1-N 3.5Å; A139-F141 HydrophobicContact CB-CD2 3.92Å; A139-F141 HydrophobicContact CB-CE2 3.55Å; A139-F141 HydrophobicContact CB-CZ 4.08Å; A139-F141 VanDerWaalsContact O-CD2 3.22Å; A139-F141 WeakPolarHBondContact O-CD2 3.19Å; A139-F141 PolarHBondContact O-N 2.75Å |
| 140 | K | 51.5 | Low | 51.7 | Low | 201 Ų | 201 | 132.8 Ų | 132.8 | 87% | 0.874 | 67% | 0.669 | S | S | * | * | | | trans | -62.8 | 80.2 | 160.1 | -174.1 | 155.9 | -177.4 | 179.4 | 0 | 107.1 | P142 | K140-P142 WeakPolarHBondContact O-CD 3.37Š|
| 141 | F | 50.8 | Low | 52.6 | Low | 147 Ų | 147 | 127.9 Ų | 127.9 | 65% | 0.645 | 66% | 0.657 | S | S | * | * | | | trans | -62.6 | 121.7 | 171 | -74.6 | -79.6 | 0 | 0 | 0 | 106.9 | A139 I143 | A139-F141 HydrophobicContact CB-CD2 3.92Å; A139-F141 HydrophobicContact CB-CE2 3.55Å; A139-F141 HydrophobicContact CB-CZ 4.08Å; A139-F141 VanDerWaalsContact O-CD2 3.22Å; A139-F141 WeakPolarHBondContact O-CD2 3.19Å; A139-F141 PolarHBondContact O-N 2.75Å; F141-I143 HydrophobicContact CB-CD1 3.36Å; F141-I143 HydrophobicContact CB-CG1 3.75Å; F141-I143 HydrophobicContact CD1-CD1 4.27Å; F141-I143 HydrophobicContact CD2-CD1 4.49Å; F141-I143 HydrophobicContact CG-CD1 3.83Å; F141-I143 PolarHBondContact O-N 2.95Å |
| 142 | P | 50.7 | Low | 53.7 | Low | 117 Ų | 117 | 128.6 Ų | 128.6 | 76% | 0.76 | 65% | 0.652 | S | S | * | * | | | trans | -77.6 | 63.7 | 170 | 35 | -32 | 0 | 0 | 0 | 106.8 | K140 G144 | K140-P142 WeakPolarHBondContact O-CD 3.37Å; P142-G144 PolarHBondContact O-N 2.85Å |
| 143 | I | 54.4 | Low | 54.7 | Low | 86 Ų | 86 | 121.8 Ų | 121.8 | 44% | 0.441 | 62% | 0.619 | S | S | . | * | | | trans | -77.1 | 77.6 | 175.5 | -74 | 152.8 | 0 | 0 | 0 | 106.8 | F141 F148 | F141-I143 HydrophobicContact CB-CD1 3.36Å; F141-I143 HydrophobicContact CB-CG1 3.75Å; F141-I143 HydrophobicContact CD1-CD1 4.27Å; F141-I143 HydrophobicContact CD2-CD1 4.49Å; F141-I143 HydrophobicContact CG-CD1 3.83Å; F141-I143 PolarHBondContact O-N 2.95Å; I143-F148 HydrophobicContact CG2-CD2 3.34Å; I143-F148 HydrophobicContact CG2-CE2 3.21Å; I143-F148 HydrophobicContact CG2-CZ 4.3Å |
| 144 | G | 56.2 | Low | 55.4 | Low | 44 Ų | 44 | 124.4 Ų | 124.4 | 45% | 0.454 | 61% | 0.613 | S | S | . | * | | | trans | -62.4 | 138.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | P142 R146 D147 | P142-G144 PolarHBondContact O-N 2.85Å; G144-R146 PolarHBondContact O-N 2.93Å; G144-D147 PolarHBondContact O-N 2.81Å; G144-D147 VanDerWaalsContact O-N 3.13Å |
| 145 | R | 57.5 | Low | 56.8 | Low | 234 Ų | 234 | 125.1 Ų | 125.1 | 88% | 0.883 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.1 | -16.6 | -178 | -78.3 | -177.2 | 167.9 | -175.2 | -2.5 | 117.1 | | |
| 146 | R | 59.7 | Low | 57.2 | Low | 212 Ų | 212 | 120 Ų | 120 | 80% | 0.8 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.6 | -36.5 | 178.6 | -165.7 | 179.6 | -67.7 | 135.6 | -2.9 | 113.4 | G144 D149 M150 | G144-R146 PolarHBondContact O-N 2.93Å; R146-D149 PolarHBondContact O-N 3.17Å; R146-M150 PolarHBondContact O-N 3.16Å |
| 147 | D | 61.6 | Low | 57.5 | Low | 65 Ų | 65 | 123.3 Ų | 123.3 | 35% | 0.348 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -76.2 | -30.1 | -175.2 | -58.5 | -32.8 | 0 | 0 | 0 | 112 | G144 D149 M150 L151 | G144-D147 PolarHBondContact O-N 2.81Å; G144-D147 VanDerWaalsContact O-N 3.13Å; D147-D149 VanDerWaalsContact C-N 3.29Å; D147-D149 PolarHBondContact O-N 3.42Å; D147-M150 PolarHBondContact O-N 3.32Å; D147-L151 WeakPolarHBondContact O-CB 3.24Å; D147-L151 VanDerWaalsContact O-CG 3.24Å; D147-L151 WeakPolarHBondContact O-CG 3.46Å; D147-L151 PolarHBondContact O-N 3.44Å |
| 148 | F | 59 | Low | 57.8 | Low | 123 Ų | 123 | 123.1 Ų | 123.1 | 54% | 0.539 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.2 | -32.2 | 172.2 | -90.3 | -72.1 | 0 | 0 | 0 | 112.8 | I143 R152 | I143-F148 HydrophobicContact CG2-CD2 3.34Å; I143-F148 HydrophobicContact CG2-CE2 3.21Å; I143-F148 HydrophobicContact CG2-CZ 4.3Å; F148-R152 WeakPolarHBondContact O-CB 3.35Å; F148-R152 PolarHBondContact O-N 3.12Å |
| 149 | D | 61.3 | Low | 57.7 | Low | 93 Ų | 93 | 123.8 Ų | 123.8 | 50% | 0.497 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -74.7 | -40.5 | 178.6 | -156.8 | 40.2 | 0 | 0 | 0 | 111.2 | R146 D147 L151 R152 C153 | R146-D149 PolarHBondContact O-N 3.17Å; D147-D149 VanDerWaalsContact C-N 3.29Å; D147-D149 PolarHBondContact O-N 3.42Å; D149-L151 VanDerWaalsContact C-N 3.32Å; D149-L151 PolarHBondContact O-N 3.42Å; D149-R152 PolarHBondContact O-N 3.33Å; D149-C153 WeakPolarHBondContact O-CB 3.22Å; D149-C153 PolarHBondContact O-N 3.32Å |
| 150 | M | 62.7 | Low | 57.8 | Low | 107 Ų | 107 | 130.9 Ų | 130.9 | 53% | 0.527 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -61.6 | -40.2 | 172.4 | -170.4 | 171.9 | 68.7 | 0 | 0 | 112 | R146 D147 C153 M154 | R146-M150 PolarHBondContact O-N 3.16Å; D147-M150 PolarHBondContact O-N 3.32Å; M150-C153 WeakPolarHBondContact O-CB 3.43Å; M150-C153 PolarHBondContact O-N 3.24Å; M150-M154 PolarHBondContact O-N 3.31Å |
| 151 | L | 64.8 | Low | 58 | Low | 88 Ų | 88 | 122.3 Ų | 122.3 | 46% | 0.461 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.8 | -38.2 | 176.7 | -70 | 168.3 | 0 | 0 | 0 | 112.4 | D147 D149 C153 M154 L155 | D147-L151 WeakPolarHBondContact O-CB 3.24Å; D147-L151 VanDerWaalsContact O-CG 3.24Å; D147-L151 WeakPolarHBondContact O-CG 3.46Å; D147-L151 PolarHBondContact O-N 3.44Å; D149-L151 VanDerWaalsContact C-N 3.32Å; D149-L151 PolarHBondContact O-N 3.42Å; L151-C153 VanDerWaalsContact C-N 3.27Å; L151-C153 PolarHBondContact O-N 3.46Å; L151-M154 PolarHBondContact O-N 3Å; L151-L155 PolarHBondContact O-N 2.68Å |
| 152 | R | 62.1 | Low | 58.6 | Low | 184 Ų | 184 | 119.5 Ų | 119.5 | 69% | 0.694 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -60.7 | -36.8 | 171 | -94.4 | -164.7 | -175.4 | 102.2 | 1.2 | 112.2 | F148 D149 M154 G156 | F148-R152 WeakPolarHBondContact O-CB 3.35Å; F148-R152 PolarHBondContact O-N 3.12Å; D149-R152 PolarHBondContact O-N 3.33Å; R152-M154 VanDerWaalsContact C-N 3.29Å; R152-M154 PolarHBondContact O-N 3.45Å; R152-G156 PolarHBondContact O-N 3.13Å |
| 153 | C | 62.2 | Low | 59.1 | Low | 20 Ų | 20 | 123.4 Ų | 123.4 | 14% | 0.135 | 58% | 0.576 | C | S | . | * | H | α-helix | trans | -64.8 | -30 | 176.9 | -172.1 | 0 | 0 | 0 | 0 | 113.3 | D149 M150 L151 R160 | D149-C153 WeakPolarHBondContact O-CB 3.22Å; D149-C153 PolarHBondContact O-N 3.32Å; M150-C153 WeakPolarHBondContact O-CB 3.43Å; M150-C153 PolarHBondContact O-N 3.24Å; L151-C153 VanDerWaalsContact C-N 3.27Å; L151-C153 PolarHBondContact O-N 3.46Å; C153-R160 PolarHBondContact SG-O 2.74Å |
| 154 | M | 59.3 | Low | 58.9 | Low | 127 Ų | 127 | 124.9 Ų | 124.9 | 63% | 0.626 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -88.5 | -29.7 | 178.6 | -67.6 | -142.1 | -100.8 | 0 | 0 | 113.6 | M150 L151 R152 Y159 | M150-M154 PolarHBondContact O-N 3.31Å; L151-M154 PolarHBondContact O-N 3Å; R152-M154 VanDerWaalsContact C-N 3.29Å; R152-M154 PolarHBondContact O-N 3.45Å; M154-Y159 HydrophobicContact CG-CD2 4.26Å; M154-Y159 HydrophobicContact CG-CE2 4.13Å |
| 155 | L | 64.6 | Low | 58.7 | Low | 147 Ų | 147 | 132.9 Ų | 132.9 | 77% | 0.77 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -91.1 | -22.7 | -178.7 | -70.7 | 160.3 | 0 | 0 | 0 | 113.5 | L151 | L151-L155 PolarHBondContact O-N 2.68Å |
| 156 | G | 60.8 | Low | 58.8 | Low | 41 Ų | 41 | 127.9 Ų | 127.9 | 42% | 0.423 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -77.6 | 118.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | R152 V158 | R152-G156 PolarHBondContact O-N 3.13Å; G156-V158 PolarHBondContact O-N 2.8Å |
| 157 | R | 56.7 | Low | 58.7 | Low | 245 Ų | 245 | 123.4 Ų | 123.4 | 93% | 0.925 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -45.8 | 123.4 | -175.3 | -54.9 | -166.1 | -177.1 | -169.5 | 2.6 | 112.1 | | |
| 158 | V | 55.1 | Low | 58.6 | Low | 135 Ų | 135 | 126.7 Ų | 126.7 | 82% | 0.818 | 61% | 0.612 | S | S | * | * | S | Bend | trans | 70 | 92.2 | -173.6 | -167 | 0 | 0 | 0 | 0 | 113.3 | G156 R160 | G156-V158 PolarHBondContact O-N 2.8Å; V158-R160 PolarHBondContact O-N 2.83Å |
| 159 | Y | 48 | Very low | 58.5 | Low | 142 Ų | 142 | 126.9 Ų | 126.9 | 56% | 0.557 | 62% | 0.616 | S | S | * | * | | | trans | -47 | 102.6 | 170.7 | -175.6 | -99.4 | 0 | 0 | 0 | 111.7 | M154 P161 | M154-Y159 HydrophobicContact CG-CD2 4.26Å; M154-Y159 HydrophobicContact CG-CE2 4.13Å; Y159-P161 HydrophobicContact CD1-CB 4.32Å; Y159-P161 HydrophobicContact CD1-CG 4.45Å; Y159-P161 HydrophobicContact CE1-CB 3.61Å; Y159-P161 HydrophobicContact CE1-CG 4.06Å |
| 160 | R | 55 | Low | 58.4 | Low | 190 Ų | 190 | 129 Ų | 129 | 72% | 0.717 | 62% | 0.623 | S | S | * | * | | | trans | -95.6 | 109 | 158 | -98.1 | -148.2 | -170.5 | -141.2 | 6.4 | 107 | C153 V158 C162 | C153-R160 PolarHBondContact SG-O 2.74Å; V158-R160 PolarHBondContact O-N 2.83Å; R160-C162 PolarHBondContact O-N 2.8Å |
| 161 | P | 56.2 | Low | 58.1 | Low | 22 Ų | 22 | 130.5 Ų | 130.5 | 14% | 0.143 | 63% | 0.63 | C | S | . | * | | | trans | -66.3 | 129.3 | -178.9 | 26.5 | -31.4 | 0 | 0 | 0 | 110 | Y159 W163 Q164 | Y159-P161 HydrophobicContact CD1-CB 4.32Å; Y159-P161 HydrophobicContact CD1-CG 4.45Å; Y159-P161 HydrophobicContact CE1-CB 3.61Å; Y159-P161 HydrophobicContact CE1-CG 4.06Å; P161-W163 HydrophobicContact CB-CG 4.32Å; P161-W163 HydrophobicContact CG-CZ2 4.04Å; P161-W163 PolarHBondContact O-N 3.37Å; P161-Q164 PolarHBondContact O-N 2.73Å |
| 162 | C | 62.6 | Low | 57.6 | Low | 88 Ų | 88 | 133.5 Ų | 133.5 | 60% | 0.595 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 13.8 | -174.7 | -3.8 | 0 | 0 | 0 | 0 | 114.9 | R160 | R160-C162 PolarHBondContact O-N 2.8Š|
| 163 | W | 61.3 | Low | 57.3 | Low | 198 Ų | 198 | 129.6 Ų | 129.6 | 75% | 0.75 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -4.8 | 171.2 | 59.8 | -102.3 | 0 | 0 | 0 | 113.4 | P161 V165 | P161-W163 HydrophobicContact CB-CG 4.32Å; P161-W163 HydrophobicContact CG-CZ2 4.04Å; P161-W163 PolarHBondContact O-N 3.37Å; W163-V165 PolarHBondContact O-N 2.81Å |
| 164 | Q | 50.4 | Low | 56.9 | Low | 118 Ų | 118 | 138.8 Ų | 138.8 | 55% | 0.551 | 68% | 0.68 | S | S | * | * | | | trans | -96.5 | 95.8 | 178.3 | -161.3 | 172.3 | -3.1 | 0 | 0 | 109.4 | P161 | P161-Q164 PolarHBondContact O-N 2.73Š|
| 165 | V | 52.3 | Low | 56.6 | Low | 212 Ų | 212 | 139.8 Ų | 139.8 | 100% | 1.285 | 69% | 0.685 | S | S | * | * | | | trans | -64.2 | 0 | 177.2 | -171.6 | 0 | 0 | 0 | 0 | 111 | W163 | W163-V165 PolarHBondContact O-N 2.81Š|