| 1 | M | 60.2 | Low | 65.9 | Low | 164 Ų | 164 | 107.8 Ų | 107.8 | 81% | 0.808 | 60% | 0.599 | S | S | * | * | | | | 0 | -45.7 | 0 | -161.3 | 170.5 | -167 | 0 | 0 | 113.1 | Y3 C4 A5 | M1-Y3 VanDerWaalsContact N-CE2 3.34Å; M1-C4 VanDerWaalsContact O-CB 3.29Å; M1-C4 PolarHBondContact O-N 3.05Å; M1-C4 WeakPolarHBondContact O-CB 3.37Å; M1-A5 PolarHBondContact O-N 3.39Å |
| 2 | F | 59.6 | Low | 66.9 | Low | 180 Ų | 180 | 109.5 Ų | 109.5 | 79% | 0.789 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.7 | -41.7 | -177.6 | -138 | -95.6 | 0 | 0 | 0 | 114.1 | C4 A5 T6 | F2-C4 PolarHBondContact O-N 3.48Å; F2-A5 PolarHBondContact O-N 3.18Å; F2-T6 WeakPolarHBondContact O-CB 3.47Å; F2-T6 PolarHBondContact O-N 3.27Å; F2-T6 VanDerWaalsContact O-N 3.09Å |
| 3 | Y | 59.7 | Low | 67.6 | Low | 129 Ų | 129 | 105.6 Ų | 105.6 | 51% | 0.506 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.7 | -24.3 | 173.9 | 20.1 | -90.7 | 0 | 0 | 0 | 112.9 | M1 L7 W18 | M1-Y3 VanDerWaalsContact N-CE2 3.34Å; Y3-L7 WeakPolarHBondContact O-CB 3.33Å; Y3-L7 PolarHBondContact O-N 3.09Å; Y3-W18 AromaticContact CE2-NE1 3.28Å; Y3-W18 VanDerWaalsContact CE2-NE1 3.28Å; Y3-W18 AromaticContact CZ-NE1 3.58Å; Y3-W18 VanDerWaalsContact OH-CE2 3.28Å; Y3-W18 WeakPolarHBondContact OH-CZ2 3.37Å; Y3-W18 PolarHBondContact OH-NE1 3.25Å |
| 4 | C | 66.3 | Low | 68.3 | Low | 10 Ų | 10 | 99 Ų | 99 | 7% | 0.068 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -73 | -44.1 | 178.9 | -47.1 | 0 | 0 | 0 | 0 | 112.2 | M1 F2 V9 C14 | M1-C4 VanDerWaalsContact O-CB 3.29Å; M1-C4 PolarHBondContact O-N 3.05Å; M1-C4 WeakPolarHBondContact O-CB 3.37Å; F2-C4 PolarHBondContact O-N 3.48Å; C4-V9 HydrophobicContact CB-CG2 4.36Å; C4-V9 PolarHBondContact O-N 3.43Å; C4-C14 WeakPolarHBondContact CA-SG 2.83Å; C4-C14 HydrophobicContact CB-CB 3.33Å; C4-C14 WeakPolarHBondContact CB-SG 3.29Å; C4-C14 WeakPolarHBondContact SG-CB 2.86Å; C4-C14 CovalentContact SG-SG 1.99Å; C4-C14 PolarHBondContact SG-SG 1.99Å |
| 5 | A | 68.6 | Low | 68.8 | Low | 81 Ų | 81 | 99.4 Ų | 99.4 | 67% | 0.669 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -75.3 | -35.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1 F2 | M1-A5 PolarHBondContact O-N 3.39Å; F2-A5 PolarHBondContact O-N 3.18Å |
| 6 | T | 63.9 | Low | 69.4 | Low | 105 Ų | 105 | 96.9 Ų | 96.9 | 64% | 0.644 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -78 | -34.8 | -174.7 | -154.6 | 0 | 0 | 0 | 0 | 113.4 | F2 | F2-T6 WeakPolarHBondContact O-CB 3.47Å; F2-T6 PolarHBondContact O-N 3.27Å; F2-T6 VanDerWaalsContact O-N 3.09Å |
| 7 | L | 65.4 | Low | 69.9 | Low | 135 Ų | 135 | 102.1 Ų | 102.1 | 71% | 0.707 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 0.6 | -177.6 | -127.5 | 82.8 | 0 | 0 | 0 | 113.1 | Y3 V9 | Y3-L7 WeakPolarHBondContact O-CB 3.33Å; Y3-L7 PolarHBondContact O-N 3.09Å; L7-V9 HydrophobicContact CB-CG1 4.25Å; L7-V9 HydrophobicContact CB-CG2 4.34Å; L7-V9 HydrophobicContact CD2-CG1 4.38Å; L7-V9 PolarHBondContact O-N 3.34Å |
| 8 | G | 67 | Low | 69.9 | Low | 66 Ų | 66 | 105.3 Ų | 105.3 | 68% | 0.68 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.5 | 18.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N10 | G8-N10 PolarHBondContact O-N 2.85Š|
| 9 | V | 68.3 | Low | 70.2 | Confident | 59 Ų | 59 | 107.1 Ų | 107.1 | 36% | 0.358 | 57% | 0.573 | S | S | . | * | | | trans | -74.5 | 129.5 | 177.4 | -71.7 | 0 | 0 | 0 | 0 | 108.8 | C4 L7 L11 C14 | C4-V9 HydrophobicContact CB-CG2 4.36Å; C4-V9 PolarHBondContact O-N 3.43Å; L7-V9 HydrophobicContact CB-CG1 4.25Å; L7-V9 HydrophobicContact CB-CG2 4.34Å; L7-V9 HydrophobicContact CD2-CG1 4.38Å; L7-V9 PolarHBondContact O-N 3.34Å; V9-L11 PolarHBondContact O-N 2.88Å; V9-C14 HydrophobicContact CG2-CB 4.35Å |
| 10 | N | 72.9 | Confident | 70.5 | Confident | 124 Ų | 124 | 104.9 Ų | 104.9 | 66% | 0.663 | 58% | 0.577 | S | S | * | * | | | trans | -41.3 | 127.3 | -178.7 | -96.6 | -80.7 | 0 | 0 | 0 | 111.2 | G8 I12 A13 C14 | G8-N10 PolarHBondContact O-N 2.85Å; N10-I12 PolarHBondContact O-N 3.01Å; N10-A13 WeakPolarHBondContact O-CB 3.3Å; N10-A13 PolarHBondContact O-N 3.02Å; N10-A13 HydrophobicContact CB-CB 4.17Å; N10-C14 PolarHBondContact O-N 3.45Å |
| 11 | L | 73.4 | Confident | 70.2 | Confident | 133 Ų | 133 | 102.8 Ų | 102.8 | 70% | 0.696 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -48.7 | -38.6 | -179 | -117.9 | 78.9 | 0 | 0 | 0 | 111.3 | V9 C14 L15 | V9-L11 PolarHBondContact O-N 2.88Å; L11-C14 PolarHBondContact O-N 3.28Å; L11-L15 WeakPolarHBondContact O-CB 3.08Å; L11-L15 PolarHBondContact O-N 3.34Å |
| 12 | I | 77.1 | Confident | 70 | Confident | 128 Ų | 128 | 100.5 Ų | 100.5 | 66% | 0.656 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.8 | -47.6 | 176.9 | -57.2 | -57 | 0 | 0 | 0 | 112.7 | N10 C14 L15 A16 | N10-I12 PolarHBondContact O-N 3.01Å; I12-C14 PolarHBondContact O-N 2.89Å; I12-L15 PolarHBondContact O-N 3.41Å; I12-A16 WeakPolarHBondContact O-CB 3.44Å; I12-A16 PolarHBondContact O-N 3.15Å |
| 13 | A | 75.8 | Confident | 70.5 | Confident | 59 Ų | 59 | 96.5 Ų | 96.5 | 49% | 0.488 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63 | -35.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N10 A16 W17 | N10-A13 WeakPolarHBondContact O-CB 3.3Å; N10-A13 PolarHBondContact O-N 3.02Å; N10-A13 HydrophobicContact CB-CB 4.17Å; A13-A16 PolarHBondContact O-N 3Å; A13-W17 PolarHBondContact O-N 3.32Å |
| 14 | C | 78.1 | Confident | 71.1 | Confident | 13 Ų | 13 | 94.8 Ų | 94.8 | 9% | 0.088 | 59% | 0.592 | C | S | . | * | H | α-helix | trans | -77.3 | -31.8 | 179.9 | -134.1 | 0 | 0 | 0 | 0 | 113.2 | C4 V9 N10 L11 I12 W18 | C4-C14 WeakPolarHBondContact CA-SG 2.83Å; C4-C14 HydrophobicContact CB-CB 3.33Å; C4-C14 WeakPolarHBondContact CB-SG 3.29Å; C4-C14 WeakPolarHBondContact SG-CB 2.86Å; C4-C14 CovalentContact SG-SG 1.99Å; C4-C14 PolarHBondContact SG-SG 1.99Å; V9-C14 HydrophobicContact CG2-CB 4.35Å; N10-C14 PolarHBondContact O-N 3.45Å; L11-C14 PolarHBondContact O-N 3.28Å; I12-C14 PolarHBondContact O-N 2.89Å; C14-W18 PolarHBondContact O-N 3.43Å; C14-W18 VanDerWaalsContact O-N 3.15Å |
| 15 | L | 75 | Confident | 71.3 | Confident | 105 Ų | 105 | 99.5 Ų | 99.5 | 55% | 0.55 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -68 | -41.3 | 169.6 | -154.9 | 73.6 | 0 | 0 | 0 | 110.6 | L11 I12 W17 W18 I19 | L11-L15 WeakPolarHBondContact O-CB 3.08Å; L11-L15 PolarHBondContact O-N 3.34Å; I12-L15 PolarHBondContact O-N 3.41Å; L15-W17 PolarHBondContact O-N 3.23Å; L15-W17 VanDerWaalsContact C-N 3.31Å; L15-W18 PolarHBondContact O-N 3.39Å; L15-I19 HydrophobicContact CD2-CD1 4.35Å; L15-I19 HydrophobicContact CG-CD1 3.97Å; L15-I19 VanDerWaalsContact O-CG1 3.24Å; L15-I19 WeakPolarHBondContact O-CG1 3.24Å; L15-I19 PolarHBondContact O-N 2.81Å |
| 16 | A | 79.6 | Confident | 71.5 | Confident | 60 Ų | 60 | 100.6 Ų | 100.6 | 50% | 0.496 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -61.4 | -38.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I12 A13 G20 | I12-A16 WeakPolarHBondContact O-CB 3.44Å; I12-A16 PolarHBondContact O-N 3.15Å; A13-A16 PolarHBondContact O-N 3Å; A16-G20 WeakPolarHBondContact O-CA 3.43Å; A16-G20 PolarHBondContact O-N 3.44Å |
| 17 | W | 77.1 | Confident | 72 | Confident | 185 Ų | 185 | 100.3 Ų | 100.3 | 70% | 0.701 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.8 | -47.1 | 172.7 | -168 | -50.4 | 0 | 0 | 0 | 111.7 | A13 L15 I19 G20 G21 G22 | A13-W17 PolarHBondContact O-N 3.32Å; L15-W17 PolarHBondContact O-N 3.23Å; L15-W17 VanDerWaalsContact C-N 3.31Å; W17-I19 VanDerWaalsContact C-N 3.32Å; W17-I19 PolarHBondContact O-N 3.33Å; W17-G20 PolarHBondContact O-N 3.42Å; W17-G21 PolarHBondContact O-N 2.93Å; W17-G22 VanDerWaalsContact NE1-CA 3.27Å; W17-G22 PolarHBondContact O-N 3.27Å |
| 18 | W | 69.9 | Low | 72.4 | Confident | 160 Ų | 160 | 98 Ų | 98 | 61% | 0.606 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.9 | -37.3 | 179.4 | -100.5 | 86.7 | 0 | 0 | 0 | 113.2 | Y3 C14 L15 | Y3-W18 AromaticContact CE2-NE1 3.28Å; Y3-W18 VanDerWaalsContact CE2-NE1 3.28Å; Y3-W18 AromaticContact CZ-NE1 3.58Å; Y3-W18 VanDerWaalsContact OH-CE2 3.28Å; Y3-W18 WeakPolarHBondContact OH-CZ2 3.37Å; Y3-W18 PolarHBondContact OH-NE1 3.25Å; C14-W18 PolarHBondContact O-N 3.43Å; C14-W18 VanDerWaalsContact O-N 3.15Å; L15-W18 PolarHBondContact O-N 3.39Å |
| 19 | I | 75.3 | Confident | 72.8 | Confident | 138 Ų | 138 | 100.3 Ų | 100.3 | 71% | 0.708 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -80.5 | -34.7 | 179 | -60.3 | 166.9 | 0 | 0 | 0 | 111 | L15 W17 G21 | L15-I19 HydrophobicContact CD2-CD1 4.35Å; L15-I19 HydrophobicContact CG-CD1 3.97Å; L15-I19 VanDerWaalsContact O-CG1 3.24Å; L15-I19 WeakPolarHBondContact O-CG1 3.24Å; L15-I19 PolarHBondContact O-N 2.81Å; W17-I19 VanDerWaalsContact C-N 3.32Å; W17-I19 PolarHBondContact O-N 3.33Å; I19-G21 PolarHBondContact O-N 3.22Å |
| 20 | G | 75.9 | Confident | 73.1 | Confident | 64 Ų | 64 | 103.5 Ų | 103.5 | 66% | 0.66 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -75 | -6.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A16 W17 | A16-G20 WeakPolarHBondContact O-CA 3.43Å; A16-G20 PolarHBondContact O-N 3.44Å; W17-G20 PolarHBondContact O-N 3.42Å |
| 21 | G | 65.1 | Low | 73.1 | Confident | 60 Ų | 60 | 101.8 Ų | 101.8 | 62% | 0.619 | 62% | 0.622 | S | S | * | * | | | trans | 73.4 | 93.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | W17 I19 | W17-G21 PolarHBondContact O-N 2.93Å; I19-G21 PolarHBondContact O-N 3.22Å |
| 22 | G | 55.5 | Low | 73.1 | Confident | 116 Ų | 116 | 98.9 Ų | 98.9 | 100% | 1.196 | 62% | 0.615 | S | S | * | * | | | trans | -63.5 | 0 | 157.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | W17 | W17-G22 VanDerWaalsContact NE1-CA 3.27Å; W17-G22 PolarHBondContact O-N 3.27Å |