| 1 | M | 64.5 | Low | 81.9 | Confident | 225 Ų | 225 | 111.8 Ų | 111.8 | 100% | 1.108 | 58% | 0.581 | S | S | * | * | | | | 0 | -46.8 | 0 | -78.6 | -170.7 | 151.8 | 0 | 0 | 113.1 | V3 G4 F5 | M1-V3 PolarHBondContact O-N 2.84Å; M1-G4 PolarHBondContact O-N 3.04Å; M1-F5 PolarHBondContact O-N 2.8Å |
| 2 | I | 80.6 | Confident | 82.2 | Confident | 116 Ų | 116 | 111 Ų | 111 | 60% | 0.595 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -58.7 | -39.8 | -177.2 | -161.7 | 72.2 | 0 | 0 | 0 | 114.5 | G4 F5 F6 | I2-G4 PolarHBondContact O-N 2.98Å; I2-F5 PolarHBondContact O-N 3Å; I2-F6 HydrophobicContact CD1-CE2 3.87Å; I2-F6 HydrophobicContact CG1-CD2 4.02Å; I2-F6 HydrophobicContact CG1-CE2 3.65Å; I2-F6 WeakPolarHBondContact O-CD2 3.11Å; I2-F6 PolarHBondContact O-N 3.02Å |
| 3 | V | 77.7 | Confident | 82.3 | Confident | 107 Ų | 107 | 110.8 Ų | 110.8 | 65% | 0.648 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.1 | -43.2 | -178.7 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | M1 F5 F6 T7 | M1-V3 PolarHBondContact O-N 2.84Å; V3-F5 VanDerWaalsContact C-N 3.32Å; V3-F5 PolarHBondContact O-N 3.31Å; V3-F6 PolarHBondContact O-N 2.74Å; V3-T7 PolarHBondContact O-N 2.9Å; V3-T7 PolarHBondContact O-OG1 3.43Å |
| 4 | G | 82.7 | Confident | 81.7 | Confident | 48 Ų | 48 | 115.1 Ų | 115.1 | 50% | 0.495 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.8 | -33.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1 I2 T7 F8 | M1-G4 PolarHBondContact O-N 3.04Å; I2-G4 PolarHBondContact O-N 2.98Å; G4-T7 PolarHBondContact O-N 3.44Å; G4-F8 WeakPolarHBondContact O-CB 3.04Å; G4-F8 PolarHBondContact O-N 3Å |
| 5 | F | 87 | Confident | 81.2 | Confident | 120 Ų | 120 | 114 Ų | 114 | 53% | 0.526 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.7 | -45.6 | 174.2 | 176.2 | -103.3 | 0 | 0 | 0 | 111.8 | M1 I2 V3 F8 I9 | M1-F5 PolarHBondContact O-N 2.8Å; I2-F5 PolarHBondContact O-N 3Å; V3-F5 VanDerWaalsContact C-N 3.32Å; V3-F5 PolarHBondContact O-N 3.31Å; F5-F8 PolarHBondContact O-N 3.22Å; F5-I9 HydrophobicContact CD1-CD1 4.11Å; F5-I9 HydrophobicContact CD2-CD1 4.4Å; F5-I9 HydrophobicContact CE1-CD1 3.47Å; F5-I9 VanDerWaalsContact CE1-CD1 3.47Å; F5-I9 HydrophobicContact CE2-CD1 3.8Å; F5-I9 HydrophobicContact CE2-CG1 4.46Å; F5-I9 HydrophobicContact CZ-CD1 3.3Å; F5-I9 HydrophobicContact CZ-CG1 4.39Å; F5-I9 WeakPolarHBondContact O-CG1 3.45Å; F5-I9 PolarHBondContact O-N 3.28Å |
| 6 | F | 87.1 | Confident | 80.7 | Confident | 117 Ų | 117 | 113.9 Ų | 113.9 | 51% | 0.513 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.2 | -37.7 | 176.2 | -76.9 | -69.5 | 0 | 0 | 0 | 112.6 | I2 V3 I9 M10 | I2-F6 HydrophobicContact CD1-CE2 3.87Å; I2-F6 HydrophobicContact CG1-CD2 4.02Å; I2-F6 HydrophobicContact CG1-CE2 3.65Å; I2-F6 WeakPolarHBondContact O-CD2 3.11Å; I2-F6 PolarHBondContact O-N 3.02Å; V3-F6 PolarHBondContact O-N 2.74Å; F6-I9 PolarHBondContact O-N 2.94Å; F6-M10 WeakPolarHBondContact O-CG 3.21Å; F6-M10 PolarHBondContact O-N 3.16Å |
| 7 | T | 82.2 | Confident | 80.1 | Confident | 76 Ų | 76 | 113.9 Ų | 113.9 | 47% | 0.466 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.9 | -44.4 | 174.3 | -52.3 | 0 | 0 | 0 | 0 | 111.6 | V3 G4 M10 L11 | V3-T7 PolarHBondContact O-N 2.9Å; V3-T7 PolarHBondContact O-OG1 3.43Å; G4-T7 PolarHBondContact O-N 3.44Å; T7-M10 PolarHBondContact O-N 3.38Å; T7-L11 HydrophobicContact CG2-CD1 4.05Å; T7-L11 VanDerWaalsContact O-CG 3.32Å; T7-L11 WeakPolarHBondContact O-CG 3.23Å; T7-L11 PolarHBondContact O-N 3.42Å; T7-L11 VanDerWaalsContact O-N 3.07Å |
| 8 | F | 87.9 | Confident | 78.9 | Confident | 137 Ų | 137 | 110.2 Ų | 110.2 | 60% | 0.601 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.6 | -47.3 | 177.2 | 177.5 | -98.3 | 0 | 0 | 0 | 111.7 | G4 F5 M10 L11 F12 | G4-F8 WeakPolarHBondContact O-CB 3.04Å; G4-F8 PolarHBondContact O-N 3Å; F5-F8 PolarHBondContact O-N 3.22Å; F8-M10 PolarHBondContact O-N 2.69Å; F8-L11 PolarHBondContact O-N 2.7Å; F8-F12 WeakPolarHBondContact O-CB 3.29Å; F8-F12 PolarHBondContact O-N 3.07Å |
| 9 | I | 87.5 | Confident | 77.8 | Confident | 53 Ų | 53 | 113 Ų | 113 | 27% | 0.272 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60.3 | -43.6 | 178.1 | -77.8 | -174.5 | 0 | 0 | 0 | 111.7 | F5 F6 L11 F12 F13 | F5-I9 HydrophobicContact CD1-CD1 4.11Å; F5-I9 HydrophobicContact CD2-CD1 4.4Å; F5-I9 HydrophobicContact CE1-CD1 3.47Å; F5-I9 VanDerWaalsContact CE1-CD1 3.47Å; F5-I9 HydrophobicContact CE2-CD1 3.8Å; F5-I9 HydrophobicContact CE2-CG1 4.46Å; F5-I9 HydrophobicContact CZ-CD1 3.3Å; F5-I9 HydrophobicContact CZ-CG1 4.39Å; F5-I9 WeakPolarHBondContact O-CG1 3.45Å; F5-I9 PolarHBondContact O-N 3.28Å; F6-I9 PolarHBondContact O-N 2.94Å; I9-L11 PolarHBondContact O-N 3.11Å; I9-F12 PolarHBondContact O-N 3.21Å; I9-F13 HydrophobicContact CG2-CD2 3.68Å; I9-F13 HydrophobicContact CG2-CE2 3.65Å; I9-F13 WeakPolarHBondContact O-CD2 3.25Å; I9-F13 PolarHBondContact O-N 3.36Å |
| 10 | M | 82.6 | Confident | 76.8 | Confident | 132 Ų | 132 | 113.7 Ų | 113.7 | 65% | 0.65 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.8 | -40.6 | 177.3 | -75.7 | -147.9 | -174.5 | 0 | 0 | 112.8 | F6 T7 F8 R14 | F6-M10 WeakPolarHBondContact O-CG 3.21Å; F6-M10 PolarHBondContact O-N 3.16Å; T7-M10 PolarHBondContact O-N 3.38Å; F8-M10 PolarHBondContact O-N 2.69Å; M10-R14 WeakPolarHBondContact O-CB 3.36Å; M10-R14 WeakPolarHBondContact O-CG 3.32Å; M10-R14 PolarHBondContact O-N 3.34Å |
| 11 | L | 81.4 | Confident | 76.1 | Confident | 99 Ų | 99 | 112.9 Ų | 112.9 | 52% | 0.518 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70 | -38 | 178.2 | -68.5 | 171.2 | 0 | 0 | 0 | 111.9 | T7 F8 I9 R14 S15 | T7-L11 HydrophobicContact CG2-CD1 4.05Å; T7-L11 VanDerWaalsContact O-CG 3.32Å; T7-L11 WeakPolarHBondContact O-CG 3.23Å; T7-L11 PolarHBondContact O-N 3.42Å; T7-L11 VanDerWaalsContact O-N 3.07Å; F8-L11 PolarHBondContact O-N 2.7Å; I9-L11 PolarHBondContact O-N 3.11Å; L11-R14 PolarHBondContact O-N 2.99Å; L11-S15 PolarHBondContact O-N 2.96Å |
| 12 | F | 84.9 | Confident | 75.5 | Confident | 102 Ų | 102 | 108.4 Ų | 108.4 | 45% | 0.447 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -59.4 | -51 | 174.9 | 175.8 | -103 | 0 | 0 | 0 | 111.7 | F8 I9 R14 S15 L16 | F8-F12 WeakPolarHBondContact O-CB 3.29Å; F8-F12 PolarHBondContact O-N 3.07Å; I9-F12 PolarHBondContact O-N 3.21Å; F12-R14 PolarHBondContact O-N 2.75Å; F12-S15 WeakPolarHBondContact O-CB 3.48Å; F12-S15 PolarHBondContact O-N 3.08Å; F12-L16 HydrophobicContact CD1-CD1 3.98Å; F12-L16 HydrophobicContact CE1-CD1 3.44Å; F12-L16 VanDerWaalsContact CE1-CD1 3.44Å; F12-L16 HydrophobicContact CE1-CG 4.45Å; F12-L16 HydrophobicContact CE2-CD1 4.35Å; F12-L16 HydrophobicContact CZ-CD1 3.66Å; F12-L16 HydrophobicContact CZ-CG 4.4Å; F12-L16 PolarHBondContact O-N 3.5Å; F12-L16 VanDerWaalsContact O-N 3.08Å |
| 13 | F | 84.4 | Confident | 74.3 | Confident | 109 Ų | 109 | 108.1 Ų | 108.1 | 48% | 0.478 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -68.5 | -34.5 | 178 | -73.7 | -64.6 | 0 | 0 | 0 | 112.9 | I9 S15 L16 L17 | I9-F13 HydrophobicContact CG2-CD2 3.68Å; I9-F13 HydrophobicContact CG2-CE2 3.65Å; I9-F13 WeakPolarHBondContact O-CD2 3.25Å; I9-F13 PolarHBondContact O-N 3.36Å; F13-S15 VanDerWaalsContact C-N 3.29Å; F13-S15 PolarHBondContact O-N 3.25Å; F13-L16 HydrophobicContact CD1-CD1 4.08Å; F13-L16 HydrophobicContact CE1-CD1 4.39Å; F13-L16 PolarHBondContact O-N 3.35Å; F13-L17 HydrophobicContact CB-CD1 4.47Å; F13-L17 WeakPolarHBondContact O-CB 3.22Å; F13-L17 WeakPolarHBondContact O-CD1 3.2Å; F13-L17 WeakPolarHBondContact O-CG 3.39Å; F13-L17 PolarHBondContact O-N 3.36Å |
| 14 | R | 73.6 | Confident | 73.1 | Confident | 170 Ų | 170 | 109.9 Ų | 109.9 | 64% | 0.642 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.6 | -36.7 | 172.1 | -77.3 | 170.7 | 99.8 | -175.1 | 7.2 | 112.5 | M10 L11 F12 | M10-R14 WeakPolarHBondContact O-CB 3.36Å; M10-R14 WeakPolarHBondContact O-CG 3.32Å; M10-R14 PolarHBondContact O-N 3.34Å; L11-R14 PolarHBondContact O-N 2.99Å; F12-R14 PolarHBondContact O-N 2.75Å |
| 15 | S | 73.4 | Confident | 72 | Confident | 99 Ų | 99 | 118 Ų | 118 | 69% | 0.692 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -69.9 | -37.1 | 175.6 | -169.5 | 0 | 0 | 0 | 0 | 112.4 | L11 F12 F13 | L11-S15 PolarHBondContact O-N 2.96Å; F12-S15 WeakPolarHBondContact O-CB 3.48Å; F12-S15 PolarHBondContact O-N 3.08Å; F13-S15 VanDerWaalsContact C-N 3.29Å; F13-S15 PolarHBondContact O-N 3.25Å |
| 16 | L | 73.9 | Confident | 70.2 | Confident | 113 Ų | 113 | 116.5 Ų | 116.5 | 59% | 0.592 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -70.7 | -38.2 | 177.2 | -72.6 | 174.6 | 0 | 0 | 0 | 112.7 | F12 F13 G18 | F12-L16 HydrophobicContact CD1-CD1 3.98Å; F12-L16 HydrophobicContact CE1-CD1 3.44Å; F12-L16 VanDerWaalsContact CE1-CD1 3.44Å; F12-L16 HydrophobicContact CE1-CG 4.45Å; F12-L16 HydrophobicContact CE2-CD1 4.35Å; F12-L16 HydrophobicContact CZ-CD1 3.66Å; F12-L16 HydrophobicContact CZ-CG 4.4Å; F12-L16 PolarHBondContact O-N 3.5Å; F12-L16 VanDerWaalsContact O-N 3.08Å; F13-L16 HydrophobicContact CD1-CD1 4.08Å; F13-L16 HydrophobicContact CE1-CD1 4.39Å; F13-L16 PolarHBondContact O-N 3.35Å; L16-G18 PolarHBondContact O-N 3.43Å |
| 17 | L | 69.6 | Low | 68.7 | Low | 113 Ų | 113 | 115.7 Ų | 115.7 | 59% | 0.592 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -1.8 | -177.2 | -72.5 | 156.4 | 0 | 0 | 0 | 113.2 | F13 F19 | F13-L17 HydrophobicContact CB-CD1 4.47Å; F13-L17 WeakPolarHBondContact O-CB 3.22Å; F13-L17 WeakPolarHBondContact O-CD1 3.2Å; F13-L17 WeakPolarHBondContact O-CG 3.39Å; F13-L17 PolarHBondContact O-N 3.36Å; L17-F19 HydrophobicContact CB-CD2 3.56Å; L17-F19 HydrophobicContact CB-CE2 3.55Å; L17-F19 HydrophobicContact CD1-CE2 3.99Å; L17-F19 HydrophobicContact CG-CE2 4.23Å; L17-F19 PolarHBondContact O-N 2.99Å; L17-F19 VanDerWaalsContact O-N 3.08Å |
| 18 | G | 59.6 | Low | 67.3 | Low | 48 Ų | 48 | 117.9 Ų | 117.9 | 50% | 0.495 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 53.1 | 37.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L16 T20 | L16-G18 PolarHBondContact O-N 3.43Å; G18-T20 PolarHBondContact O-N 3.01Å; G18-T20 PolarHBondContact O-OG1 3.39Å |
| 19 | F | 56.7 | Low | 65.6 | Low | 163 Ų | 163 | 114.9 Ų | 114.9 | 72% | 0.715 | 62% | 0.619 | S | S | * | * | | | trans | -71.8 | 53.7 | 173.2 | -75.5 | -72.8 | 0 | 0 | 0 | 110.6 | L17 S21 | L17-F19 HydrophobicContact CB-CD2 3.56Å; L17-F19 HydrophobicContact CB-CE2 3.55Å; L17-F19 HydrophobicContact CD1-CE2 3.99Å; L17-F19 HydrophobicContact CG-CE2 4.23Å; L17-F19 PolarHBondContact O-N 2.99Å; L17-F19 VanDerWaalsContact O-N 3.08Å; F19-S21 PolarHBondContact O-N 3.29Å |
| 20 | T | 58.5 | Low | 63.8 | Low | 127 Ų | 127 | 119.5 Ų | 119.5 | 78% | 0.779 | 64% | 0.64 | S | S | * | * | | | trans | -63.3 | 122.3 | 150.4 | 31.5 | 0 | 0 | 0 | 0 | 106.6 | G18 | G18-T20 PolarHBondContact O-N 3.01Å; G18-T20 PolarHBondContact O-OG1 3.39Å |
| 21 | S | 61.8 | Low | 62.4 | Low | 97 Ų | 97 | 117.8 Ų | 117.8 | 68% | 0.678 | 63% | 0.633 | S | S | * | * | | | trans | -31.6 | 137.8 | -179 | -52.4 | 0 | 0 | 0 | 0 | 112.9 | F19 T23 | F19-S21 PolarHBondContact O-N 3.29Å; S21-T23 VanDerWaalsContact C-N 3.28Å; S21-T23 PolarHBondContact O-N 3.41Å |
| 22 | P | 51.6 | Low | 60.8 | Low | 131 Ų | 131 | 121.9 Ų | 121.9 | 85% | 0.851 | 64% | 0.643 | S | S | * | * | | | trans | -61.4 | 93.4 | 178.7 | 24.8 | -32 | 0 | 0 | 0 | 109.2 | N24 | P22-N24 PolarHBondContact O-N 2.92Å; P22-N24 VanDerWaalsContact O-N 3.07Å |
| 23 | T | 56.6 | Low | 59.2 | Low | 110 Ų | 110 | 127.8 Ų | 127.8 | 68% | 0.675 | 66% | 0.663 | S | S | * | * | | | trans | -68.9 | 105.4 | 161.1 | -61.2 | 0 | 0 | 0 | 0 | 103.6 | S21 R25 | S21-T23 VanDerWaalsContact C-N 3.28Å; S21-T23 PolarHBondContact O-N 3.41Å; T23-R25 HydrophobicContact CG2-CG 4.27Å; T23-R25 PolarHBondContact O-N 3.47Å |
| 24 | N | 53.2 | Low | 57.6 | Low | 144 Ų | 144 | 125.3 Ų | 125.3 | 77% | 0.77 | 65% | 0.654 | S | S | * | * | | | trans | -59.5 | 85.5 | 177.5 | -169.1 | -19.9 | 0 | 0 | 0 | 108.4 | P22 N26 | P22-N24 PolarHBondContact O-N 2.92Å; P22-N24 VanDerWaalsContact O-N 3.07Å; N24-N26 PolarHBondContact O-N 2.87Å |
| 25 | R | 58.1 | Low | 56.6 | Low | 219 Ų | 219 | 123.2 Ų | 123.2 | 83% | 0.826 | 66% | 0.655 | S | S | * | * | | | trans | -79.1 | 71.5 | 175 | -69.8 | -172.7 | -176.2 | 177.5 | 1.9 | 107.2 | T23 S27 | T23-R25 HydrophobicContact CG2-CG 4.27Å; T23-R25 PolarHBondContact O-N 3.47Å; R25-S27 PolarHBondContact O-N 3.43Å; R25-S27 VanDerWaalsContact O-N 3.16Å |
| 26 | N | 50.8 | Low | 55.6 | Low | 88 Ų | 88 | 124.7 Ų | 124.7 | 47% | 0.471 | 66% | 0.659 | S | S | . | * | | | trans | -75.3 | 96.9 | 167.8 | -177.8 | -0.4 | 0 | 0 | 0 | 108.4 | N24 N28 | N24-N26 PolarHBondContact O-N 2.87Å; N26-N28 PolarHBondContact O-N 3.26Å; N26-N28 VanDerWaalsContact O-N 3.11Å; N26-N28 WeakPolarHBondContact OD1-CB 3.49Å; N26-N28 PolarHBondContact OD1-N 3.41Å |
| 27 | S | 53.9 | Low | 54.6 | Low | 99 Ų | 99 | 130.4 Ų | 130.4 | 69% | 0.692 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -6 | 176.8 | -44.6 | 0 | 0 | 0 | 0 | 114 | R25 | R25-S27 PolarHBondContact O-N 3.43Å; R25-S27 VanDerWaalsContact O-N 3.16Å |
| 28 | N | 53.8 | Low | 53.6 | Low | 122 Ų | 122 | 127.9 Ų | 127.9 | 65% | 0.652 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 4.7 | -169.1 | -159.5 | 10.8 | 0 | 0 | 0 | 114.4 | N26 | N26-N28 PolarHBondContact O-N 3.26Å; N26-N28 VanDerWaalsContact O-N 3.11Å; N26-N28 WeakPolarHBondContact OD1-CB 3.49Å; N26-N28 PolarHBondContact OD1-N 3.41Å |
| 29 | S | 50.8 | Low | 53.2 | Low | 74 Ų | 74 | 129 Ų | 129 | 52% | 0.517 | 69% | 0.686 | S | S | . | * | S | Bend | trans | -112.5 | -5.9 | -174.3 | 62.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 30 | Q | 50.7 | Low | 52.6 | Low | 150 Ų | 150 | 124.4 Ų | 124.4 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -103.7 | -22.7 | -176.7 | -71.7 | -87.1 | -65.9 | 0 | 0 | 113.6 | | |
| 31 | D | 52.2 | Low | 52.2 | Low | 97 Ų | 97 | 123.3 Ų | 123.3 | 52% | 0.519 | 68% | 0.677 | S | S | . | * | S | Bend | trans | -84.4 | -33.3 | -169.3 | -64.4 | -44.3 | 0 | 0 | 0 | 114.1 | R33 N34 I35 | D31-R33 PolarHBondContact O-N 3.07Å; D31-N34 PolarHBondContact O-N 3.06Å; D31-I35 HydrophobicContact CB-CD1 4.49Å; D31-I35 WeakPolarHBondContact O-CD1 3.32Å; D31-I35 VanDerWaalsContact O-CG1 3.23Å; D31-I35 WeakPolarHBondContact O-CG1 3.38Å; D31-I35 PolarHBondContact O-N 3.49Å |
| 32 | Y | 48.8 | Very low | 51.6 | Low | 184 Ų | 184 | 126.2 Ų | 126.2 | 72% | 0.722 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -25.9 | -172.4 | -95 | -84.1 | 0 | 0 | 0 | 115.4 | | |
| 33 | R | 51.3 | Low | 51.3 | Low | 227 Ų | 227 | 124 Ų | 124 | 86% | 0.857 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -16.8 | 177.7 | -65.9 | -171.7 | -174 | -174.2 | 2.9 | 112.9 | D31 | D31-R33 PolarHBondContact O-N 3.07Š|
| 34 | N | 51.3 | Low | 51.2 | Low | 57 Ų | 57 | 123.3 Ų | 123.3 | 31% | 0.305 | 69% | 0.691 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.7 | -14.9 | -175.5 | -142 | 76.3 | 0 | 0 | 0 | 113.5 | D31 V41 | D31-N34 PolarHBondContact O-N 3.06Å; N34-V41 VanDerWaalsContact CG-CG1 3.43Å; N34-V41 WeakPolarHBondContact ND2-CG1 3.19Å; N34-V41 VanDerWaalsContact OD1-CG1 3.29Å; N34-V41 WeakPolarHBondContact OD1-CG1 3.44Å |
| 35 | I | 52.7 | Low | 51 | Low | 126 Ų | 126 | 120.4 Ų | 120.4 | 65% | 0.646 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -81.1 | -28.9 | 179.4 | -66.7 | 161 | 0 | 0 | 0 | 112.1 | D31 | D31-I35 HydrophobicContact CB-CD1 4.49Å; D31-I35 WeakPolarHBondContact O-CD1 3.32Å; D31-I35 VanDerWaalsContact O-CG1 3.23Å; D31-I35 WeakPolarHBondContact O-CG1 3.38Å; D31-I35 PolarHBondContact O-N 3.49Å |
| 36 | V | 52.6 | Low | 50.6 | Low | 130 Ų | 130 | 114.2 Ų | 114.2 | 79% | 0.788 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -92.2 | -10.5 | -173.4 | -172.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 37 | R | 52.8 | Low | 50.7 | Low | 233 Ų | 233 | 113.9 Ų | 113.9 | 88% | 0.879 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -129.5 | 37.3 | -176.7 | -152.7 | 175.6 | -78 | -146.1 | -2.5 | 115.2 | | |
| 38 | G | 48.9 | Very low | 50.1 | Low | 59 Ų | 59 | 112.5 Ų | 112.5 | 61% | 0.608 | 72% | 0.719 | S | S | * | * | | | trans | 97.2 | 109.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 39 | G | 51 | Low | 50.1 | Low | 73 Ų | 73 | 113.4 Ų | 113.4 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -58.2 | 158.1 | -171 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 40 | G | 43.5 | Very low | 49.9 | Very low | 65 Ų | 65 | 113.9 Ų | 113.9 | 67% | 0.67 | 73% | 0.732 | S | S | * | * | | | trans | 98.6 | 75.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | N42 | G40-N42 VanDerWaalsContact C-N 3.26Å; G40-N42 PolarHBondContact O-N 3.08Å |
| 41 | V | 49.8 | Very low | 49.7 | Very low | 105 Ų | 105 | 116.3 Ų | 116.3 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | | | trans | -69.6 | 79.1 | 167.1 | -87.2 | 0 | 0 | 0 | 0 | 111.3 | N34 | N34-V41 VanDerWaalsContact CG-CG1 3.43Å; N34-V41 WeakPolarHBondContact ND2-CG1 3.19Å; N34-V41 VanDerWaalsContact OD1-CG1 3.29Å; N34-V41 WeakPolarHBondContact OD1-CG1 3.44Å |
| 42 | N | 49 | Very low | 49.3 | Very low | 157 Ų | 157 | 123.1 Ų | 123.1 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | | | trans | -86.7 | 98.9 | 139.5 | -77.2 | -54.7 | 0 | 0 | 0 | 105.6 | G40 A44 | G40-N42 VanDerWaalsContact C-N 3.26Å; G40-N42 PolarHBondContact O-N 3.08Å; N42-A44 PolarHBondContact O-N 3.23Å |
| 43 | G | 46.3 | Very low | 49.3 | Very low | 84 Ų | 84 | 124.9 Ų | 124.9 | 87% | 0.866 | 76% | 0.76 | S | S | * | * | | | trans | -61.8 | 80 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 44 | A | 53 | Low | 49.1 | Very low | 96 Ų | 96 | 122.2 Ų | 122.2 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | | | trans | -92.9 | 113.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | N42 | N42-A44 PolarHBondContact O-N 3.23Š|
| 45 | G | 50.5 | Low | 48.5 | Very low | 83 Ų | 83 | 123.1 Ų | 123.1 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | | | trans | 94.6 | 110 | 159.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 46 | G | 49.9 | Very low | 48 | Very low | 89 Ų | 89 | 121 Ų | 121 | 92% | 0.918 | 79% | 0.794 | S | S | * | * | | | trans | -162.9 | 32.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 47 | G | 50.9 | Low | 47.5 | Very low | 81 Ų | 81 | 118.9 Ų | 118.9 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -167.5 | 92.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 48 | G | 43.3 | Very low | 47.1 | Very low | 71 Ų | 71 | 112 Ų | 112 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | | | trans | 166.2 | 76.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A50 | G48-A50 PolarHBondContact O-N 3.4Š|
| 49 | N | 52.1 | Low | 47 | Very low | 141 Ų | 141 | 113 Ų | 113 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | | | trans | -44.9 | 106.8 | 164.2 | -148.5 | 10.2 | 0 | 0 | 0 | 110.4 | Y51 | N49-Y51 WeakPolarHBondContact OD1-CD2 3.34Å; N49-Y51 WeakPolarHBondContact OD1-CE2 3.36Å |
| 50 | A | 47 | Very low | 46.9 | Very low | 83 Ų | 83 | 113.2 Ų | 113.2 | 69% | 0.686 | 81% | 0.813 | S | S | * | * | | | trans | -139.9 | 59.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | G48 R52 | G48-A50 PolarHBondContact O-N 3.4Å; A50-R52 PolarHBondContact O-N 2.98Å |
| 51 | Y | 46.1 | Very low | 47.2 | Very low | 202 Ų | 202 | 113.9 Ų | 113.9 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | | | trans | -61.8 | 39.8 | 147.9 | -56.1 | -85.1 | 0 | 0 | 0 | 111.4 | N49 R53 | N49-Y51 WeakPolarHBondContact OD1-CD2 3.34Å; N49-Y51 WeakPolarHBondContact OD1-CE2 3.36Å; Y51-R53 PolarHBondContact O-N 3.39Å |
| 52 | R | 45.3 | Very low | 47.4 | Very low | 240 Ų | 240 | 112 Ų | 112 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | | | trans | -79.8 | 78.5 | 163.6 | -118.3 | -169.4 | -166.7 | -131.4 | 5.5 | 106.8 | A50 | A50-R52 PolarHBondContact O-N 2.98Š|
| 53 | R | 47.9 | Very low | 47.7 | Very low | 221 Ų | 221 | 115.7 Ų | 115.7 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | | | trans | -48.5 | 139.3 | 159.6 | -68.7 | 177 | -169.7 | -131.7 | -1 | 109.2 | Y51 | Y51-R53 PolarHBondContact O-N 3.39Š|
| 54 | N | 48.3 | Very low | 48.3 | Very low | 171 Ų | 171 | 120 Ų | 120 | 91% | 0.914 | 83% | 0.827 | S | S | * | * | | | trans | 62.5 | 105.5 | 139.7 | -146.3 | -4.3 | 0 | 0 | 0 | 117.6 | | |
| 55 | G | 37.9 | Very low | 48.4 | Very low | 76 Ų | 76 | 122.4 Ų | 122.4 | 78% | 0.784 | 83% | 0.825 | S | S | * | * | | | trans | 155.4 | 88.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 56 | G | 41.3 | Very low | 48.7 | Very low | 80 Ų | 80 | 122.1 Ų | 122.1 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | | | trans | 98.4 | 111.9 | 142.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 57 | G | 42.3 | Very low | 49.1 | Very low | 86 Ų | 86 | 121 Ų | 121 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | | | trans | 76.7 | 107.4 | 151.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 58 | G | 45.5 | Very low | 49.3 | Very low | 89 Ų | 89 | 123.5 Ų | 123.5 | 92% | 0.918 | 80% | 0.804 | S | S | * | * | | | cis | 109 | 109.4 | 46.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 59 | G | 45.9 | Very low | 50 | Low | 81 Ų | 81 | 126.5 Ų | 126.5 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | | | trans | 123.5 | 74.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 60 | G | 48.5 | Very low | 50.1 | Low | 77 Ų | 77 | 125.4 Ų | 125.4 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | | 90.7 | 88.4 | 90.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 61 | G | 51.3 | Low | 50.4 | Low | 78 Ų | 78 | 126.7 Ų | 126.7 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | | 72.9 | 73.3 | 73.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 62 | G | 52.9 | Low | 50.6 | Low | 66 Ų | 66 | 123 Ų | 123 | 68% | 0.68 | 82% | 0.817 | S | S | * | * | | | trans | 36.9 | 122.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 63 | R | 55.6 | Low | 50.8 | Low | 234 Ų | 234 | 114.9 Ų | 114.9 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | | | | -170.1 | 113.2 | 128.4 | -101.5 | 166.4 | -76 | -175.3 | 0.6 | 109.5 | I65 | R63-I65 PolarHBondContact O-N 3.48Š|
| 64 | N | 57.9 | Low | 51.2 | Low | 175 Ų | 175 | 111 Ų | 111 | 94% | 0.936 | 81% | 0.808 | S | S | * | * | | | trans | -61 | 96.5 | 169.8 | -60.3 | -57.9 | 0 | 0 | 0 | 109.5 | G66 | N64-G66 PolarHBondContact O-N 3.42Š|
| 65 | I | 55.5 | Low | 51.7 | Low | 146 Ų | 146 | 107 Ų | 107 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | | | trans | -88 | 71.1 | 160.6 | -53.2 | 175.3 | 0 | 0 | 0 | 106.4 | R63 G67 | R63-I65 PolarHBondContact O-N 3.48Å; I65-G67 PolarHBondContact O-N 3.25Å |
| 66 | G | 57.3 | Low | 52.8 | Low | 77 Ų | 77 | 108.6 Ų | 108.6 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | | | trans | -66 | 112.7 | 157 | 0 | 0 | 0 | 0 | 0 | 107.3 | N64 | N64-G66 PolarHBondContact O-N 3.42Š|
| 67 | G | 58.4 | Low | 53.9 | Low | 65 Ų | 65 | 110 Ų | 110 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 116.3 | 48.9 | 156.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | I65 | I65-G67 PolarHBondContact O-N 3.25Š|
| 68 | L | 56 | Low | 54.8 | Low | 135 Ų | 135 | 112.1 Ų | 112.1 | 71% | 0.707 | 79% | 0.788 | S | S | * | * | | | trans | -148.2 | 135.2 | 146.7 | -82.5 | 116.6 | 0 | 0 | 0 | 110.7 | T70 | L68-T70 HydrophobicContact CB-CG2 4.42Å; L68-T70 PolarHBondContact O-N 3Å |
| 69 | P | 57 | Low | 55.2 | Low | 133 Ų | 133 | 117.3 Ų | 117.3 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | | | trans | -83.2 | 99.1 | 171.7 | 32.4 | -27 | 0 | 0 | 0 | 108.3 | | |
| 70 | T | 55.1 | Low | 55.4 | Low | 119 Ų | 119 | 117.1 Ų | 117.1 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | | | trans | -100.4 | 111.9 | 178.6 | 42.5 | 0 | 0 | 0 | 0 | 111.1 | L68 | L68-T70 HydrophobicContact CB-CG2 4.42Å; L68-T70 PolarHBondContact O-N 3Å |
| 71 | S | 51.3 | Low | 55.2 | Low | 110 Ų | 110 | 117 Ų | 117 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | 86.2 | 94.5 | 167.6 | 73.9 | 0 | 0 | 0 | 0 | 117.7 | | |
| 72 | S | 51 | Low | 55.1 | Low | 125 Ų | 125 | 116.8 Ų | 116.8 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | | | trans | -34.1 | 127.3 | 131.8 | 51 | 0 | 0 | 0 | 0 | 112.2 | | |
| 73 | G | 48.9 | Very low | 54.9 | Low | 68 Ų | 68 | 119.4 Ų | 119.4 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | | | trans | 170.4 | 86.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | A75 | G73-A75 PolarHBondContact O-N 3.03Š|
| 74 | V | 58.1 | Low | 54.7 | Low | 140 Ų | 140 | 114.1 Ų | 114.1 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | | | trans | -36.8 | 109.8 | 165 | 176.3 | 0 | 0 | 0 | 0 | 109.5 | P76 | V74-P76 WeakPolarHBondContact O-CD 3.39Š|
| 75 | A | 56.8 | Low | 54 | Low | 87 Ų | 87 | 109.9 Ų | 109.9 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 121 | 166.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | G73 | G73-A75 PolarHBondContact O-N 3.03Š|
| 76 | P | 61.2 | Low | 53.5 | Low | 110 Ų | 110 | 106.8 Ų | 106.8 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -59 | 142.8 | 176.7 | 24.5 | -32.1 | 0 | 0 | 0 | 109.1 | V74 | V74-P76 WeakPolarHBondContact O-CD 3.39Š|
| 77 | P | 65.6 | Low | 53 | Low | 109 Ų | 109 | 106.8 Ų | 106.8 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 144.7 | -179.2 | 24 | -33.3 | 0 | 0 | 0 | 110 | M79 | P77-M79 PolarHBondContact O-N 2.95Š|
| 78 | P | 60.5 | Low | 52.4 | Low | 130 Ų | 130 | 107.5 Ų | 107.5 | 84% | 0.844 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 116.4 | -179 | 24 | -32.4 | 0 | 0 | 0 | 109.2 | G80 | P78-G80 PolarHBondContact O-N 3.3Š|
| 79 | M | 54.6 | Low | 52 | Low | 198 Ų | 198 | 107.5 Ų | 107.5 | 98% | 0.975 | 81% | 0.808 | S | S | * | * | | | trans | -68.7 | 83.9 | 167.2 | -75.7 | -173.1 | 137.9 | 0 | 0 | 108.4 | P77 | P77-M79 PolarHBondContact O-N 2.95Š|
| 80 | G | 50.5 | Low | 51.2 | Low | 78 Ų | 78 | 108.5 Ų | 108.5 | 80% | 0.804 | 84% | 0.843 | S | S | * | * | | | trans | -78.8 | 112.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | P78 | P78-G80 PolarHBondContact O-N 3.3Š|
| 81 | G | 43.9 | Very low | 51 | Low | 75 Ų | 75 | 108 Ų | 108 | 77% | 0.773 | 85% | 0.848 | S | S | * | * | | | trans | 167.1 | 101.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 82 | G | 48.8 | Very low | 50.9 | Low | 73 Ų | 73 | 107.9 Ų | 107.9 | 75% | 0.753 | 85% | 0.853 | S | S | * | * | | | trans | -77.6 | -161.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 83 | C | 49.4 | Very low | 50.9 | Low | 121 Ų | 121 | 106.9 Ų | 106.9 | 82% | 0.818 | 85% | 0.851 | S | S | * | * | | | trans | 93.2 | 128.4 | 178.7 | 99.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 84 | C | 51.2 | Low | 51.1 | Low | 123 Ų | 123 | 109.2 Ų | 109.2 | 83% | 0.831 | 86% | 0.86 | S | S | * | * | | | trans | 98.9 | 101.2 | 174.5 | -51.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 85 | G | 43.5 | Very low | 50.6 | Low | 85 Ų | 85 | 107.3 Ų | 107.3 | 88% | 0.876 | 86% | 0.861 | S | S | * | * | | | trans | 69.1 | 119.9 | 144.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 86 | G | 45 | Very low | 50.2 | Low | 82 Ų | 82 | 108.7 Ų | 108.7 | 85% | 0.845 | 87% | 0.87 | S | S | * | * | | | cis | 121.8 | 139.2 | 43.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 87 | G | 45.2 | Very low | 49.4 | Very low | 76 Ų | 76 | 108.6 Ų | 108.6 | 78% | 0.784 | 88% | 0.882 | S | S | * | * | | | trans | 92.4 | 96.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 88 | G | 46.1 | Very low | 48.2 | Very low | 80 Ų | 80 | 108.5 Ų | 108.5 | 83% | 0.825 | 90% | 0.895 | S | S | * | * | | | trans | -69.9 | 141.4 | 152.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 89 | C | 48.5 | Very low | 47.2 | Very low | 136 Ų | 136 | 106.8 Ų | 106.8 | 92% | 0.919 | 90% | 0.899 | S | S | * | * | | | trans | -178.8 | 143.3 | 152.7 | 32.8 | 0 | 0 | 0 | 0 | 109 | | |
| 90 | G | 39.1 | Very low | 46.5 | Very low | 154 Ų | 154 | 98.5 Ų | 98.5 | 100% | 1.588 | 89% | 0.892 | S | S | * | * | | | trans | 136.9 | 0 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |