| 1 | M | 75.5 | Confident | 88.5 | Confident | 193 Ų | 193 | 116 Ų | 116 | 95% | 0.951 | 59% | 0.593 | S | S | * | * | | | | 0 | -58.2 | 0 | -75.1 | -169.3 | 76.3 | 0 | 0 | 113.7 | Q3 V4 I5 | M1-Q3 VanDerWaalsContact C-N 3.34Å; M1-Q3 PolarHBondContact O-N 3.44Å; M1-Q3 VanDerWaalsContact O-N 3.09Å; M1-V4 WeakPolarHBondContact O-CB 3.34Å; M1-V4 PolarHBondContact O-N 3.04Å; M1-I5 PolarHBondContact O-N 3.32Å |
| 2 | L | 86 | Confident | 88.8 | Confident | 143 Ų | 143 | 112.9 Ų | 112.9 | 75% | 0.749 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -47.1 | -45.6 | -166.6 | -169.1 | 66.4 | 0 | 0 | 0 | 115.8 | V4 I5 L6 | L2-V4 VanDerWaalsContact C-N 3.3Å; L2-V4 PolarHBondContact O-N 3.09Å; L2-I5 PolarHBondContact O-N 2.98Å; L2-L6 PolarHBondContact O-N 3.01Å |
| 3 | Q | 86.6 | Confident | 89.1 | Confident | 163 Ų | 163 | 113.2 Ų | 113.2 | 76% | 0.762 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -58.6 | -36.8 | 176.8 | -73 | 174.1 | -28.7 | 0 | 0 | 113.7 | M1 L6 I7 | M1-Q3 VanDerWaalsContact C-N 3.34Å; M1-Q3 PolarHBondContact O-N 3.44Å; M1-Q3 VanDerWaalsContact O-N 3.09Å; Q3-L6 PolarHBondContact O-N 3.38Å; Q3-I7 WeakPolarHBondContact O-CD1 3.26Å; Q3-I7 VanDerWaalsContact O-CG1 3.26Å; Q3-I7 WeakPolarHBondContact O-CG1 3.47Å; Q3-I7 PolarHBondContact O-N 2.72Å |
| 4 | V | 86.2 | Confident | 89.3 | Confident | 92 Ų | 92 | 109.6 Ų | 109.6 | 56% | 0.558 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.2 | -39.7 | 178.6 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | M1 L2 I7 L8 | M1-V4 WeakPolarHBondContact O-CB 3.34Å; M1-V4 PolarHBondContact O-N 3.04Å; L2-V4 VanDerWaalsContact C-N 3.3Å; L2-V4 PolarHBondContact O-N 3.09Å; V4-I7 PolarHBondContact O-N 3.43Å; V4-L8 HydrophobicContact CG1-CD1 4.21Å; V4-L8 WeakPolarHBondContact O-CB 3.48Å; V4-L8 WeakPolarHBondContact O-CG 3.39Å; V4-L8 PolarHBondContact O-N 3.19Å |
| 5 | I | 91 | Very high | 89.5 | Confident | 76 Ų | 76 | 109.4 Ų | 109.4 | 39% | 0.39 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.4 | -44 | 175.7 | -59.5 | 173.1 | 0 | 0 | 0 | 110 | M1 L2 L8 Q9 | M1-I5 PolarHBondContact O-N 3.32Å; L2-I5 PolarHBondContact O-N 2.98Å; I5-L8 PolarHBondContact O-N 3.4Å; I5-Q9 WeakPolarHBondContact O-CG 3.5Å; I5-Q9 PolarHBondContact O-N 2.96Å |
| 6 | L | 91.4 | Very high | 89.6 | Confident | 105 Ų | 105 | 109.8 Ų | 109.8 | 55% | 0.55 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.4 | -43.9 | 178.1 | -172.1 | 67.5 | 0 | 0 | 0 | 112.2 | L2 Q3 L8 Q9 V10 | L2-L6 PolarHBondContact O-N 3.01Å; Q3-L6 PolarHBondContact O-N 3.38Å; L6-L8 PolarHBondContact O-N 2.86Å; L6-Q9 PolarHBondContact O-N 2.98Å; L6-V10 WeakPolarHBondContact O-CG2 3.4Å; L6-V10 PolarHBondContact O-N 3.3Å |
| 7 | I | 92.6 | Very high | 89.7 | Confident | 98 Ų | 98 | 109.9 Ų | 109.9 | 50% | 0.503 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.5 | -45.6 | 176 | -69.9 | 163.4 | 0 | 0 | 0 | 110.7 | Q3 V4 V10 Q11 | Q3-I7 WeakPolarHBondContact O-CD1 3.26Å; Q3-I7 VanDerWaalsContact O-CG1 3.26Å; Q3-I7 WeakPolarHBondContact O-CG1 3.47Å; Q3-I7 PolarHBondContact O-N 2.72Å; V4-I7 PolarHBondContact O-N 3.43Å; I7-V10 PolarHBondContact O-N 3.31Å; I7-Q11 WeakPolarHBondContact O-CB 3.37Å; I7-Q11 WeakPolarHBondContact O-CG 3.49Å; I7-Q11 PolarHBondContact O-N 3.5Å |
| 8 | L | 90.6 | Very high | 89.7 | Confident | 95 Ų | 95 | 113.6 Ų | 113.6 | 50% | 0.497 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.1 | -41.7 | 176.4 | -75.2 | 167.2 | 0 | 0 | 0 | 112.6 | V4 I5 L6 Q11 T12 | V4-L8 HydrophobicContact CG1-CD1 4.21Å; V4-L8 WeakPolarHBondContact O-CB 3.48Å; V4-L8 WeakPolarHBondContact O-CG 3.39Å; V4-L8 PolarHBondContact O-N 3.19Å; I5-L8 PolarHBondContact O-N 3.4Å; L6-L8 PolarHBondContact O-N 2.86Å; L8-Q11 PolarHBondContact O-N 3.35Å; L8-T12 WeakPolarHBondContact O-CB 3.32Å; L8-T12 PolarHBondContact O-N 2.96Å; L8-T12 PolarHBondContact O-OG1 3.45Å |
| 9 | Q | 90.1 | Very high | 89.7 | Confident | 110 Ų | 110 | 113.4 Ų | 113.4 | 51% | 0.514 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63 | -46.5 | 176.4 | -76.8 | 177.7 | -32.1 | 0 | 0 | 111.6 | I5 L6 Q11 T12 I13 | I5-Q9 WeakPolarHBondContact O-CG 3.5Å; I5-Q9 PolarHBondContact O-N 2.96Å; L6-Q9 PolarHBondContact O-N 2.98Å; Q9-Q11 VanDerWaalsContact C-N 3.35Å; Q9-Q11 PolarHBondContact O-N 2.77Å; Q9-T12 PolarHBondContact O-N 3.39Å; Q9-I13 WeakPolarHBondContact O-CB 3.38Å; Q9-I13 VanDerWaalsContact O-CG1 3.29Å; Q9-I13 WeakPolarHBondContact O-CG1 3.29Å; Q9-I13 PolarHBondContact O-N 2.95Å |
| 10 | V | 92.6 | Very high | 89.6 | Confident | 81 Ų | 81 | 114.3 Ų | 114.3 | 49% | 0.491 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.6 | -40.7 | 177.5 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | L6 I7 T14 | L6-V10 WeakPolarHBondContact O-CG2 3.4Å; L6-V10 PolarHBondContact O-N 3.3Å; I7-V10 PolarHBondContact O-N 3.31Å; V10-T14 WeakPolarHBondContact O-CB 3.46Å; V10-T14 PolarHBondContact O-N 2.93Å; V10-T14 PolarHBondContact O-OG1 3.34Å |
| 11 | Q | 91.4 | Very high | 89.5 | Confident | 120 Ų | 120 | 112.1 Ų | 112.1 | 56% | 0.561 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.2 | -45.6 | 174.9 | -74.6 | -180 | -9 | 0 | 0 | 112.2 | I7 L8 Q9 I13 T14 L15 | I7-Q11 WeakPolarHBondContact O-CB 3.37Å; I7-Q11 WeakPolarHBondContact O-CG 3.49Å; I7-Q11 PolarHBondContact O-N 3.5Å; L8-Q11 PolarHBondContact O-N 3.35Å; Q9-Q11 VanDerWaalsContact C-N 3.35Å; Q9-Q11 PolarHBondContact O-N 2.77Å; Q11-I13 PolarHBondContact O-N 3.09Å; Q11-T14 PolarHBondContact O-N 2.89Å; Q11-L15 WeakPolarHBondContact O-CB 3.47Å; Q11-L15 PolarHBondContact O-N 2.95Å |
| 12 | T | 91.5 | Very high | 90.1 | Very high | 79 Ų | 79 | 107.7 Ų | 107.7 | 49% | 0.485 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.4 | -44.5 | 178 | -50.9 | 0 | 0 | 0 | 0 | 111.8 | L8 Q9 L15 L16 | L8-T12 WeakPolarHBondContact O-CB 3.32Å; L8-T12 PolarHBondContact O-N 2.96Å; L8-T12 PolarHBondContact O-OG1 3.45Å; Q9-T12 PolarHBondContact O-N 3.39Å; T12-L15 PolarHBondContact O-N 3.48Å; T12-L16 PolarHBondContact O-N 2.91Å |
| 13 | I | 92.8 | Very high | 90.2 | Very high | 116 Ų | 116 | 104.6 Ų | 104.6 | 60% | 0.595 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.9 | -43.8 | 177 | -68.2 | 164.9 | 0 | 0 | 0 | 110.9 | Q9 Q11 L15 L16 L17 | Q9-I13 WeakPolarHBondContact O-CB 3.38Å; Q9-I13 VanDerWaalsContact O-CG1 3.29Å; Q9-I13 WeakPolarHBondContact O-CG1 3.29Å; Q9-I13 PolarHBondContact O-N 2.95Å; Q11-I13 PolarHBondContact O-N 3.09Å; I13-L15 VanDerWaalsContact C-N 3.32Å; I13-L15 PolarHBondContact O-N 2.94Å; I13-L16 PolarHBondContact O-N 3.44Å; I13-L17 WeakPolarHBondContact O-CB 3.49Å; I13-L17 PolarHBondContact O-N 3.36Å |
| 14 | T | 92.1 | Very high | 90.1 | Very high | 64 Ų | 64 | 101.7 Ų | 101.7 | 39% | 0.393 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 177.7 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | V10 Q11 R18 | V10-T14 WeakPolarHBondContact O-CB 3.46Å; V10-T14 PolarHBondContact O-N 2.93Å; V10-T14 PolarHBondContact O-OG1 3.34Å; Q11-T14 PolarHBondContact O-N 2.89Å; T14-R18 WeakPolarHBondContact O-CG 3.44Å; T14-R18 PolarHBondContact O-N 3.31Å; T14-R18 VanDerWaalsContact O-N 3.09Å |
| 15 | L | 92.3 | Very high | 90.1 | Very high | 106 Ų | 106 | 100.6 Ų | 100.6 | 56% | 0.555 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.3 | -45.2 | 176.2 | -176.9 | 62.1 | 0 | 0 | 0 | 111.5 | Q11 T12 I13 L17 R18 L19 | Q11-L15 WeakPolarHBondContact O-CB 3.47Å; Q11-L15 PolarHBondContact O-N 2.95Å; T12-L15 PolarHBondContact O-N 3.48Å; I13-L15 VanDerWaalsContact C-N 3.32Å; I13-L15 PolarHBondContact O-N 2.94Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 3.19Å; L15-R18 PolarHBondContact O-N 3.06Å; L15-L19 HydrophobicContact CD1-CD1 4.39Å; L15-L19 HydrophobicContact CG-CD1 4.08Å; L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 WeakPolarHBondContact O-CG 3.38Å; L15-L19 PolarHBondContact O-N 3.21Å |
| 16 | L | 91.2 | Very high | 89.8 | Confident | 116 Ų | 116 | 101.4 Ų | 101.4 | 61% | 0.607 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -56.6 | -46.5 | 174 | -116.4 | 77.2 | 0 | 0 | 0 | 111.6 | T12 I13 R18 L19 L20 | T12-L16 PolarHBondContact O-N 2.91Å; I13-L16 PolarHBondContact O-N 3.44Å; L16-R18 PolarHBondContact O-N 2.85Å; L16-L19 PolarHBondContact O-N 3.01Å; L16-L20 WeakPolarHBondContact O-CB 3.46Å; L16-L20 PolarHBondContact O-N 3.4Å |
| 17 | L | 91.2 | Very high | 89.5 | Confident | 111 Ų | 111 | 101.6 Ų | 101.6 | 58% | 0.581 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64 | -42.4 | -178.3 | -167.4 | 68.1 | 0 | 0 | 0 | 111.5 | I13 L15 L20 T21 | I13-L17 WeakPolarHBondContact O-CB 3.49Å; I13-L17 PolarHBondContact O-N 3.36Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 3.19Å; L17-L20 PolarHBondContact O-N 3.3Å; L17-T21 WeakPolarHBondContact O-CG2 3.47Å; L17-T21 PolarHBondContact O-N 2.94Å; L17-T21 PolarHBondContact O-OG1 2.98Å |
| 18 | R | 89.8 | Confident | 89.1 | Confident | 177 Ų | 177 | 101.9 Ų | 101.9 | 67% | 0.668 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.6 | -46.1 | 174.6 | -75.4 | -179.6 | 177.9 | -158.3 | -0.9 | 112.1 | T14 L15 L16 L20 T21 L22 | T14-R18 WeakPolarHBondContact O-CG 3.44Å; T14-R18 PolarHBondContact O-N 3.31Å; T14-R18 VanDerWaalsContact O-N 3.09Å; L15-R18 PolarHBondContact O-N 3.06Å; L16-R18 PolarHBondContact O-N 2.85Å; R18-L20 VanDerWaalsContact C-N 3.28Å; R18-L20 PolarHBondContact O-N 3.23Å; R18-T21 WeakPolarHBondContact CA-OG1 3.32Å; R18-T21 PolarHBondContact O-N 3.31Å; R18-T21 PolarHBondContact O-OG1 3.48Å; R18-L22 PolarHBondContact O-N 3.34Å |
| 19 | L | 89.1 | Confident | 88.7 | Confident | 109 Ų | 109 | 102.8 Ų | 102.8 | 57% | 0.571 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.8 | -36.5 | 176.9 | -73.1 | 167.4 | 0 | 0 | 0 | 112.2 | L15 L16 P23 | L15-L19 HydrophobicContact CD1-CD1 4.39Å; L15-L19 HydrophobicContact CG-CD1 4.08Å; L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 WeakPolarHBondContact O-CG 3.38Å; L15-L19 PolarHBondContact O-N 3.21Å; L16-L19 PolarHBondContact O-N 3.01Å; L19-P23 WeakPolarHBondContact O-CD 3.34Å |
| 20 | L | 88.1 | Confident | 88 | Confident | 132 Ų | 132 | 102.1 Ų | 102.1 | 69% | 0.691 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70.5 | -37.1 | 175.8 | -167.6 | 70.4 | 0 | 0 | 0 | 112.5 | L16 L17 R18 P23 | L16-L20 WeakPolarHBondContact O-CB 3.46Å; L16-L20 PolarHBondContact O-N 3.4Å; L17-L20 PolarHBondContact O-N 3.3Å; R18-L20 VanDerWaalsContact C-N 3.28Å; R18-L20 PolarHBondContact O-N 3.23Å; L20-P23 WeakPolarHBondContact O-CD 3.42Å |
| 21 | T | 87.4 | Confident | 87.1 | Confident | 68 Ų | 68 | 102.5 Ų | 102.5 | 42% | 0.417 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -74.9 | -31.8 | 179.5 | 51.9 | 0 | 0 | 0 | 0 | 114.3 | L17 R18 L24 S25 | L17-T21 WeakPolarHBondContact O-CG2 3.47Å; L17-T21 PolarHBondContact O-N 2.94Å; L17-T21 PolarHBondContact O-OG1 2.98Å; R18-T21 WeakPolarHBondContact CA-OG1 3.32Å; R18-T21 PolarHBondContact O-N 3.31Å; R18-T21 PolarHBondContact O-OG1 3.48Å; T21-L24 WeakPolarHBondContact O-CB 3.3Å; T21-L24 PolarHBondContact O-N 3.29Å; T21-L24 VanDerWaalsContact O-N 3.12Å; T21-S25 PolarHBondContact O-N 2.94Å; T21-S25 PolarHBondContact O-OG 3.23Å |
| 22 | L | 88.7 | Confident | 86.3 | Confident | 100 Ų | 100 | 100.4 Ų | 100.4 | 52% | 0.524 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -55.7 | -49.2 | -175.3 | -176.1 | 63.5 | 0 | 0 | 0 | 114.7 | R18 L24 S25 I26 | R18-L22 PolarHBondContact O-N 3.34Å; L22-L24 VanDerWaalsContact C-N 3.28Å; L22-L24 PolarHBondContact O-N 3.44Å; L22-S25 WeakPolarHBondContact O-CB 3.43Å; L22-S25 PolarHBondContact O-N 3.42Å; L22-I26 HydrophobicContact CD1-CD1 4.32Å; L22-I26 HydrophobicContact CG-CD1 4.1Å; L22-I26 WeakPolarHBondContact O-CG1 3.49Å; L22-I26 PolarHBondContact O-N 3.01Å |
| 23 | P | 87.6 | Confident | 84.9 | Confident | 79 Ų | 79 | 102 Ų | 102 | 51% | 0.513 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.9 | -30.8 | 177.5 | 25.7 | -34.9 | 0 | 0 | 0 | 112.7 | L19 L20 I26 L27 | L19-P23 WeakPolarHBondContact O-CD 3.34Å; L20-P23 WeakPolarHBondContact O-CD 3.42Å; P23-I26 PolarHBondContact O-N 3.4Å; P23-L27 WeakPolarHBondContact O-CB 3.4Å; P23-L27 PolarHBondContact O-N 2.75Å |
| 24 | L | 84.7 | Confident | 83 | Confident | 102 Ų | 102 | 101.5 Ų | 101.5 | 53% | 0.534 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.4 | -39.7 | 174.4 | -176 | 63.8 | 0 | 0 | 0 | 111.3 | T21 L22 I26 L27 L28 | T21-L24 WeakPolarHBondContact O-CB 3.3Å; T21-L24 PolarHBondContact O-N 3.29Å; T21-L24 VanDerWaalsContact O-N 3.12Å; L22-L24 VanDerWaalsContact C-N 3.28Å; L22-L24 PolarHBondContact O-N 3.44Å; L24-I26 VanDerWaalsContact C-N 3.34Å; L24-L27 PolarHBondContact O-N 3.04Å; L24-L28 HydrophobicContact CG-CD1 4.22Å; L24-L28 WeakPolarHBondContact O-CB 3.4Å; L24-L28 VanDerWaalsContact O-CG 3.3Å; L24-L28 WeakPolarHBondContact O-CG 3.46Å; L24-L28 PolarHBondContact O-N 3.21Å |
| 25 | S | 85.7 | Confident | 81.2 | Confident | 68 Ų | 68 | 103.4 Ų | 103.4 | 48% | 0.476 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.4 | -40.3 | 172.9 | -51.9 | 0 | 0 | 0 | 0 | 112.4 | T21 L22 L29 | T21-S25 PolarHBondContact O-N 2.94Å; T21-S25 PolarHBondContact O-OG 3.23Å; L22-S25 WeakPolarHBondContact O-CB 3.43Å; L22-S25 PolarHBondContact O-N 3.42Å; S25-L29 WeakPolarHBondContact O-CB 3.13Å; S25-L29 PolarHBondContact O-N 3.12Å |
| 26 | I | 85.7 | Confident | 79.1 | Confident | 94 Ų | 94 | 102 Ų | 102 | 48% | 0.482 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.9 | -44.3 | 177.1 | -66.7 | 165.9 | 0 | 0 | 0 | 110.8 | L22 P23 L24 L29 T30 | L22-I26 HydrophobicContact CD1-CD1 4.32Å; L22-I26 HydrophobicContact CG-CD1 4.1Å; L22-I26 WeakPolarHBondContact O-CG1 3.49Å; L22-I26 PolarHBondContact O-N 3.01Å; P23-I26 PolarHBondContact O-N 3.4Å; L24-I26 VanDerWaalsContact C-N 3.34Å; I26-L29 PolarHBondContact O-N 3.12Å; I26-T30 PolarHBondContact O-N 3.35Å; I26-T30 PolarHBondContact O-OG1 3.03Å |
| 27 | L | 84.6 | Confident | 76.8 | Confident | 109 Ų | 109 | 104.7 Ų | 104.7 | 57% | 0.571 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63 | -41.6 | 177.5 | -178.5 | 63.6 | 0 | 0 | 0 | 112.3 | P23 L24 T30 S31 | P23-L27 WeakPolarHBondContact O-CB 3.4Å; P23-L27 PolarHBondContact O-N 2.75Å; L24-L27 PolarHBondContact O-N 3.04Å; L27-T30 PolarHBondContact O-OG1 3.04Å; L27-S31 WeakPolarHBondContact O-CB 3.41Å; L27-S31 PolarHBondContact O-N 3.41Å; L27-S31 PolarHBondContact O-OG 3.22Å |
| 28 | L | 83.6 | Confident | 74.4 | Confident | 104 Ų | 104 | 105.7 Ų | 105.7 | 55% | 0.545 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.2 | -44.5 | 173.4 | -75.3 | 166 | 0 | 0 | 0 | 111 | L24 S31 A32 | L24-L28 HydrophobicContact CG-CD1 4.22Å; L24-L28 WeakPolarHBondContact O-CB 3.4Å; L24-L28 VanDerWaalsContact O-CG 3.3Å; L24-L28 WeakPolarHBondContact O-CG 3.46Å; L24-L28 PolarHBondContact O-N 3.21Å; L28-S31 PolarHBondContact O-N 2.98Å; L28-S31 PolarHBondContact O-OG 2.91Å; L28-A32 WeakPolarHBondContact O-CB 3.34Å; L28-A32 PolarHBondContact O-N 3.37Å |
| 29 | L | 81.7 | Confident | 71.8 | Confident | 114 Ų | 114 | 103.5 Ų | 103.5 | 60% | 0.597 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -62.8 | -45.6 | 178.5 | -175.4 | 62.6 | 0 | 0 | 0 | 112.2 | S25 I26 S31 A32 L33 | S25-L29 WeakPolarHBondContact O-CB 3.13Å; S25-L29 PolarHBondContact O-N 3.12Å; I26-L29 PolarHBondContact O-N 3.12Å; L29-S31 VanDerWaalsContact C-N 3.29Å; L29-S31 PolarHBondContact O-N 3.15Å; L29-A32 PolarHBondContact O-N 3.26Å; L29-A32 VanDerWaalsContact O-N 3.12Å; L29-L33 HydrophobicContact CD1-CD1 4.16Å; L29-L33 HydrophobicContact CG-CD1 4.23Å; L29-L33 WeakPolarHBondContact O-CD1 3.18Å; L29-L33 PolarHBondContact O-N 2.91Å |
| 30 | T | 76.3 | Confident | 69 | Low | 95 Ų | 95 | 104.3 Ų | 104.3 | 58% | 0.583 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68 | -27.9 | 177.6 | 55.4 | 0 | 0 | 0 | 0 | 113 | I26 L27 A32 | I26-T30 PolarHBondContact O-N 3.35Å; I26-T30 PolarHBondContact O-OG1 3.03Å; L27-T30 PolarHBondContact O-OG1 3.04Å; T30-A32 VanDerWaalsContact C-N 3.34Å |
| 31 | S | 73.5 | Confident | 66.3 | Low | 89 Ų | 89 | 103.7 Ų | 103.7 | 62% | 0.622 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -75.5 | -19.7 | 171.4 | 75.3 | 0 | 0 | 0 | 0 | 114.3 | L27 L28 L29 | L27-S31 WeakPolarHBondContact O-CB 3.41Å; L27-S31 PolarHBondContact O-N 3.41Å; L27-S31 PolarHBondContact O-OG 3.22Å; L28-S31 PolarHBondContact O-N 2.98Å; L28-S31 PolarHBondContact O-OG 2.91Å; L29-S31 VanDerWaalsContact C-N 3.29Å; L29-S31 PolarHBondContact O-N 3.15Å |
| 32 | A | 73.7 | Confident | 63.4 | Low | 76 Ų | 76 | 102 Ų | 102 | 63% | 0.628 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -95.4 | -16.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L28 L29 T30 | L28-A32 WeakPolarHBondContact O-CB 3.34Å; L28-A32 PolarHBondContact O-N 3.37Å; L29-A32 PolarHBondContact O-N 3.26Å; L29-A32 VanDerWaalsContact O-N 3.12Å; T30-A32 VanDerWaalsContact C-N 3.34Å |
| 33 | L | 62.2 | Low | 60.6 | Low | 112 Ų | 112 | 104.1 Ų | 104.1 | 59% | 0.586 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -69.3 | 127.7 | 166.2 | -88.5 | 78.6 | 0 | 0 | 0 | 108.8 | L29 | L29-L33 HydrophobicContact CD1-CD1 4.16Å; L29-L33 HydrophobicContact CG-CD1 4.23Å; L29-L33 WeakPolarHBondContact O-CD1 3.18Å; L29-L33 PolarHBondContact O-N 2.91Å |
| 34 | P | 54.3 | Low | 57.7 | Low | 107 Ų | 107 | 110.2 Ų | 110.2 | 70% | 0.695 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 144.4 | 165.2 | 27.7 | -33.6 | 0 | 0 | 0 | 108.5 | A36 | P34-A36 PolarHBondContact O-N 3.19Š|
| 35 | P | 54.5 | Low | 55 | Low | 104 Ų | 104 | 108.9 Ų | 108.9 | 68% | 0.675 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 117.2 | -178.1 | 23.1 | -33.4 | 0 | 0 | 0 | 109.3 | L37 | P35-L37 PolarHBondContact O-N 3Š|
| 36 | A | 48.3 | Very low | 52.1 | Low | 77 Ų | 77 | 111.2 Ų | 111.2 | 64% | 0.636 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 126.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | P34 L38 | P34-A36 PolarHBondContact O-N 3.19Å; A36-L38 PolarHBondContact O-N 2.75Å |
| 37 | L | 41.6 | Very low | 49.3 | Very low | 172 Ų | 172 | 113.7 Ų | 113.7 | 90% | 0.901 | 64% | 0.637 | S | S | * | * | | | trans | -74.6 | 60.6 | -174.8 | -70.2 | 167.4 | 0 | 0 | 0 | 111.6 | P35 | P35-L37 PolarHBondContact O-N 3Š|
| 38 | L | 40.3 | Very low | 46.5 | Very low | 132 Ų | 132 | 117.8 Ų | 117.8 | 69% | 0.691 | 65% | 0.647 | S | S | * | * | | | trans | -53.7 | 142.1 | 149.5 | -64.8 | 171.4 | 0 | 0 | 0 | 107.8 | A36 Q40 | A36-L38 PolarHBondContact O-N 2.75Å; L38-Q40 VanDerWaalsContact C-N 3.3Å; L38-Q40 PolarHBondContact O-N 3.14Å |
| 39 | P | 35.2 | Very low | 43.8 | Very low | 131 Ų | 131 | 117.7 Ų | 117.7 | 85% | 0.851 | 64% | 0.643 | S | S | * | * | | | trans | -68.9 | 86.8 | 179.2 | 28.3 | -34.6 | 0 | 0 | 0 | 110.4 | N41 | P39-N41 PolarHBondContact O-N 2.8Š|
| 40 | Q | 30.7 | Very low | 41.2 | Very low | 126 Ų | 126 | 117.5 Ų | 117.5 | 59% | 0.589 | 64% | 0.643 | S | S | * | * | | | trans | -69.7 | 111.9 | 179.9 | -68.5 | -169.7 | 16.8 | 0 | 0 | 110.6 | L38 G42 | L38-Q40 VanDerWaalsContact C-N 3.3Å; L38-Q40 PolarHBondContact O-N 3.14Å; Q40-G42 PolarHBondContact O-N 2.96Å |
| 41 | N | 31.6 | Very low | 38.9 | Very low | 118 Ų | 118 | 115.5 Ų | 115.5 | 63% | 0.631 | 63% | 0.632 | S | S | * | * | | | trans | 54.9 | 53.1 | 152.9 | -52.3 | -2.9 | 0 | 0 | 0 | 115.1 | P39 Y43 | P39-N41 PolarHBondContact O-N 2.8Å; N41-Y43 WeakPolarHBondContact O-CD2 3.48Å; N41-Y43 PolarHBondContact O-N 3.25Å; N41-Y43 VanDerWaalsContact O-N 3.14Å |
| 42 | G | 27.5 | Very low | 36.8 | Very low | 33 Ų | 33 | 115.6 Ų | 115.6 | 34% | 0.34 | 63% | 0.629 | S | S | . | * | | | trans | -66.7 | 105.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q40 Y44 | Q40-G42 PolarHBondContact O-N 2.96Å; G42-Y44 VanDerWaalsContact O-CD2 3.27Å; G42-Y44 WeakPolarHBondContact O-CD2 3.45Å; G42-Y44 WeakPolarHBondContact O-CE2 3.48Å; G42-Y44 PolarHBondContact O-N 3.16Å |
| 43 | Y | 29.1 | Very low | 34.7 | Very low | 144 Ų | 144 | 117.4 Ų | 117.4 | 57% | 0.565 | 63% | 0.629 | S | S | * | * | | | trans | -72 | 122.3 | 173.2 | -72.8 | -86.9 | 0 | 0 | 0 | 110.4 | N41 | N41-Y43 WeakPolarHBondContact O-CD2 3.48Å; N41-Y43 PolarHBondContact O-N 3.25Å; N41-Y43 VanDerWaalsContact O-N 3.14Å |
| 44 | Y | 27.2 | Very low | 33.1 | Very low | 207 Ų | 207 | 118.3 Ų | 118.3 | 81% | 0.812 | 63% | 0.634 | S | S | * | * | | | trans | -98.1 | 113.4 | 174.9 | -66.2 | -87.4 | 0 | 0 | 0 | 110.1 | G42 | G42-Y44 VanDerWaalsContact O-CD2 3.27Å; G42-Y44 WeakPolarHBondContact O-CD2 3.45Å; G42-Y44 WeakPolarHBondContact O-CE2 3.48Å; G42-Y44 PolarHBondContact O-N 3.16Å |
| 45 | C | 28.3 | Very low | 32 | Very low | 74 Ų | 74 | 118 Ų | 118 | 50% | 0.5 | 63% | 0.631 | S | S | . | * | | | trans | -89.4 | 123.1 | 173.3 | -87 | 0 | 0 | 0 | 0 | 111.3 | Y47 | C45-Y47 HydrophobicContact CB-CD2 4.1Å; C45-Y47 HydrophobicContact CB-CE2 3.68Å |
| 46 | C | 25 | Very low | 30.9 | Very low | 118 Ų | 118 | 118.2 Ų | 118.2 | 80% | 0.797 | 63% | 0.63 | S | S | * | * | | | trans | -116.3 | 119.4 | 174.9 | -68.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 47 | Y | 27.2 | Very low | 30.1 | Very low | 146 Ų | 146 | 120.2 Ų | 120.2 | 57% | 0.573 | 63% | 0.634 | S | S | * | * | | | trans | -127.1 | 143 | -178.6 | -73.6 | -73.9 | 0 | 0 | 0 | 112.6 | C45 L190 | C45-Y47 HydrophobicContact CB-CD2 4.1Å; C45-Y47 HydrophobicContact CB-CE2 3.68Å; Y47-L190 WeakPolarHBondContact OH-CA 3.48Å; Y47-L190 VanDerWaalsContact OH-CB 3.3Å; Y47-L190 WeakPolarHBondContact OH-CB 3.28Å; Y47-L190 PolarHBondContact OH-N 3.47Å; Y47-L190 PolarHBondContact OH-O 3.22Å |
| 48 | Y | 25.9 | Very low | 29.8 | Very low | 195 Ų | 195 | 117.8 Ų | 117.8 | 77% | 0.765 | 63% | 0.627 | S | S | * | * | | | trans | -92 | 143.5 | -171.1 | -164.5 | -88.1 | 0 | 0 | 0 | 111.7 | | |
| 49 | H | 26.2 | Very low | 29.4 | Very low | 102 Ų | 102 | 116.5 Ų | 116.5 | 47% | 0.472 | 63% | 0.625 | S | S | . | * | | | trans | -90.8 | 125.1 | -177.4 | -178.2 | -108 | 0 | 0 | 0 | 111.4 | A145 | H49-A145 PolarHBondContact NE2-O 3.16Š|
| 50 | N | 27.6 | Very low | 29.3 | Very low | 109 Ų | 109 | 116.7 Ų | 116.7 | 58% | 0.583 | 62% | 0.618 | S | S | * | * | | | trans | -108.9 | 121 | 176.4 | -167.4 | 3.7 | 0 | 0 | 0 | 109.9 | | |
| 51 | S | 27.8 | Very low | 29.2 | Very low | 53 Ų | 53 | 117 Ų | 117 | 37% | 0.371 | 63% | 0.629 | S | S | . | * | | | trans | -109 | 100.1 | -173.2 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | N53 | S51-N53 PolarHBondContact O-N 2.94Š|
| 52 | T | 28.7 | Very low | 29.2 | Very low | 91 Ų | 91 | 117.7 Ų | 117.7 | 56% | 0.558 | 63% | 0.631 | S | S | * | * | | | trans | -83.9 | 110.6 | 175.8 | -49 | 0 | 0 | 0 | 0 | 111.1 | N54 | T52-N54 PolarHBondContact O-N 3.33Š|
| 53 | N | 30.1 | Very low | 29.1 | Very low | 114 Ų | 114 | 119.6 Ų | 119.6 | 61% | 0.61 | 64% | 0.64 | S | S | * | * | | | trans | -79.7 | 96.7 | 176.2 | -70.2 | -16.4 | 0 | 0 | 0 | 111.1 | S51 | S51-N53 PolarHBondContact O-N 2.94Š|
| 54 | N | 29.2 | Very low | 29 | Very low | 131 Ų | 131 | 117.9 Ų | 117.9 | 70% | 0.701 | 64% | 0.644 | S | S | * | * | | | trans | -86.2 | 113 | 167.5 | -84.5 | -9.2 | 0 | 0 | 0 | 110.4 | T52 | T52-N54 PolarHBondContact O-N 3.33Š|
| 55 | T | 30.9 | Very low | 29 | Very low | 102 Ų | 102 | 112.7 Ų | 112.7 | 63% | 0.626 | 64% | 0.639 | S | S | * | * | | | trans | -93 | 125.1 | 175.5 | -54.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 56 | T | 31.6 | Very low | 28.8 | Very low | 107 Ų | 107 | 116 Ų | 116 | 66% | 0.656 | 66% | 0.657 | S | S | * | * | | | trans | -120.8 | 122.1 | 175.8 | -54.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 57 | T | 31.6 | Very low | 28.8 | Very low | 119 Ų | 119 | 116.1 Ų | 116.1 | 73% | 0.73 | 65% | 0.653 | S | S | * | * | | | trans | -96.6 | 126.8 | -178.6 | -50.8 | 0 | 0 | 0 | 0 | 111 | | |
| 58 | T | 33.5 | Very low | 28.7 | Very low | 121 Ų | 121 | 115.7 Ų | 115.7 | 74% | 0.742 | 67% | 0.666 | S | S | * | * | | | trans | -125.8 | 141.1 | 175.5 | -53.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 59 | T | 32.9 | Very low | 28.7 | Very low | 105 Ų | 105 | 111.3 Ų | 111.3 | 64% | 0.644 | 66% | 0.664 | S | S | * | * | | | trans | -132.7 | 132.6 | -166.3 | -50.3 | 0 | 0 | 0 | 0 | 112 | | |
| 60 | N | 33.8 | Very low | 28.7 | Very low | 135 Ų | 135 | 112.8 Ų | 112.8 | 72% | 0.722 | 68% | 0.68 | S | S | * | * | | | trans | 69.7 | 151 | 178.8 | -54.4 | -31.1 | 0 | 0 | 0 | 115.4 | | |
| 61 | T | 28.7 | Very low | 28.5 | Very low | 134 Ų | 134 | 112.4 Ų | 112.4 | 82% | 0.822 | 67% | 0.673 | S | S | * | * | | | cis | -108.7 | 137.8 | 3.5 | -49.8 | 0 | 0 | 0 | 0 | 110.3 | S63 | T61-S63 PolarHBondContact O-N 3.44Å; T61-S63 VanDerWaalsContact O-N 3.1Å |
| 62 | I | 29.8 | Very low | 28.4 | Very low | 131 Ų | 131 | 115.7 Ų | 115.7 | 67% | 0.672 | 69% | 0.691 | S | S | * | * | | | trans | -65 | 110 | -160.3 | -47.9 | 178 | 0 | 0 | 0 | 112.3 | I156 | I62-I156 HydrophobicContact CG2-CG1 4.24Š|
| 63 | S | 25.8 | Very low | 28.4 | Very low | 73 Ų | 73 | 116 Ų | 116 | 51% | 0.51 | 69% | 0.688 | S | S | . | * | | | trans | -147.2 | 129.2 | -176.1 | -168.3 | 0 | 0 | 0 | 0 | 113.6 | T61 | T61-S63 PolarHBondContact O-N 3.44Å; T61-S63 VanDerWaalsContact O-N 3.1Å |
| 64 | T | 28.5 | Very low | 28.2 | Very low | 108 Ų | 108 | 116.7 Ų | 116.7 | 66% | 0.663 | 70% | 0.697 | S | S | * | * | | | trans | 61.5 | 140.9 | 141.6 | 51.6 | 0 | 0 | 0 | 0 | 124.1 | | |
| 65 | S | 26.4 | Very low | 28.2 | Very low | 99 Ų | 99 | 115.4 Ų | 115.4 | 69% | 0.692 | 69% | 0.694 | S | S | * | * | | | trans | 78.4 | 130.7 | 135.2 | 61.9 | 0 | 0 | 0 | 0 | 121.6 | | |
| 66 | T | 24.3 | Very low | 27.9 | Very low | 144 Ų | 144 | 116.4 Ų | 116.4 | 88% | 0.883 | 71% | 0.705 | S | S | * | * | | | trans | -83.1 | 132.3 | 157.9 | 27.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 67 | V | 25.4 | Very low | 27.7 | Very low | 120 Ų | 120 | 117.1 Ų | 117.1 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | | | trans | -140.3 | 138.6 | 174.6 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 68 | T | 24.2 | Very low | 27.3 | Very low | 136 Ų | 136 | 120.8 Ų | 120.8 | 83% | 0.834 | 72% | 0.721 | S | S | * | * | | | trans | -135.3 | 135.1 | 176.1 | -48.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 69 | S | 25.4 | Very low | 26.9 | Very low | 104 Ų | 104 | 121.9 Ų | 121.9 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | | | trans | 158.2 | 133.5 | 146 | -173.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 70 | T | 25.9 | Very low | 26.7 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 81% | 0.81 | 73% | 0.729 | S | S | * | * | | | trans | 37.6 | 138.8 | 138.6 | -35.2 | 0 | 0 | 0 | 0 | 122.3 | | |
| 71 | K | 24.6 | Very low | 26.3 | Very low | 101 Ų | 101 | 120.6 Ų | 120.6 | 44% | 0.439 | 72% | 0.723 | S | S | . | * | | | trans | -110.5 | 153.2 | 179 | -75.2 | 163.5 | 159.2 | -84.2 | 0 | 113.2 | T166 N167 | K71-T166 VanDerWaalsContact NZ-CG2 3.31Å; K71-N167 PolarHBondContact NZ-O 3.32Å |
| 72 | T | 25 | Very low | 26.3 | Very low | 122 Ų | 122 | 121.1 Ų | 121.1 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | | | trans | -122.3 | 144 | 156.3 | -53.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 73 | I | 28.5 | Very low | 26.2 | Very low | 97 Ų | 97 | 121.2 Ų | 121.2 | 50% | 0.497 | 72% | 0.723 | S | S | . | * | | | trans | -128.4 | 128.8 | 172.4 | -62 | -179.8 | 0 | 0 | 0 | 108.4 | T75 | I73-T75 HydrophobicContact CG2-CG2 4.46Š|
| 74 | T | 27.1 | Very low | 26.4 | Very low | 130 Ų | 130 | 124.9 Ų | 124.9 | 80% | 0.798 | 74% | 0.737 | S | S | * | * | | | trans | -118.7 | 130.6 | 176.1 | -51.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 75 | T | 28.8 | Very low | 26.3 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 64% | 0.638 | 75% | 0.745 | S | S | * | * | | | trans | -113.7 | 150 | 177.2 | 50 | 0 | 0 | 0 | 0 | 111.4 | I73 | I73-T75 HydrophobicContact CG2-CG2 4.46Š|
| 76 | S | 25 | Very low | 26.4 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | | | trans | -154.6 | 144.7 | 177.1 | 58.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 77 | S | 27.6 | Very low | 26.5 | Very low | 122 Ų | 122 | 132.5 Ų | 132.5 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | | | trans | -146.5 | 145.4 | -178.3 | 51.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 78 | K | 22.3 | Very low | 26.4 | Very low | 197 Ų | 197 | 131.1 Ų | 131.1 | 86% | 0.857 | 75% | 0.75 | S | S | * | * | | | trans | -174.8 | 153.2 | -172.8 | -121.7 | -171.3 | 175.4 | -179.6 | 0 | 108.5 | | |
| 79 | I | 25.8 | Very low | 26.4 | Very low | 143 Ų | 143 | 131.4 Ų | 131.4 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | | | cis | -124.3 | -162.3 | -10.2 | -10.8 | 176.9 | 0 | 0 | 0 | 106.2 | | |
| 80 | N | 27.5 | Very low | 26.4 | Very low | 155 Ų | 155 | 132.7 Ų | 132.7 | 83% | 0.829 | 76% | 0.755 | S | S | * | * | | | cis | -146.8 | -165.8 | 12.9 | -161 | 12.4 | 0 | 0 | 0 | 109.9 | | |
| 81 | G | 26.5 | Very low | 26.4 | Very low | 58 Ų | 58 | 135.2 Ų | 135.2 | 60% | 0.598 | 76% | 0.757 | S | S | * | * | | | trans | -140.1 | 151.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 82 | N | 27.2 | Very low | 26.4 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | | | trans | 63.4 | 127.6 | 149.4 | -162.2 | 24.8 | 0 | 0 | 0 | 121 | | |
| 83 | N | 28.9 | Very low | 26.4 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | | 176.1 | 159.8 | 120.5 | -91 | -38 | 0 | 0 | 0 | 114.6 | | |
| 84 | N | 29.5 | Very low | 26.2 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | | | trans | 65.2 | 119 | 174.6 | -62.7 | -19.1 | 0 | 0 | 0 | 116.5 | | |
| 85 | R | 26.7 | Very low | 26.1 | Very low | 220 Ų | 220 | 135.2 Ų | 135.2 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | | | cis | 76.6 | 108.4 | 21.5 | -156.1 | -167 | -160.7 | -155.4 | 6.7 | 115.6 | | |
| 86 | N | 27.6 | Very low | 26 | Very low | 166 Ų | 166 | 135.1 Ų | 135.1 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | | | trans | -155.3 | 160.1 | 142.1 | -122.1 | -16.9 | 0 | 0 | 0 | 111 | | |
| 87 | T | 26.9 | Very low | 26 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | | | trans | -116.9 | 124.9 | -165.1 | 48.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 88 | A | 22.7 | Very low | 26 | Very low | 91 Ų | 91 | 132 Ų | 132 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | | | trans | -143.3 | 159.1 | 156 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 89 | T | 25.3 | Very low | 26.2 | Very low | 143 Ų | 143 | 126.2 Ų | 126.2 | 88% | 0.877 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -55.9 | 137.6 | 178.3 | 34.7 | 0 | 0 | 0 | 0 | 111.7 | H91 | T89-H91 PolarHBondContact O-N 3.35Š|
| 90 | T | 25.8 | Very low | 26.3 | Very low | 130 Ų | 130 | 125.3 Ų | 125.3 | 80% | 0.798 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -67.5 | 92 | -148.7 | 46.2 | 0 | 0 | 0 | 0 | 116.3 | | |
| 91 | H | 24.5 | Very low | 26.3 | Very low | 186 Ų | 186 | 123.2 Ų | 123.2 | 86% | 0.861 | 73% | 0.726 | S | S | * | * | | | trans | -138.9 | 107.4 | 150.9 | -76.8 | -79.3 | 0 | 0 | 0 | 109.1 | T89 | T89-H91 PolarHBondContact O-N 3.35Š|
| 92 | T | 26.1 | Very low | 26.3 | Very low | 133 Ų | 133 | 125.9 Ų | 125.9 | 82% | 0.816 | 73% | 0.731 | S | S | * | * | | | trans | -140.5 | 119.1 | 177.4 | 44.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 93 | A | 24 | Very low | 26.3 | Very low | 87 Ų | 87 | 123.8 Ų | 123.8 | 72% | 0.719 | 73% | 0.728 | S | S | * | * | | | trans | -68.5 | -179.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 94 | T | 24.9 | Very low | 26.3 | Very low | 139 Ų | 139 | 124.9 Ų | 124.9 | 85% | 0.853 | 72% | 0.723 | S | S | * | * | | | trans | 60.2 | 79.1 | -178.8 | 61.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 95 | A | 25.5 | Very low | 26 | Very low | 90 Ų | 90 | 123.3 Ų | 123.3 | 74% | 0.744 | 72% | 0.724 | S | S | * | * | | | trans | -113.8 | 85.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | I97 | A95-I97 PolarHBondContact O-N 3.18Š|
| 96 | S | 25.9 | Very low | 26.1 | Very low | 103 Ų | 103 | 117.1 Ų | 117.1 | 72% | 0.72 | 71% | 0.711 | S | S | * | * | | | trans | -67.2 | 111.8 | 177.7 | -51.1 | 0 | 0 | 0 | 0 | 110.2 | S98 | S96-S98 PolarHBondContact O-N 2.78Š|
| 97 | I | 25.6 | Very low | 26.2 | Very low | 85 Ų | 85 | 116 Ų | 116 | 44% | 0.436 | 71% | 0.705 | S | S | . | * | | | trans | -79.7 | 109.9 | -179.8 | -55.2 | -177 | 0 | 0 | 0 | 109.3 | A95 I99 I133 | A95-I97 PolarHBondContact O-N 3.18Å; I97-I99 HydrophobicContact CG2-CG1 4.27Å; I97-I133 HydrophobicContact CD1-CD1 3.87Å; I97-I133 HydrophobicContact CD1-CG1 4.37Å; I97-I133 HydrophobicContact CD1-CG2 3.84Å; I97-I133 HydrophobicContact CG2-CD1 4.27Å |
| 98 | S | 26.5 | Very low | 26.2 | Very low | 92 Ų | 92 | 117.4 Ų | 117.4 | 64% | 0.643 | 70% | 0.703 | S | S | * | * | | | trans | -92.3 | 127.9 | 168.9 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | S96 | S96-S98 PolarHBondContact O-N 2.78Š|
| 99 | I | 27 | Very low | 26.5 | Very low | 76 Ų | 76 | 120.5 Ų | 120.5 | 39% | 0.39 | 71% | 0.705 | S | S | . | * | | | trans | -104.7 | 106.5 | 179.3 | -61.2 | 176.8 | 0 | 0 | 0 | 108.5 | I97 H101 | I97-I99 HydrophobicContact CG2-CG1 4.27Å; I99-H101 PolarHBondContact O-CD2 3.29Å; I99-H101 PolarHBondContact O-N 3.18Å |
| 100 | T | 27 | Very low | 26.7 | Very low | 124 Ų | 124 | 117.6 Ų | 117.6 | 76% | 0.761 | 69% | 0.69 | S | S | * | * | | | trans | -71.4 | 113.6 | 176.5 | -55.6 | 0 | 0 | 0 | 0 | 110.6 | T102 | T100-T102 PolarHBondContact O-N 3.48Š|
| 101 | H | 27.9 | Very low | 26.7 | Very low | 111 Ų | 111 | 117.5 Ų | 117.5 | 51% | 0.514 | 69% | 0.69 | S | S | . | * | | | trans | -77 | 112.4 | 170 | -76.1 | -107.7 | 0 | 0 | 0 | 110.9 | I99 S103 | I99-H101 PolarHBondContact O-CD2 3.29Å; I99-H101 PolarHBondContact O-N 3.18Å; H101-S103 PolarHBondContact O-N 3.25Å |
| 102 | T | 27 | Very low | 26.9 | Very low | 114 Ų | 114 | 113.3 Ų | 113.3 | 70% | 0.699 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 125.9 | 164.3 | -43.3 | 0 | 0 | 0 | 0 | 109 | T100 Y104 | T100-T102 PolarHBondContact O-N 3.48Å; T102-Y104 PolarHBondContact O-N 3.44Å |
| 103 | S | 27.7 | Very low | 26.8 | Very low | 101 Ų | 101 | 114 Ų | 114 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 116.5 | 178.6 | 53.4 | 0 | 0 | 0 | 0 | 111.1 | H101 | H101-S103 PolarHBondContact O-N 3.25Š|
| 104 | Y | 27.9 | Very low | 27 | Very low | 157 Ų | 157 | 114.9 Ų | 114.9 | 62% | 0.616 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 129.8 | 177 | -62.1 | -79.1 | 0 | 0 | 0 | 111.3 | T102 T106 | T102-Y104 PolarHBondContact O-N 3.44Å; Y104-T106 VanDerWaalsContact C-N 3.33Å |
| 105 | S | 24.1 | Very low | 27.2 | Very low | 118 Ų | 118 | 114.5 Ų | 114.5 | 83% | 0.825 | 66% | 0.661 | S | S | * | * | | | trans | -87.4 | 4 | -178 | 55.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 106 | T | 28.2 | Very low | 27.3 | Very low | 90 Ų | 90 | 115.8 Ų | 115.8 | 55% | 0.552 | 66% | 0.66 | S | S | * | * | | | trans | -89.2 | 112.6 | -174 | 44.4 | 0 | 0 | 0 | 0 | 112.3 | Y104 H108 | Y104-T106 VanDerWaalsContact C-N 3.33Å; T106-H108 PolarHBondContact O-CD2 3.25Å; T106-H108 VanDerWaalsContact O-CD2 3.26Å; T106-H108 PolarHBondContact O-N 3.38Å |
| 107 | N | 29.2 | Very low | 27.5 | Very low | 143 Ų | 143 | 117 Ų | 117 | 77% | 0.765 | 66% | 0.664 | S | S | * | * | | | trans | -62.1 | 116.8 | 171.5 | -68.1 | -41.2 | 0 | 0 | 0 | 111 | | |
| 108 | H | 28.3 | Very low | 27.6 | Very low | 153 Ų | 153 | 116.7 Ų | 116.7 | 71% | 0.708 | 67% | 0.667 | S | S | * | * | | | trans | -90.3 | 108 | 169.7 | -73.5 | -91.4 | 0 | 0 | 0 | 110.3 | T106 | T106-H108 PolarHBondContact O-CD2 3.25Å; T106-H108 VanDerWaalsContact O-CD2 3.26Å; T106-H108 PolarHBondContact O-N 3.38Å |
| 109 | I | 28.3 | Very low | 27.7 | Very low | 156 Ų | 156 | 122.8 Ų | 122.8 | 80% | 0.8 | 68% | 0.676 | S | S | * | * | | | trans | -87.3 | 127.5 | 168.9 | -64.2 | 163 | 0 | 0 | 0 | 108.2 | T111 | I109-T111 HydrophobicContact CG2-CG2 4.45Š|
| 110 | S | 28.7 | Very low | 27.8 | Very low | 82 Ų | 82 | 122.4 Ų | 122.4 | 57% | 0.573 | 68% | 0.677 | S | S | * | * | | | trans | -126.2 | 118.7 | 169.2 | -160.1 | 0 | 0 | 0 | 0 | 109.7 | H112 | S110-H112 PolarHBondContact OG-CE1 3.26Å; S110-H112 PolarHBondContact OG-NE2 2.7Å |
| 111 | T | 26.7 | Very low | 27.9 | Very low | 128 Ų | 128 | 121.3 Ų | 121.3 | 79% | 0.785 | 67% | 0.67 | S | S | * | * | | | trans | -96.1 | 113.3 | 177.5 | 44.1 | 0 | 0 | 0 | 0 | 110 | I109 | I109-T111 HydrophobicContact CG2-CG2 4.45Š|
| 112 | H | 28.5 | Very low | 27.9 | Very low | 97 Ų | 97 | 120.9 Ų | 120.9 | 45% | 0.449 | 68% | 0.675 | S | S | . | * | | | trans | -107.8 | 110.9 | 176.2 | -62.6 | -55.8 | 0 | 0 | 0 | 111.3 | S110 H114 T120 | S110-H112 PolarHBondContact OG-CE1 3.26Å; S110-H112 PolarHBondContact OG-NE2 2.7Å; H112-H114 PolarHBondContact O-N 2.9Å; H112-T120 VanDerWaalsContact CE1-CG2 3.49Å; H112-T120 WeakPolarHBondContact CE1-CG2 3.25Å; H112-T120 PolarHBondContact CE1-OG1 3.24Å |
| 113 | T | 24.9 | Very low | 27.9 | Very low | 148 Ų | 148 | 124.2 Ų | 124.2 | 91% | 0.908 | 68% | 0.676 | S | S | * | * | | | trans | -77.3 | 105.1 | 160.9 | 15.4 | 0 | 0 | 0 | 0 | 109 | | |
| 114 | H | 27.2 | Very low | 27.9 | Very low | 105 Ų | 105 | 122.7 Ų | 122.7 | 49% | 0.486 | 66% | 0.66 | S | S | . | * | | | trans | -66 | 133.2 | 171.7 | -91.4 | -77.3 | 0 | 0 | 0 | 111.4 | H112 | H112-H114 PolarHBondContact O-N 2.9Š|
| 115 | T | 29.6 | Very low | 27.9 | Very low | 132 Ų | 132 | 122.4 Ų | 122.4 | 81% | 0.81 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -119.1 | 46 | 151.7 | 56.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 116 | T | 28.2 | Very low | 28.1 | Very low | 117 Ų | 117 | 120.6 Ų | 120.6 | 72% | 0.718 | 65% | 0.652 | S | S | * | * | S | Bend | trans | 59.1 | 146.3 | -166.4 | 41.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 117 | T | 29 | Very low | 28 | Very low | 129 Ų | 129 | 121.8 Ų | 121.8 | 79% | 0.791 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 46.8 | 87.6 | 178.9 | 39.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 118 | P | 29 | Very low | 28.1 | Very low | 77 Ų | 77 | 116.3 Ų | 116.3 | 50% | 0.5 | 64% | 0.635 | S | S | . | * | | | trans | -86.6 | 131.8 | -177.2 | 34 | -32.3 | 0 | 0 | 0 | 113.1 | | |
| 119 | W | 27.6 | Very low | 28.3 | Very low | 221 Ų | 221 | 114.9 Ų | 114.9 | 84% | 0.837 | 64% | 0.637 | S | S | * | * | | | trans | -84.4 | 133.6 | 151.4 | -61.1 | 91.5 | 0 | 0 | 0 | 108.2 | | |
| 120 | T | 29.5 | Very low | 28.3 | Very low | 67 Ų | 67 | 110 Ų | 110 | 41% | 0.411 | 62% | 0.616 | S | S | . | * | | | trans | -126 | 97.7 | 177.7 | -65.1 | 0 | 0 | 0 | 0 | 110.5 | H112 V122 | H112-T120 VanDerWaalsContact CE1-CG2 3.49Å; H112-T120 WeakPolarHBondContact CE1-CG2 3.25Å; H112-T120 PolarHBondContact CE1-OG1 3.24Å; T120-V122 HydrophobicContact CG2-CG2 3.83Å |
| 121 | T | 29.2 | Very low | 28.3 | Very low | 101 Ų | 101 | 108.9 Ų | 108.9 | 62% | 0.62 | 61% | 0.612 | S | S | * | * | | | trans | -82.5 | 117.3 | 167.5 | -49.4 | 0 | 0 | 0 | 0 | 109.1 | Y123 | T121-Y123 HydrophobicContact CG2-CD2 4.17Å; T121-Y123 HydrophobicContact CG2-CE1 4.14Å; T121-Y123 HydrophobicContact CG2-CE2 3.58Å |
| 122 | V | 27.2 | Very low | 28.4 | Very low | 102 Ų | 102 | 108.1 Ų | 108.1 | 62% | 0.618 | 61% | 0.61 | S | S | * | * | | | trans | -102.5 | 115 | 174 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | T120 | T120-V122 HydrophobicContact CG2-CG2 3.83Š|
| 123 | Y | 26.2 | Very low | 28.5 | Very low | 184 Ų | 184 | 105.8 Ų | 105.8 | 72% | 0.722 | 60% | 0.6 | S | S | * | * | | | trans | -90.3 | 118.7 | 172.6 | -64.8 | -81.6 | 0 | 0 | 0 | 110.1 | T121 N125 | T121-Y123 HydrophobicContact CG2-CD2 4.17Å; T121-Y123 HydrophobicContact CG2-CE1 4.14Å; T121-Y123 HydrophobicContact CG2-CE2 3.58Å; Y123-N125 PolarHBondContact O-N 3.14Å |
| 124 | I | 28.8 | Very low | 28.8 | Very low | 70 Ų | 70 | 104.8 Ų | 104.8 | 36% | 0.359 | 59% | 0.589 | S | S | . | * | | | trans | -90.1 | 92.2 | 174 | -59.9 | 180 | 0 | 0 | 0 | 108.3 | V126 A142 | I124-V126 HydrophobicContact CG2-CB 4.17Å; I124-V126 HydrophobicContact CG2-CG2 4.3Å; I124-V126 PolarHBondContact O-N 2.99Å; I124-A142 HydrophobicContact CD1-CB 4.43Å; I124-A142 WeakPolarHBondContact CD1-O 3.3Å |
| 125 | N | 26.6 | Very low | 29 | Very low | 150 Ų | 150 | 107.8 Ų | 107.8 | 80% | 0.802 | 61% | 0.609 | S | S | * | * | | | trans | -77.9 | 32.1 | 179.9 | -71.6 | 6.2 | 0 | 0 | 0 | 113.4 | Y123 | Y123-N125 PolarHBondContact O-N 3.14Š|
| 126 | V | 28.4 | Very low | 29 | Very low | 80 Ų | 80 | 104.9 Ų | 104.9 | 49% | 0.485 | 59% | 0.588 | S | S | . | * | S | Bend | trans | -115.6 | 126.9 | -178.1 | -170.6 | 0 | 0 | 0 | 0 | 108.9 | I124 S128 | I124-V126 HydrophobicContact CG2-CB 4.17Å; I124-V126 HydrophobicContact CG2-CG2 4.3Å; I124-V126 PolarHBondContact O-N 2.99Å; V126-S128 PolarHBondContact O-N 3.36Å |
| 127 | P | 27.5 | Very low | 29.1 | Very low | 116 Ų | 116 | 102.5 Ų | 102.5 | 75% | 0.753 | 57% | 0.573 | S | S | * | * | | | trans | -58.1 | 128.3 | 175.2 | -24.5 | 34.4 | 0 | 0 | 0 | 111.5 | T129 | P127-T129 PolarHBondContact O-N 3.33Š|
| 128 | S | 31.1 | Very low | 29.1 | Very low | 28 Ų | 28 | 100 Ų | 100 | 20% | 0.196 | 55% | 0.554 | C | S | . | * | | | trans | -65.3 | 129.5 | 169.7 | -176.5 | 0 | 0 | 0 | 0 | 109.9 | V126 S130 Q140 | V126-S128 PolarHBondContact O-N 3.36Å; S128-S130 VanDerWaalsContact C-N 3.34Å; S128-S130 PolarHBondContact O-N 3.17Å; S128-Q140 VanDerWaalsContact CB-O 3.25Å; S128-Q140 WeakPolarHBondContact CB-O 3.06Å; S128-Q140 WeakPolarHBondContact OG-CA 3.27Å; S128-Q140 PolarHBondContact OG-N 3.33Å; S128-Q140 PolarHBondContact OG-O 3.41Å |
| 129 | T | 31.7 | Very low | 29.2 | Very low | 122 Ų | 122 | 101.2 Ų | 101.2 | 75% | 0.748 | 55% | 0.553 | S | S | * | * | | | trans | -71.1 | 89.4 | 172.6 | 50.5 | 0 | 0 | 0 | 0 | 109.6 | P127 A131 | P127-T129 PolarHBondContact O-N 3.33Å; T129-A131 PolarHBondContact O-N 3.48Å |
| 130 | S | 29.2 | Very low | 29.4 | Very low | 53 Ų | 53 | 94.2 Ų | 94.2 | 37% | 0.371 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 120.8 | 179 | 43.6 | 0 | 0 | 0 | 0 | 111.8 | S128 | S128-S130 VanDerWaalsContact C-N 3.34Å; S128-S130 PolarHBondContact O-N 3.17Å |
| 131 | A | 29 | Very low | 29.3 | Very low | 59 Ų | 59 | 95.9 Ų | 95.9 | 49% | 0.488 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 129.7 | 169 | 0 | 0 | 0 | 0 | 0 | 109.7 | T129 | T129-A131 PolarHBondContact O-N 3.48Å |
| 132 | P | 27.4 | Very low | 29.3 | Very low | 113 Ų | 113 | 93.5 Ų | 93.5 | 73% | 0.734 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 127.2 | 174.7 | 30.9 | -32.5 | 0 | 0 | 0 | 110.8 | | |
| 133 | I | 32.2 | Very low | 29.5 | Very low | 48 Ų | 48 | 93.8 Ų | 93.8 | 25% | 0.246 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 121.4 | 172.6 | -61.9 | 159.9 | 0 | 0 | 0 | 106.9 | I97 N135 I136 | I97-I133 HydrophobicContact CD1-CD1 3.87Å; I97-I133 HydrophobicContact CD1-CG1 4.37Å; I97-I133 HydrophobicContact CD1-CG2 3.84Å; I97-I133 HydrophobicContact CG2-CD1 4.27Å; I133-N135 VanDerWaalsContact C-N 3.33Å; I133-N135 PolarHBondContact O-N 3.03Å; I133-N135 VanDerWaalsContact O-N 3.14Å; I133-I136 PolarHBondContact N-O 3.46Å; I133-I136 VanDerWaalsContact N-O 3.16Å; I133-I136 WeakPolarHBondContact O-CA 3.48Å; I133-I136 WeakPolarHBondContact O-CB 3.41Å; I133-I136 PolarHBondContact O-N 3.48Å |
| 134 | D | 30.9 | Very low | 29.6 | Very low | 126 Ų | 126 | 90.4 Ų | 90.4 | 67% | 0.674 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.7 | 48.8 | 173.9 | -59 | -20.6 | 0 | 0 | 0 | 115.3 | I136 | D134-I136 PolarHBondContact O-N 3.45Š|
| 135 | N | 29.9 | Very low | 29.6 | Very low | 168 Ų | 168 | 90.4 Ų | 90.4 | 90% | 0.898 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 22.2 | -175.5 | -67.1 | -24.3 | 0 | 0 | 0 | 115.4 | I133 | I133-N135 VanDerWaalsContact C-N 3.33Å; I133-N135 PolarHBondContact O-N 3.03Å; I133-N135 VanDerWaalsContact O-N 3.14Å |
| 136 | I | 30 | Very low | 29.7 | Very low | 72 Ų | 72 | 87 Ų | 87 | 37% | 0.369 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125.1 | 170.1 | -56.5 | 180 | 0 | 0 | 0 | 109.2 | I133 D134 I138 | I133-I136 PolarHBondContact N-O 3.46Å; I133-I136 VanDerWaalsContact N-O 3.16Å; I133-I136 WeakPolarHBondContact O-CA 3.48Å; I133-I136 WeakPolarHBondContact O-CB 3.41Å; I133-I136 PolarHBondContact O-N 3.48Å; D134-I136 PolarHBondContact O-N 3.45Å; I136-I138 HydrophobicContact CG2-CG1 4.08Å |
| 137 | T | 30.5 | Very low | 29.8 | Very low | 66 Ų | 66 | 84.5 Ų | 84.5 | 41% | 0.405 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 105.2 | 173.7 | -56.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 138 | I | 29.6 | Very low | 30 | Very low | 78 Ų | 78 | 81.4 Ų | 81.4 | 40% | 0.4 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 121.4 | 174.5 | -53.3 | -179.6 | 0 | 0 | 0 | 108.6 | I136 Q140 | I136-I138 HydrophobicContact CG2-CG1 4.08Å; I138-Q140 HydrophobicContact CG2-CG 3.93Å |
| 139 | H | 30.4 | Very low | 30.2 | Very low | 102 Ų | 102 | 82.2 Ų | 82.2 | 47% | 0.472 | 49% | 0.486 | S | S | . | . | | | trans | -96.5 | 123.2 | 169.2 | -63.7 | -74.3 | 0 | 0 | 0 | 109.1 | | |
| 140 | Q | 31.2 | Very low | 30.3 | Very low | 73 Ų | 73 | 80 Ų | 80 | 34% | 0.341 | 47% | 0.472 | S | S | . | . | | | trans | -117.1 | 97.9 | 178.2 | -64.2 | -173.8 | -6.7 | 0 | 0 | 110.3 | S128 I138 | S128-Q140 VanDerWaalsContact CB-O 3.25Å; S128-Q140 WeakPolarHBondContact CB-O 3.06Å; S128-Q140 WeakPolarHBondContact OG-CA 3.27Å; S128-Q140 PolarHBondContact OG-N 3.33Å; S128-Q140 PolarHBondContact OG-O 3.41Å; I138-Q140 HydrophobicContact CG2-CG 3.93Å |
| 141 | T | 28.4 | Very low | 30.6 | Very low | 103 Ų | 103 | 79.6 Ų | 79.6 | 63% | 0.632 | 47% | 0.468 | S | S | * | . | | | trans | -82.3 | 148.4 | 162.5 | 35.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 142 | A | 29.1 | Very low | 30.9 | Very low | 50 Ų | 50 | 80.3 Ų | 80.3 | 41% | 0.413 | 47% | 0.466 | S | S | . | . | | | trans | -122.6 | 169 | -141.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | I124 | I124-A142 HydrophobicContact CD1-CB 4.43Å; I124-A142 WeakPolarHBondContact CD1-O 3.3Å |
| 143 | C | 30.5 | Very low | 31.1 | Very low | 108 Ų | 108 | 79.4 Ų | 79.4 | 73% | 0.73 | 46% | 0.459 | S | S | * | . | | | trans | 76.2 | 121.6 | 154.2 | -150.6 | 0 | 0 | 0 | 0 | 118.4 | | |
| 144 | H | 29.4 | Very low | 31.1 | Very low | 113 Ų | 113 | 84.2 Ų | 84.2 | 52% | 0.523 | 48% | 0.475 | S | S | . | . | | | trans | -85.5 | 140 | 169.3 | -56.2 | 153.5 | 0 | 0 | 0 | 110.9 | S172 | H144-S172 PolarHBondContact CE1-OG 3.16Å; H144-S172 PolarHBondContact ND1-OG 3.21Å; H144-S172 VanDerWaalsContact ND1-OG 3.16Å |
| 145 | A | 28.1 | Very low | 30.9 | Very low | 71 Ų | 71 | 83.3 Ų | 83.3 | 59% | 0.587 | 48% | 0.479 | S | S | * | . | | | trans | -124.1 | 106.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | H49 A169 | H49-A145 PolarHBondContact NE2-O 3.16Å; A145-A169 HydrophobicContact CB-CB 4.4Å |
| 146 | I | 29.1 | Very low | 31 | Very low | 78 Ų | 78 | 80.2 Ų | 80.2 | 40% | 0.4 | 46% | 0.461 | S | S | . | . | | | trans | -77.9 | 134.4 | 170.9 | -59 | -174.4 | 0 | 0 | 0 | 108.9 | I168 H170 | I146-I168 CarbonylContact O-C 3.38Å; I146-I168 PolarHBondContact O-N 3.46Å; I146-I168 VanDerWaalsContact O-O 3.05Å; I146-H170 HydrophobicContact CD1-CB 4.16Å |
| 147 | S | 30.3 | Very low | 31.1 | Very low | 27 Ų | 27 | 82.5 Ų | 82.5 | 19% | 0.189 | 48% | 0.479 | C | S | . | . | | | trans | -97.8 | 120.5 | 172.2 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | N167 | S147-N167 PolarHBondContact OG-OD1 3.23Š|
| 148 | T | 32.1 | Very low | 31.2 | Very low | 52 Ų | 52 | 86.8 Ų | 86.8 | 32% | 0.319 | 50% | 0.499 | S | S | . | . | | | trans | -110.9 | 106.1 | 172.8 | -52.1 | 0 | 0 | 0 | 0 | 107.8 | T150 T166 | T148-T150 PolarHBondContact O-N 3.46Å; T148-T166 CarbonylContact O-C 3.15Å; T148-T166 PolarHBondContact O-N 3.45Å |
| 149 | T | 34.8 | Very low | 31.3 | Very low | 45 Ų | 45 | 88.9 Ų | 88.9 | 28% | 0.276 | 52% | 0.515 | S | S | . | . | | | trans | -93 | 95.7 | 175.1 | -61.8 | 0 | 0 | 0 | 0 | 109.5 | T151 | T149-T151 PolarHBondContact O-N 3.21Š|
| 150 | T | 35 | Very low | 31.5 | Very low | 74 Ų | 74 | 90.8 Ų | 90.8 | 45% | 0.454 | 53% | 0.534 | S | S | . | . | | | trans | -83.5 | 92.9 | 172.8 | -50.4 | 0 | 0 | 0 | 0 | 109.9 | T148 T152 | T148-T150 PolarHBondContact O-N 3.46Å; T150-T152 PolarHBondContact O-N 2.82Å |
| 151 | T | 35.7 | Very low | 31.6 | Very low | 46 Ų | 46 | 91.4 Ų | 91.4 | 28% | 0.282 | 54% | 0.539 | S | S | . | . | | | trans | -76.3 | 111 | 173.4 | -52.9 | 0 | 0 | 0 | 0 | 110.2 | T149 | T149-T151 PolarHBondContact O-N 3.21Š|
| 152 | T | 34.9 | Very low | 31.8 | Very low | 73 Ų | 73 | 91 Ų | 91 | 45% | 0.448 | 55% | 0.547 | S | S | . | . | | | trans | -103.4 | 100.9 | 173.6 | -49.5 | 0 | 0 | 0 | 0 | 110.2 | T150 Y154 | T150-T152 PolarHBondContact O-N 2.82Å; T152-Y154 HydrophobicContact CG2-CD2 4.3Å; T152-Y154 HydrophobicContact CG2-CE1 4.27Å; T152-Y154 HydrophobicContact CG2-CE2 3.58Å |
| 153 | T | 30.5 | Very low | 32 | Very low | 95 Ų | 95 | 94.1 Ų | 94.1 | 58% | 0.583 | 56% | 0.556 | S | S | * | * | | | trans | -86.6 | 111.8 | -177.8 | -50.9 | 0 | 0 | 0 | 0 | 111.4 | I161 | T153-I161 HydrophobicContact CG2-CD1 4.04Š|
| 154 | Y | 31.9 | Very low | 32.2 | Very low | 148 Ų | 148 | 94 Ų | 94 | 58% | 0.58 | 55% | 0.553 | S | S | * | * | | | trans | -94.3 | 121.1 | 173.9 | -64.1 | -83.8 | 0 | 0 | 0 | 111.2 | T152 I156 I161 | T152-Y154 HydrophobicContact CG2-CD2 4.3Å; T152-Y154 HydrophobicContact CG2-CE1 4.27Å; T152-Y154 HydrophobicContact CG2-CE2 3.58Å; Y154-I156 PolarHBondContact O-N 2.76Å; Y154-I161 VanDerWaalsContact O-CD1 3.28Å; Y154-I161 WeakPolarHBondContact O-CD1 3.37Å |
| 155 | S | 27.7 | Very low | 32.4 | Very low | 107 Ų | 107 | 90.7 Ų | 90.7 | 75% | 0.748 | 54% | 0.542 | S | S | * | . | | | trans | -78.7 | 101.2 | 173 | -172.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 156 | I | 31.4 | Very low | 32.6 | Very low | 103 Ų | 103 | 90 Ų | 90 | 53% | 0.528 | 53% | 0.53 | S | S | . | . | | | trans | -125.3 | 136.9 | 170.2 | -58.9 | 179.2 | 0 | 0 | 0 | 107.7 | I62 Y154 N158 | I62-I156 HydrophobicContact CG2-CG1 4.24Å; Y154-I156 PolarHBondContact O-N 2.76Å; I156-N158 PolarHBondContact O-N 3.37Å |
| 157 | T | 33.2 | Very low | 32.7 | Very low | 121 Ų | 121 | 89.6 Ų | 89.6 | 74% | 0.742 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 116.7 | -165.2 | -35.7 | 0 | 0 | 0 | 0 | 113 | | |
| 158 | N | 31.6 | Very low | 32.7 | Very low | 155 Ų | 155 | 91.7 Ų | 91.7 | 83% | 0.829 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 46.1 | 164.5 | -59.3 | -6.1 | 0 | 0 | 0 | 117 | I156 | I156-N158 PolarHBondContact O-N 3.37Š|
| 159 | T | 32.7 | Very low | 32.6 | Very low | 122 Ų | 122 | 91.2 Ų | 91.2 | 75% | 0.748 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -153.2 | 160.7 | 160.1 | -12 | 0 | 0 | 0 | 0 | 113.5 | | |
| 160 | T | 34 | Very low | 32.4 | Very low | 142 Ų | 142 | 94.4 Ų | 94.4 | 87% | 0.871 | 55% | 0.55 | S | S | * | * | | | trans | -64.8 | 134.9 | -168.4 | -46.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 161 | I | 32.6 | Very low | 32.3 | Very low | 86 Ų | 86 | 97.3 Ų | 97.3 | 44% | 0.441 | 56% | 0.559 | S | S | . | * | | | trans | -93.8 | 139.5 | 175.7 | -58.4 | 171.4 | 0 | 0 | 0 | 110.3 | T153 Y154 | T153-I161 HydrophobicContact CG2-CD1 4.04Å; Y154-I161 VanDerWaalsContact O-CD1 3.28Å; Y154-I161 WeakPolarHBondContact O-CD1 3.37Å |
| 162 | A | 32.5 | Very low | 32.1 | Very low | 96 Ų | 96 | 97.4 Ų | 97.4 | 79% | 0.793 | 56% | 0.561 | S | S | * | * | | | trans | -110.4 | 136.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 163 | N | 33.9 | Very low | 31.8 | Very low | 114 Ų | 114 | 98.5 Ų | 98.5 | 61% | 0.61 | 57% | 0.572 | S | S | * | * | | | trans | -99.3 | 144.5 | -174.8 | -65.6 | -30.7 | 0 | 0 | 0 | 112.2 | | |
| 164 | T | 34.9 | Very low | 31.7 | Very low | 107 Ų | 107 | 100.3 Ų | 100.3 | 66% | 0.656 | 58% | 0.578 | S | S | * | * | | | trans | -116.1 | 140.1 | 174.4 | -41.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 165 | S | 33.5 | Very low | 31.5 | Very low | 43 Ų | 43 | 99.1 Ų | 99.1 | 30% | 0.301 | 57% | 0.574 | S | S | . | * | | | trans | -113 | 147.5 | -179.8 | 55.7 | 0 | 0 | 0 | 0 | 112 | | |
| 166 | T | 32.5 | Very low | 31.6 | Very low | 55 Ų | 55 | 98.4 Ų | 98.4 | 34% | 0.337 | 57% | 0.569 | S | S | . | * | | | trans | -132.5 | 68.3 | -166.5 | -59.6 | 0 | 0 | 0 | 0 | 111.2 | K71 T148 I168 | K71-T166 VanDerWaalsContact NZ-CG2 3.31Å; T148-T166 CarbonylContact O-C 3.15Å; T148-T166 PolarHBondContact O-N 3.45Å; T166-I168 PolarHBondContact O-N 3.36Å |
| 167 | N | 31.5 | Very low | 31.4 | Very low | 70 Ų | 70 | 99.9 Ų | 99.9 | 37% | 0.374 | 57% | 0.568 | S | S | . | * | | | trans | -53.5 | 131.9 | 176.3 | -55.9 | 3.4 | 0 | 0 | 0 | 111.6 | K71 S147 | K71-N167 PolarHBondContact NZ-O 3.32Å; S147-N167 PolarHBondContact OG-OD1 3.23Å |
| 168 | I | 30.8 | Very low | 31.2 | Very low | 72 Ų | 72 | 101 Ų | 101 | 37% | 0.369 | 57% | 0.57 | S | S | . | * | | | trans | -133 | 104.9 | 176.5 | -61.1 | 173.1 | 0 | 0 | 0 | 107 | I146 T166 H170 | I146-I168 CarbonylContact O-C 3.38Å; I146-I168 PolarHBondContact O-N 3.46Å; I146-I168 VanDerWaalsContact O-O 3.05Å; T166-I168 PolarHBondContact O-N 3.36Å; I168-H170 WeakPolarHBondContact CG2-NE2 3.49Å; I168-H170 PolarHBondContact O-CD2 3.44Å; I168-H170 PolarHBondContact O-N 3.48Å |
| 169 | A | 29.7 | Very low | 31.2 | Very low | 41 Ų | 41 | 99.7 Ų | 99.7 | 34% | 0.339 | 56% | 0.563 | S | S | . | * | | | trans | -72.4 | 110.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110 | A145 | A145-A169 HydrophobicContact CB-CB 4.4Š|
| 170 | H | 29.9 | Very low | 31.1 | Very low | 112 Ų | 112 | 99.1 Ų | 99.1 | 52% | 0.519 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -92.7 | 127.9 | 166.5 | -69.5 | -93 | 0 | 0 | 0 | 109.3 | I146 I168 | I146-H170 HydrophobicContact CD1-CB 4.16Å; I168-H170 WeakPolarHBondContact CG2-NE2 3.49Å; I168-H170 PolarHBondContact O-CD2 3.44Å; I168-H170 PolarHBondContact O-N 3.48Å |
| 171 | Q | 32.9 | Very low | 30.9 | Very low | 135 Ų | 135 | 97.8 Ų | 97.8 | 63% | 0.631 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 120.4 | 170.4 | -173.4 | 175.5 | 1.1 | 0 | 0 | 109.2 | | |
| 172 | S | 30.6 | Very low | 30.6 | Very low | 49 Ų | 49 | 101.4 Ų | 101.4 | 34% | 0.343 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -82.9 | 131.1 | 168.8 | 53.1 | 0 | 0 | 0 | 0 | 109.8 | H144 | H144-S172 PolarHBondContact CE1-OG 3.16Å; H144-S172 PolarHBondContact ND1-OG 3.21Å; H144-S172 VanDerWaalsContact ND1-OG 3.16Å |
| 173 | S | 29.5 | Very low | 30.5 | Very low | 96 Ų | 96 | 102.3 Ų | 102.3 | 67% | 0.671 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 151.1 | -173.1 | -48.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 174 | D | 28.6 | Very low | 30.2 | Very low | 133 Ų | 133 | 102.7 Ų | 102.7 | 71% | 0.711 | 57% | 0.566 | S | S | * | * | | | trans | 31.5 | 106.3 | 147.9 | -53.7 | -3.6 | 0 | 0 | 0 | 119 | | |
| 175 | Y | 28 | Very low | 29.7 | Very low | 123 Ų | 123 | 104.3 Ų | 104.3 | 48% | 0.482 | 58% | 0.576 | S | S | . | * | | | trans | -104.3 | 129.6 | 162.9 | -69.2 | -92.3 | 0 | 0 | 0 | 110.6 | | |
| 176 | S | 29.2 | Very low | 29.4 | Very low | 92 Ų | 92 | 107 Ų | 107 | 64% | 0.643 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 130.1 | 171.3 | 59.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 177 | Y | 27.7 | Very low | 29 | Very low | 134 Ų | 134 | 110.7 Ų | 110.7 | 53% | 0.525 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -92.8 | 137.9 | 174.8 | -64.5 | -88 | 0 | 0 | 0 | 111.2 | L190 | Y177-L190 HydrophobicContact CE1-CD2 3.7Š|
| 178 | D | 29.1 | Very low | 28.8 | Very low | 144 Ų | 144 | 112.1 Ų | 112.1 | 77% | 0.77 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 140.2 | 166.4 | -166 | 5.7 | 0 | 0 | 0 | 110 | T180 | D178-T180 PolarHBondContact O-N 3.3Š|
| 179 | N | 31.1 | Very low | 28.5 | Very low | 128 Ų | 128 | 113.8 Ų | 113.8 | 68% | 0.684 | 63% | 0.633 | S | S | * | * | | | trans | -96.7 | 83.1 | -168.5 | -173.2 | 1.8 | 0 | 0 | 0 | 111.1 | | |
| 180 | T | 30 | Very low | 28.3 | Very low | 110 Ų | 110 | 114.7 Ų | 114.7 | 68% | 0.675 | 63% | 0.632 | S | S | * | * | | | trans | -120.3 | 101.3 | 176.8 | 42.4 | 0 | 0 | 0 | 0 | 113.4 | D178 | D178-T180 PolarHBondContact O-N 3.3Š|
| 181 | T | 30.4 | Very low | 28 | Very low | 114 Ų | 114 | 119 Ų | 119 | 70% | 0.699 | 64% | 0.643 | S | S | * | * | | | trans | 53.9 | 99.5 | 146 | -44.6 | 0 | 0 | 0 | 0 | 118.3 | T183 | T181-T183 PolarHBondContact O-N 3.21Š|
| 182 | K | 26.9 | Very low | 27.7 | Very low | 161 Ų | 161 | 115.5 Ų | 115.5 | 70% | 0.7 | 63% | 0.634 | S | S | * | * | | | trans | -57.1 | 115.9 | 160.6 | -81.6 | 178 | 173.7 | 170.6 | 0 | 111.3 | | |
| 183 | T | 29.9 | Very low | 27.4 | Very low | 116 Ų | 116 | 120.3 Ų | 120.3 | 71% | 0.712 | 66% | 0.656 | S | S | * | * | | | trans | -116 | 163.2 | 151.9 | 50 | 0 | 0 | 0 | 0 | 109.8 | T181 | T181-T183 PolarHBondContact O-N 3.21Š|
| 184 | T | 27.4 | Very low | 27.3 | Very low | 122 Ų | 122 | 121.5 Ų | 121.5 | 75% | 0.748 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -66.8 | 142.6 | -170.4 | 44.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 185 | T | 25.2 | Very low | 27.3 | Very low | 140 Ų | 140 | 121.2 Ų | 121.2 | 86% | 0.859 | 65% | 0.647 | S | S | * | * | S | Bend | trans | 55.9 | 68.2 | 163 | 51.2 | 0 | 0 | 0 | 0 | 116.4 | | |
| 186 | T | 26.3 | Very low | 27.1 | Very low | 99 Ų | 99 | 120.9 Ų | 120.9 | 61% | 0.607 | 66% | 0.66 | S | S | * | * | | | trans | -142.6 | 131.1 | 160 | -40.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 187 | D | 24.9 | Very low | 26.9 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 71% | 0.711 | 67% | 0.67 | S | S | * | * | | | trans | -79.4 | 128.8 | 166 | -74.5 | -52.9 | 0 | 0 | 0 | 110.2 | V189 | D187-V189 PolarHBondContact O-N 3.36Š|
| 188 | V | 25.9 | Very low | 26.7 | Very low | 101 Ų | 101 | 124.9 Ų | 124.9 | 61% | 0.612 | 68% | 0.682 | S | S | * | * | | | trans | -88.5 | 111.6 | -176.6 | -180 | 0 | 0 | 0 | 0 | 109.8 | L190 | V188-L190 PolarHBondContact O-N 3.1Š|
| 189 | V | 25.3 | Very low | 26.5 | Very low | 107 Ų | 107 | 124.7 Ų | 124.7 | 65% | 0.648 | 68% | 0.68 | S | S | * | * | | | trans | -79.9 | 115.1 | 178.1 | -177.2 | 0 | 0 | 0 | 0 | 110 | D187 | D187-V189 PolarHBondContact O-N 3.36Š|
| 190 | L | 26.2 | Very low | 26.2 | Very low | 59 Ų | 59 | 125.6 Ų | 125.6 | 31% | 0.309 | 68% | 0.679 | S | S | . | * | | | trans | -75.1 | 142.4 | 169.2 | -49.3 | 179 | 0 | 0 | 0 | 110.2 | Y47 Y177 V188 | Y47-L190 WeakPolarHBondContact OH-CA 3.48Å; Y47-L190 VanDerWaalsContact OH-CB 3.3Å; Y47-L190 WeakPolarHBondContact OH-CB 3.28Å; Y47-L190 PolarHBondContact OH-N 3.47Å; Y47-L190 PolarHBondContact OH-O 3.22Å; Y177-L190 HydrophobicContact CE1-CD2 3.7Å; V188-L190 PolarHBondContact O-N 3.1Å |
| 191 | W | 23.6 | Very low | 25.9 | Very low | 202 Ų | 202 | 130.4 Ų | 130.4 | 77% | 0.765 | 69% | 0.685 | S | S | * | * | | | trans | -109.7 | 156.6 | 178.1 | -79.3 | 19.1 | 0 | 0 | 0 | 111.2 | | |
| 192 | S | 25.8 | Very low | 25.7 | Very low | 62 Ų | 62 | 130.7 Ų | 130.7 | 43% | 0.434 | 68% | 0.683 | S | S | . | * | | | trans | -129.3 | 140.9 | 157.3 | 171.3 | 0 | 0 | 0 | 0 | 108.7 | D194 | S192-D194 VanDerWaalsContact C-N 3.32Å; S192-D194 PolarHBondContact O-N 3.23Å |
| 193 | N | 25.2 | Very low | 25.5 | Very low | 150 Ų | 150 | 132.8 Ų | 132.8 | 80% | 0.802 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -10 | -174.4 | -74.9 | -31.7 | 0 | 0 | 0 | 114 | | |
| 194 | D | 27.3 | Very low | 25.3 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 65% | 0.652 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -7.4 | -164.7 | -65.3 | -36.2 | 0 | 0 | 0 | 115.4 | S192 | S192-D194 VanDerWaalsContact C-N 3.32Å; S192-D194 PolarHBondContact O-N 3.23Å |
| 195 | F | 27.3 | Very low | 25.3 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 56% | 0.557 | 69% | 0.691 | S | S | * | * | | | trans | -134.1 | 111.5 | -178.9 | -74 | -80.6 | 0 | 0 | 0 | 113.7 | | |
| 196 | P | 23.4 | Very low | 25.4 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 75% | 0.753 | 71% | 0.709 | S | S | * | * | | | trans | -80.1 | 136.5 | 178.5 | 31.4 | -34 | 0 | 0 | 0 | 112.9 | | |
| 197 | K | 26.4 | Very low | 25.4 | Very low | 193 Ų | 193 | 141.3 Ų | 141.3 | 84% | 0.839 | 71% | 0.714 | S | S | * | * | | | trans | 89.2 | 91.9 | 162.2 | -54.9 | 167.7 | -177.2 | 174.7 | 0 | 119.2 | | |
| 198 | C | 23 | Very low | 25.4 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 78% | 0.784 | 71% | 0.714 | S | S | * | * | | | | 78.9 | 176.5 | 122.7 | -151.9 | 0 | 0 | 0 | 0 | 119.4 | | |
| 199 | I | 24.4 | Very low | 25.3 | Very low | 141 Ų | 141 | 144 Ų | 144 | 72% | 0.723 | 72% | 0.72 | S | S | * | * | | | trans | 78.9 | 128.2 | 169.3 | -58.9 | 171 | 0 | 0 | 0 | 115 | | |
| 200 | H | 25.6 | Very low | 25.3 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 68% | 0.676 | 72% | 0.724 | S | S | * | * | | | cis | -165.5 | 153.8 | -17.3 | -106.6 | 158.8 | 0 | 0 | 0 | 111.7 | | |
| 201 | R | 24 | Very low | 25.3 | Very low | 211 Ų | 211 | 151.6 Ų | 151.6 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | | | trans | 18.3 | 147 | 131.5 | -79.7 | -177.7 | -178.4 | -139.7 | 5.9 | 120.4 | | |
| 202 | N | 25.6 | Very low | 25.4 | Very low | 121 Ų | 121 | 148.3 Ų | 148.3 | 65% | 0.647 | 75% | 0.749 | S | S | * | * | | | cis | -150 | 170.1 | 6.9 | -58.8 | -72.1 | 0 | 0 | 0 | 110.3 | | |
| 203 | Q | 23.7 | Very low | 25.4 | Very low | 205 Ų | 205 | 154.4 Ų | 154.4 | 96% | 0.958 | 77% | 0.771 | S | S | * | * | | | trans | -125.2 | 156.3 | 134.2 | -80.6 | -164.8 | -13.7 | 0 | 0 | 109.8 | | |
| 204 | H | 25.1 | Very low | 25.4 | Very low | 156 Ų | 156 | 154.8 Ų | 154.8 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | | | trans | -153.3 | 116.3 | -167.5 | 165.9 | -71.9 | 0 | 0 | 0 | 111.3 | | |
| 205 | I | 26.6 | Very low | 25.2 | Very low | 126 Ų | 126 | 157.5 Ų | 157.5 | 65% | 0.646 | 78% | 0.779 | S | S | * | * | | | trans | 59 | 109.9 | 158.5 | -56.7 | -171.1 | 0 | 0 | 0 | 116.9 | | |
| 206 | D | 27.9 | Very low | 25.1 | Very low | 232 Ų | 232 | 160.3 Ų | 160.3 | 100% | 1.241 | 80% | 0.799 | S | S | * | * | | | | -92.9 | 0 | 95.2 | -80.9 | -41.1 | 0 | 0 | 0 | 108.7 | | |