| 1 | M | 63.8 | Low | 80.5 | Confident | 204 Ų | 204 | 118.8 Ų | 118.8 | 100% | 1.005 | 62% | 0.623 | S | S | * | * | | | | 0 | -43.9 | 0 | -65.7 | -174.2 | 177.3 | 0 | 0 | 113.5 | S3 F4 L5 | M1-S3 PolarHBondContact O-N 3.32Å; M1-F4 PolarHBondContact O-N 3.47Å; M1-L5 PolarHBondContact O-N 3.38Å |
| 2 | K | 72.1 | Confident | 80.8 | Confident | 193 Ų | 193 | 113.8 Ų | 113.8 | 84% | 0.839 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -59.3 | -41.6 | 178.9 | -89 | 176.8 | 172.3 | 175 | 0 | 115 | L5 L6 | K2-L5 PolarHBondContact O-N 2.95Å; K2-L6 PolarHBondContact O-N 3.3Å |
| 3 | S | 75.1 | Confident | 80.9 | Confident | 87 Ų | 87 | 114.5 Ų | 114.5 | 61% | 0.608 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.7 | -38.9 | 178 | 49.1 | 0 | 0 | 0 | 0 | 112.7 | M1 L6 V7 | M1-S3 PolarHBondContact O-N 3.32Å; S3-L6 WeakPolarHBondContact O-CB 3.39Å; S3-L6 PolarHBondContact O-N 3.27Å; S3-V7 WeakPolarHBondContact O-CG2 3.48Å; S3-V7 PolarHBondContact O-N 3.05Å |
| 4 | F | 80.6 | Confident | 80.9 | Confident | 147 Ų | 147 | 110.2 Ų | 110.2 | 65% | 0.645 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.7 | -45.5 | 178.3 | -173.4 | -96.3 | 0 | 0 | 0 | 111.8 | M1 L6 V7 V8 | M1-F4 PolarHBondContact O-N 3.47Å; F4-L6 VanDerWaalsContact C-N 3.26Å; F4-L6 PolarHBondContact O-N 3.43Å; F4-V7 PolarHBondContact O-N 3.12Å; F4-V8 HydrophobicContact CD1-CG2 4.11Å; F4-V8 HydrophobicContact CE1-CG2 3.8Å; F4-V8 HydrophobicContact CZ-CG2 4.11Å; F4-V8 VanDerWaalsContact O-CG2 3.31Å; F4-V8 WeakPolarHBondContact O-CG2 3.36Å; F4-V8 PolarHBondContact O-N 3.49Å |
| 5 | L | 82.2 | Confident | 80.6 | Confident | 110 Ų | 110 | 109.2 Ų | 109.2 | 58% | 0.576 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.7 | -34.4 | 176.1 | -67.7 | 173.6 | 0 | 0 | 0 | 112.4 | M1 K2 N9 | M1-L5 PolarHBondContact O-N 3.38Å; K2-L5 PolarHBondContact O-N 2.95Å; L5-N9 WeakPolarHBondContact O-CB 3.35Å; L5-N9 PolarHBondContact O-N 3.37Å |
| 6 | L | 84.9 | Confident | 80.3 | Confident | 110 Ų | 110 | 107.2 Ų | 107.2 | 58% | 0.576 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.4 | -45.9 | 177.5 | -154.6 | 163.7 | 0 | 0 | 0 | 110.9 | K2 S3 F4 V8 N9 V10 | K2-L6 PolarHBondContact O-N 3.3Å; S3-L6 WeakPolarHBondContact O-CB 3.39Å; S3-L6 PolarHBondContact O-N 3.27Å; F4-L6 VanDerWaalsContact C-N 3.26Å; F4-L6 PolarHBondContact O-N 3.43Å; L6-V8 PolarHBondContact O-N 3.07Å; L6-N9 PolarHBondContact O-N 3.08Å; L6-V10 HydrophobicContact CD2-CG2 3.92Å; L6-V10 WeakPolarHBondContact O-CG2 3.28Å; L6-V10 PolarHBondContact O-N 3.22Å |
| 7 | V | 85.3 | Confident | 79.6 | Confident | 96 Ų | 96 | 109.7 Ų | 109.7 | 58% | 0.582 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.7 | -43.1 | 176.7 | 175 | 0 | 0 | 0 | 0 | 111.3 | S3 F4 N9 V10 L11 | S3-V7 WeakPolarHBondContact O-CG2 3.48Å; S3-V7 PolarHBondContact O-N 3.05Å; F4-V7 PolarHBondContact O-N 3.12Å; V7-N9 VanDerWaalsContact C-N 3.34Å; V7-N9 PolarHBondContact O-N 3.41Å; V7-V10 PolarHBondContact O-N 2.93Å; V7-L11 WeakPolarHBondContact O-CB 3.37Å; V7-L11 PolarHBondContact O-N 3.49Å |
| 8 | V | 85.5 | Confident | 78.9 | Confident | 66 Ų | 66 | 109.8 Ų | 109.8 | 40% | 0.4 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.5 | -40.4 | 177.2 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | F4 L6 L11 A12 | F4-V8 HydrophobicContact CD1-CG2 4.11Å; F4-V8 HydrophobicContact CE1-CG2 3.8Å; F4-V8 HydrophobicContact CZ-CG2 4.11Å; F4-V8 VanDerWaalsContact O-CG2 3.31Å; F4-V8 WeakPolarHBondContact O-CG2 3.36Å; F4-V8 PolarHBondContact O-N 3.49Å; L6-V8 PolarHBondContact O-N 3.07Å; V8-L11 PolarHBondContact O-N 3.12Å; V8-A12 VanDerWaalsContact O-CB 3.29Å; V8-A12 WeakPolarHBondContact O-CB 3.09Å; V8-A12 PolarHBondContact O-N 3.27Å |
| 9 | N | 84.6 | Confident | 77.9 | Confident | 117 Ų | 117 | 107.1 Ų | 107.1 | 63% | 0.626 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.6 | -41.9 | 176.8 | -90.3 | -11.1 | 0 | 0 | 0 | 112.9 | L5 L6 V7 L11 A12 L13 | L5-N9 WeakPolarHBondContact O-CB 3.35Å; L5-N9 PolarHBondContact O-N 3.37Å; L6-N9 PolarHBondContact O-N 3.08Å; V7-N9 VanDerWaalsContact C-N 3.34Å; V7-N9 PolarHBondContact O-N 3.41Å; N9-L11 VanDerWaalsContact C-N 3.34Å; N9-A12 PolarHBondContact O-N 3.38Å; N9-L13 WeakPolarHBondContact O-CB 3.37Å; N9-L13 PolarHBondContact O-N 3.43Å |
| 10 | V | 86.1 | Confident | 77.1 | Confident | 78 Ų | 78 | 103.8 Ų | 103.8 | 47% | 0.473 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.5 | -44.3 | 176 | 173.1 | 0 | 0 | 0 | 0 | 110.1 | L6 V7 A12 L13 T14 | L6-V10 HydrophobicContact CD2-CG2 3.92Å; L6-V10 WeakPolarHBondContact O-CG2 3.28Å; L6-V10 PolarHBondContact O-N 3.22Å; V7-V10 PolarHBondContact O-N 2.93Å; V10-A12 PolarHBondContact O-N 3.41Å; V10-L13 PolarHBondContact O-N 3.22Å; V10-T14 HydrophobicContact CG1-CG2 4.43Å; V10-T14 WeakPolarHBondContact O-CG2 3.31Å; V10-T14 PolarHBondContact O-N 3.49Å; V10-T14 PolarHBondContact O-OG1 2.79Å; V10-T14 VanDerWaalsContact O-OG1 3.14Å |
| 11 | L | 85.4 | Confident | 76 | Confident | 99 Ų | 99 | 105 Ų | 105 | 52% | 0.518 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.6 | -46.4 | 179 | -167.9 | 67.4 | 0 | 0 | 0 | 111.5 | V7 V8 N9 L13 T14 L15 | V7-L11 WeakPolarHBondContact O-CB 3.37Å; V7-L11 PolarHBondContact O-N 3.49Å; V8-L11 PolarHBondContact O-N 3.12Å; N9-L11 VanDerWaalsContact C-N 3.34Å; L11-L13 VanDerWaalsContact C-N 3.27Å; L11-L13 PolarHBondContact O-N 3.36Å; L11-T14 PolarHBondContact O-N 3.24Å; L11-T14 VanDerWaalsContact O-N 3.17Å; L11-T14 PolarHBondContact O-OG1 2.96Å; L11-T14 VanDerWaalsContact O-OG1 3.07Å; L11-L15 HydrophobicContact CG-CD1 4.02Å; L11-L15 HydrophobicContact CG-CG 4.34Å; L11-L15 VanDerWaalsContact O-CG 3.28Å; L11-L15 WeakPolarHBondContact O-CG 3.38Å; L11-L15 PolarHBondContact O-N 2.95Å |
| 12 | A | 84 | Confident | 75.6 | Confident | 59 Ų | 59 | 100.1 Ų | 100.1 | 49% | 0.488 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.9 | -35.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V8 N9 V10 P16 | V8-A12 VanDerWaalsContact O-CB 3.29Å; V8-A12 WeakPolarHBondContact O-CB 3.09Å; V8-A12 PolarHBondContact O-N 3.27Å; N9-A12 PolarHBondContact O-N 3.38Å; V10-A12 PolarHBondContact O-N 3.41Å; A12-P16 VanDerWaalsContact O-CD 3.24Å; A12-P16 WeakPolarHBondContact O-CD 3.44Å |
| 13 | L | 81.9 | Confident | 74.8 | Confident | 123 Ų | 123 | 98.5 Ų | 98.5 | 64% | 0.644 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -69.8 | -38.6 | 175.9 | -163.7 | 86 | 0 | 0 | 0 | 111.7 | N9 V10 L11 F17 | N9-L13 WeakPolarHBondContact O-CB 3.37Å; N9-L13 PolarHBondContact O-N 3.43Å; V10-L13 PolarHBondContact O-N 3.22Å; L11-L13 VanDerWaalsContact C-N 3.27Å; L11-L13 PolarHBondContact O-N 3.36Å; L13-F17 WeakPolarHBondContact O-CD2 3.17Å; L13-F17 WeakPolarHBondContact O-CE2 3.24Å |
| 14 | T | 81.4 | Confident | 73.8 | Confident | 54 Ų | 54 | 100.3 Ų | 100.3 | 33% | 0.331 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -86 | -27.3 | -173.2 | 57.4 | 0 | 0 | 0 | 0 | 115.2 | V10 L11 F17 L18 | V10-T14 HydrophobicContact CG1-CG2 4.43Å; V10-T14 WeakPolarHBondContact O-CG2 3.31Å; V10-T14 PolarHBondContact O-N 3.49Å; V10-T14 PolarHBondContact O-OG1 2.79Å; V10-T14 VanDerWaalsContact O-OG1 3.14Å; L11-T14 PolarHBondContact O-N 3.24Å; L11-T14 VanDerWaalsContact O-N 3.17Å; L11-T14 PolarHBondContact O-OG1 2.96Å; L11-T14 VanDerWaalsContact O-OG1 3.07Å; T14-F17 PolarHBondContact O-N 2.73Å; T14-L18 PolarHBondContact O-N 2.92Å; T14-L18 VanDerWaalsContact O-N 3.08Å |
| 15 | L | 76.8 | Confident | 72.6 | Confident | 95 Ų | 95 | 101.1 Ų | 101.1 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -56.6 | -44.4 | -179.1 | -81.7 | 166.4 | 0 | 0 | 0 | 114.9 | L11 F17 L18 A19 | L11-L15 HydrophobicContact CG-CD1 4.02Å; L11-L15 HydrophobicContact CG-CG 4.34Å; L11-L15 VanDerWaalsContact O-CG 3.28Å; L11-L15 WeakPolarHBondContact O-CG 3.38Å; L11-L15 PolarHBondContact O-N 2.95Å; L15-F17 VanDerWaalsContact C-N 3.31Å; L15-F17 PolarHBondContact O-N 2.92Å; L15-L18 PolarHBondContact O-N 3.49Å; L15-A19 WeakPolarHBondContact O-CB 3.4Å; L15-A19 PolarHBondContact O-N 2.97Å |
| 16 | P | 75.4 | Confident | 71 | Confident | 77 Ų | 77 | 104.4 Ų | 104.4 | 50% | 0.5 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.4 | -30.5 | 178.4 | 22.6 | -30.8 | 0 | 0 | 0 | 113 | A12 A20 | A12-P16 VanDerWaalsContact O-CD 3.24Å; A12-P16 WeakPolarHBondContact O-CD 3.44Å; P16-A20 WeakPolarHBondContact O-CB 3.29Å; P16-A20 PolarHBondContact O-N 3.05Å |
| 17 | F | 68.9 | Low | 69.3 | Low | 150 Ų | 150 | 106.9 Ų | 106.9 | 66% | 0.658 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -72 | -39.2 | 175.5 | -66.5 | -81.4 | 0 | 0 | 0 | 111.9 | L13 T14 L15 A20 E21 | L13-F17 WeakPolarHBondContact O-CD2 3.17Å; L13-F17 WeakPolarHBondContact O-CE2 3.24Å; T14-F17 PolarHBondContact O-N 2.73Å; L15-F17 VanDerWaalsContact C-N 3.31Å; L15-F17 PolarHBondContact O-N 2.92Å; F17-A20 PolarHBondContact O-N 3.19Å; F17-E21 PolarHBondContact O-N 3.36Å; F17-E21 VanDerWaalsContact O-N 3.12Å |
| 18 | L | 66.3 | Low | 67.6 | Low | 111 Ų | 111 | 106.8 Ų | 106.8 | 58% | 0.581 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.4 | -37.4 | 172.7 | -78 | 164.9 | 0 | 0 | 0 | 112.4 | T14 L15 E21 V22 | T14-L18 PolarHBondContact O-N 2.92Å; T14-L18 VanDerWaalsContact O-N 3.08Å; L15-L18 PolarHBondContact O-N 3.49Å; L18-E21 PolarHBondContact O-N 3.27Å; L18-V22 PolarHBondContact O-N 3.44Å |
| 19 | A | 60.4 | Low | 66.2 | Low | 59 Ų | 59 | 108.7 Ų | 108.7 | 49% | 0.488 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69 | -34.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L15 Q23 | L15-A19 WeakPolarHBondContact O-CB 3.4Å; L15-A19 PolarHBondContact O-N 2.97Å; A19-Q23 PolarHBondContact O-N 3.3Å |
| 20 | A | 60.4 | Low | 64.5 | Low | 41 Ų | 41 | 108 Ų | 108 | 34% | 0.339 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.9 | -36.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P16 F17 V22 Q23 N24 | P16-A20 WeakPolarHBondContact O-CB 3.29Å; P16-A20 PolarHBondContact O-N 3.05Å; F17-A20 PolarHBondContact O-N 3.19Å; A20-V22 VanDerWaalsContact C-N 3.29Å; A20-V22 PolarHBondContact O-N 3.35Å; A20-Q23 PolarHBondContact O-N 3.49Å; A20-N24 PolarHBondContact O-N 2.97Å; A20-N24 VanDerWaalsContact O-N 3.12Å; A20-N24 PolarHBondContact O-ND2 2.98Å |
| 21 | E | 55.4 | Low | 63 | Low | 129 Ų | 129 | 111.8 Ų | 111.8 | 60% | 0.603 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -58.3 | -41.4 | 175.9 | -165.5 | 78.8 | -156.2 | 0 | 0 | 111.5 | F17 L18 Q23 N24 | F17-E21 PolarHBondContact O-N 3.36Å; F17-E21 VanDerWaalsContact O-N 3.12Å; L18-E21 PolarHBondContact O-N 3.27Å; E21-Q23 PolarHBondContact O-N 3.23Å; E21-N24 PolarHBondContact O-N 2.98Å |
| 22 | V | 55.9 | Low | 61 | Low | 102 Ų | 102 | 115.6 Ų | 115.6 | 62% | 0.618 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -72.2 | -28.6 | -178.8 | 177.9 | 0 | 0 | 0 | 0 | 112.6 | L18 A20 | L18-V22 PolarHBondContact O-N 3.44Å; A20-V22 VanDerWaalsContact C-N 3.29Å; A20-V22 PolarHBondContact O-N 3.35Å |
| 23 | Q | 53.3 | Low | 59.6 | Low | 159 Ų | 159 | 118.9 Ų | 118.9 | 74% | 0.743 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -77.4 | -33.6 | 174.5 | -79.1 | -174.4 | -11.6 | 0 | 0 | 112.8 | A19 A20 E21 Q25 K26 | A19-Q23 PolarHBondContact O-N 3.3Å; A20-Q23 PolarHBondContact O-N 3.49Å; E21-Q23 PolarHBondContact O-N 3.23Å; Q23-Q25 VanDerWaalsContact C-N 3.28Å; Q23-Q25 PolarHBondContact O-N 3.01Å; Q23-K26 PolarHBondContact O-N 3.14Å |
| 24 | N | 54.4 | Low | 58 | Low | 125 Ų | 125 | 115.9 Ų | 115.9 | 67% | 0.668 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.5 | -17.1 | -178.9 | -76.6 | -64.7 | 0 | 0 | 0 | 113.9 | A20 E21 | A20-N24 PolarHBondContact O-N 2.97Å; A20-N24 VanDerWaalsContact O-N 3.12Å; A20-N24 PolarHBondContact O-ND2 2.98Å; E21-N24 PolarHBondContact O-N 2.98Å |
| 25 | Q | 55.9 | Low | 56.7 | Low | 163 Ų | 163 | 120.7 Ų | 120.7 | 76% | 0.762 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -13.2 | 172.5 | -75.9 | -171.9 | -5.8 | 0 | 0 | 114.1 | Q23 | Q23-Q25 VanDerWaalsContact C-N 3.28Å; Q23-Q25 PolarHBondContact O-N 3.01Å |
| 26 | K | 47.8 | Very low | 55.6 | Low | 179 Ų | 179 | 125.7 Ų | 125.7 | 78% | 0.778 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -97.9 | 8.1 | -172.6 | -116.7 | -179.4 | -174.3 | 177.6 | 0 | 114.7 | Q23 P28 | Q23-K26 PolarHBondContact O-N 3.14Å; K26-P28 WeakPolarHBondContact O-CD 3.37Å |
| 27 | Q | 49.6 | Very low | 54.2 | Low | 163 Ų | 163 | 131.3 Ų | 131.3 | 76% | 0.762 | 68% | 0.679 | S | S | * | * | | | trans | -90.2 | 102.2 | 169.5 | -163.3 | 157.5 | 1 | 0 | 0 | 108.2 | A29 | Q27-A29 PolarHBondContact O-N 3.5Š|
| 28 | P | 50.1 | Low | 53.3 | Low | 94 Ų | 94 | 131.5 Ų | 131.5 | 61% | 0.61 | 68% | 0.68 | S | S | * | * | | | trans | -59.7 | 130.7 | 166.5 | 26 | -31.5 | 0 | 0 | 0 | 107 | K26 C30 | K26-P28 WeakPolarHBondContact O-CD 3.37Å; P28-C30 PolarHBondContact O-N 2.9Å |
| 29 | A | 57.1 | Low | 52.4 | Low | 105 Ų | 105 | 136.2 Ų | 136.2 | 87% | 0.868 | 69% | 0.691 | S | S | * | * | | | trans | -64.9 | 71.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q27 H31 | Q27-A29 PolarHBondContact O-N 3.5Å; A29-H31 PolarHBondContact O-N 3.49Å |
| 30 | C | 48.9 | Very low | 52.1 | Low | 102 Ų | 102 | 140.9 Ų | 140.9 | 69% | 0.689 | 70% | 0.703 | S | S | * | * | | | trans | -75.7 | 78.7 | 169.3 | -69.7 | 0 | 0 | 0 | 0 | 107.2 | P28 E32 | P28-C30 PolarHBondContact O-N 2.9Å; C30-E32 PolarHBondContact O-N 3.17Å |
| 31 | H | 52.9 | Low | 51.7 | Low | 159 Ų | 159 | 148.3 Ų | 148.3 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | | | trans | -74.7 | 71.1 | 160.3 | -149.3 | -73.8 | 0 | 0 | 0 | 107.2 | A29 N33 | A29-H31 PolarHBondContact O-N 3.49Å; H31-N33 PolarHBondContact ND1-OD1 2.72Å; H31-N33 PolarHBondContact O-N 3Å |
| 32 | E | 45 | Very low | 51.6 | Low | 179 Ų | 179 | 147.7 Ų | 147.7 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | | | trans | -67.1 | 106.7 | 167.5 | -163.3 | 172.7 | -159 | 0 | 0 | 105.6 | C30 G34 | C30-E32 PolarHBondContact O-N 3.17Å; E32-G34 PolarHBondContact O-N 3.43Å |
| 33 | N | 53.6 | Low | 51.7 | Low | 128 Ų | 128 | 146.6 Ų | 146.6 | 68% | 0.684 | 74% | 0.735 | S | S | * | * | | | trans | -67.6 | 70.4 | 171.4 | -68.2 | -31.5 | 0 | 0 | 0 | 108.1 | H31 E35 | H31-N33 PolarHBondContact ND1-OD1 2.72Å; H31-N33 PolarHBondContact O-N 3Å; N33-E35 PolarHBondContact O-N 3Å |
| 34 | G | 47.4 | Very low | 51.9 | Low | 60 Ų | 60 | 144.2 Ų | 144.2 | 62% | 0.619 | 73% | 0.733 | S | S | * | * | | | trans | -66.5 | 93.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 105.9 | E32 R36 | E32-G34 PolarHBondContact O-N 3.43Å; G34-R36 PolarHBondContact O-N 2.65Å |
| 35 | E | 55.5 | Low | 51.7 | Low | 154 Ų | 154 | 148.2 Ų | 148.2 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | | | trans | -57.8 | 79.4 | 164.3 | -70.7 | -173.8 | -179.4 | 0 | 0 | 108 | N33 R37 | N33-E35 PolarHBondContact O-N 3Å; E35-R37 PolarHBondContact O-N 2.81Å |
| 36 | R | 53.2 | Low | 51.6 | Low | 200 Ų | 200 | 145.5 Ų | 145.5 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | | | trans | -69.5 | 90.5 | 168 | -148 | 177.1 | -162.2 | 180 | 5.7 | 103.6 | G34 F38 | G34-R36 PolarHBondContact O-N 2.65Å; R36-F38 HydrophobicContact CB-CD2 4.26Å; R36-F38 HydrophobicContact CB-CE2 4.02Å; R36-F38 HydrophobicContact CG-CE2 4.2Å; R36-F38 HydrophobicContact CG-CZ 4.38Å; R36-F38 WeakPolarHBondContact O-CD2 3.34Å; R36-F38 PolarHBondContact O-N 2.7Å |
| 37 | R | 47.2 | Very low | 51.8 | Low | 195 Ų | 195 | 139.5 Ų | 139.5 | 74% | 0.736 | 71% | 0.714 | S | S | * | * | | | trans | -61.9 | 83.9 | 167.1 | -69.1 | -170.2 | -179.5 | -167.4 | 1.1 | 106.4 | E35 Y39 | E35-R37 PolarHBondContact O-N 2.81Å; R37-Y39 PolarHBondContact O-N 2.71Å |
| 38 | F | 48.2 | Very low | 51.8 | Low | 154 Ų | 154 | 139 Ų | 139 | 68% | 0.675 | 71% | 0.713 | S | S | * | * | | | trans | -60.3 | 98.2 | 158.5 | -72.5 | -80.3 | 0 | 0 | 0 | 104.2 | R36 Q40 | R36-F38 HydrophobicContact CB-CD2 4.26Å; R36-F38 HydrophobicContact CB-CE2 4.02Å; R36-F38 HydrophobicContact CG-CE2 4.2Å; R36-F38 HydrophobicContact CG-CZ 4.38Å; R36-F38 WeakPolarHBondContact O-CD2 3.34Å; R36-F38 PolarHBondContact O-N 2.7Å; F38-Q40 HydrophobicContact CB-CB 4.42Å; F38-Q40 PolarHBondContact O-N 2.86Å |
| 39 | Y | 49 | Very low | 51.7 | Low | 210 Ų | 210 | 143.4 Ų | 143.4 | 82% | 0.824 | 72% | 0.719 | S | S | * | * | | | trans | -63 | 70.4 | 151.1 | -94.1 | -87.3 | 0 | 0 | 0 | 106.3 | R37 K41 | R37-Y39 PolarHBondContact O-N 2.71Å; Y39-K41 PolarHBondContact O-N 3.38Å |
| 40 | Q | 52.8 | Low | 51.3 | Low | 157 Ų | 157 | 147.3 Ų | 147.3 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | | | trans | -70.4 | 89.8 | 163.9 | -165.4 | 167.6 | 25.2 | 0 | 0 | 102.8 | F38 T42 | F38-Q40 HydrophobicContact CB-CB 4.42Å; F38-Q40 PolarHBondContact O-N 2.86Å; Q40-T42 PolarHBondContact O-N 3.03Å; Q40-T42 PolarHBondContact O-OG1 3.25Å |
| 41 | K | 53.1 | Low | 51.3 | Low | 198 Ų | 198 | 148 Ų | 148 | 86% | 0.861 | 71% | 0.714 | S | S | * | * | | | trans | -60.7 | 89.2 | 162.5 | -148.9 | 179.9 | -169.6 | -177.9 | 0 | 103.4 | Y39 A43 | Y39-K41 PolarHBondContact O-N 3.38Å; K41-A43 PolarHBondContact O-N 3.38Å |
| 42 | T | 52.9 | Low | 50.9 | Low | 115 Ų | 115 | 145.4 Ų | 145.4 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | | | trans | -58.8 | 93.3 | 178.1 | -55.9 | 0 | 0 | 0 | 0 | 105.3 | Q40 P44 | Q40-T42 PolarHBondContact O-N 3.03Å; Q40-T42 PolarHBondContact O-OG1 3.25Å; T42-P44 WeakPolarHBondContact O-CD 3.42Å; T42-P44 VanDerWaalsContact O-N 3.15Å |
| 43 | A | 58.8 | Low | 50.9 | Low | 80 Ų | 80 | 144.3 Ų | 144.3 | 66% | 0.661 | 71% | 0.711 | S | S | * | * | | | trans | -58.2 | 121.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 104.2 | K41 Y45 | K41-A43 PolarHBondContact O-N 3.38Å; A43-Y45 PolarHBondContact O-N 2.73Å |
| 44 | P | 56.1 | Low | 50.7 | Low | 108 Ų | 108 | 142.8 Ų | 142.8 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | | | trans | -56.3 | 114.5 | 177.7 | 22.3 | -30.8 | 0 | 0 | 0 | 106.2 | T42 V46 | T42-P44 WeakPolarHBondContact O-CD 3.42Å; T42-P44 VanDerWaalsContact O-N 3.15Å; P44-V46 PolarHBondContact O-N 2.9Å |
| 45 | Y | 50.1 | Low | 50.6 | Low | 209 Ų | 209 | 148.9 Ų | 148.9 | 82% | 0.82 | 72% | 0.715 | S | S | * | * | | | trans | -65.2 | 93.6 | 170.1 | 179.8 | -97.9 | 0 | 0 | 0 | 105.2 | A43 P47 | A43-Y45 PolarHBondContact O-N 2.73Å; Y45-P47 HydrophobicContact CE1-CB 4.2Å; Y45-P47 WeakPolarHBondContact O-CD 3.17Å |
| 46 | V | 54.7 | Low | 50.2 | Low | 106 Ų | 106 | 147.1 Ų | 147.1 | 64% | 0.642 | 72% | 0.717 | S | S | * | * | | | trans | -80.5 | 106.9 | 171.2 | -179.8 | 0 | 0 | 0 | 0 | 105 | P44 M48 | P44-V46 PolarHBondContact O-N 2.9Å; V46-M48 PolarHBondContact O-N 3.19Å |
| 47 | P | 51.5 | Low | 50 | Low | 54 Ų | 54 | 146.1 Ų | 146.1 | 35% | 0.351 | 72% | 0.715 | S | S | . | * | | | trans | -61.7 | 109.7 | 173.3 | 25.3 | -32.3 | 0 | 0 | 0 | 107.6 | Y45 Y49 | Y45-P47 HydrophobicContact CE1-CB 4.2Å; Y45-P47 WeakPolarHBondContact O-CD 3.17Å; P47-Y49 VanDerWaalsContact C-N 3.29Å; P47-Y49 HydrophobicContact CB-CD2 4.45Å; P47-Y49 HydrophobicContact CB-CE2 4.01Å; P47-Y49 HydrophobicContact CG-CD2 4.4Å; P47-Y49 HydrophobicContact CG-CE2 3.69Å; P47-Y49 WeakPolarHBondContact O-CD2 3.41Å; P47-Y49 PolarHBondContact O-N 3.15Å |
| 48 | M | 49.9 | Very low | 49.7 | Very low | 151 Ų | 151 | 147.4 Ų | 147.4 | 74% | 0.744 | 72% | 0.721 | S | S | * | * | | | trans | -70.3 | 93.3 | 167.6 | -72.7 | -171.3 | -179.1 | 0 | 0 | 107.1 | V46 Y50 | V46-M48 PolarHBondContact O-N 3.19Å; M48-Y50 PolarHBondContact O-N 2.92Å |
| 49 | Y | 47.3 | Very low | 49.7 | Very low | 187 Ų | 187 | 143 Ų | 143 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | | | trans | -67.1 | 101.6 | 166.5 | -66.1 | -77 | 0 | 0 | 0 | 107.7 | P47 V51 | P47-Y49 VanDerWaalsContact C-N 3.29Å; P47-Y49 HydrophobicContact CB-CD2 4.45Å; P47-Y49 HydrophobicContact CB-CE2 4.01Å; P47-Y49 HydrophobicContact CG-CD2 4.4Å; P47-Y49 HydrophobicContact CG-CE2 3.69Å; P47-Y49 WeakPolarHBondContact O-CD2 3.41Å; P47-Y49 PolarHBondContact O-N 3.15Å; Y49-V51 VanDerWaalsContact C-N 3.26Å; Y49-V51 PolarHBondContact O-N 2.96Å |
| 50 | Y | 48.2 | Very low | 49.7 | Very low | 187 Ų | 187 | 139.5 Ų | 139.5 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | | | trans | -65.8 | 93.7 | 164.6 | -65.7 | -83.3 | 0 | 0 | 0 | 107 | M48 P52 | M48-Y50 PolarHBondContact O-N 2.92Å; Y50-P52 WeakPolarHBondContact O-CD 3.11Å |
| 51 | V | 48.9 | Very low | 49.4 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 72% | 0.715 | 72% | 0.718 | S | S | * | * | | | trans | -79.8 | 107.2 | 167.3 | 179.3 | 0 | 0 | 0 | 0 | 105.9 | Y49 N53 | Y49-V51 VanDerWaalsContact C-N 3.26Å; Y49-V51 PolarHBondContact O-N 2.96Å; V51-N53 PolarHBondContact O-N 2.83Å |
| 52 | P | 46.2 | Very low | 49.3 | Very low | 103 Ų | 103 | 136.7 Ų | 136.7 | 67% | 0.669 | 72% | 0.719 | S | S | * | * | | | trans | -63.3 | 108.7 | 170.5 | 25.6 | -31 | 0 | 0 | 0 | 107.1 | Y50 S54 | Y50-P52 WeakPolarHBondContact O-CD 3.11Å; P52-S54 PolarHBondContact O-N 3.07Å |
| 53 | N | 44.2 | Very low | 49.1 | Very low | 157 Ų | 157 | 140.8 Ų | 140.8 | 84% | 0.84 | 72% | 0.723 | S | S | * | * | | | trans | -71 | 74.9 | 173.3 | -165.5 | 23.6 | 0 | 0 | 0 | 108.3 | V51 | V51-N53 PolarHBondContact O-N 2.83Š|
| 54 | S | 49.6 | Very low | 48.5 | Very low | 95 Ų | 95 | 145.9 Ų | 145.9 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | | | trans | -95.8 | 99.5 | 175 | 58.5 | 0 | 0 | 0 | 0 | 108.3 | P52 | P52-S54 PolarHBondContact O-N 3.07Š|
| 55 | Y | 45.4 | Very low | 48.1 | Very low | 189 Ų | 189 | 148.9 Ų | 148.9 | 74% | 0.741 | 74% | 0.737 | S | S | * | * | | | trans | -55.9 | 124.6 | 166.4 | -139.8 | -98.1 | 0 | 0 | 0 | 108.1 | Y57 | Y55-Y57 VanDerWaalsContact C-N 3.26Å; Y55-Y57 HydrophobicContact CD1-CD2 4.13Å; Y55-Y57 HydrophobicContact CE1-CD2 4.3Å; Y55-Y57 PolarHBondContact O-N 3.09Å |
| 56 | P | 47.8 | Very low | 48.1 | Very low | 117 Ų | 117 | 149.6 Ų | 149.6 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | | | trans | -85.8 | 72.6 | -172.3 | 35.5 | -33.6 | 0 | 0 | 0 | 109.2 | | |
| 57 | Y | 47.9 | Very low | 48.1 | Very low | 179 Ų | 179 | 148.6 Ų | 148.6 | 70% | 0.702 | 73% | 0.734 | S | S | * | * | | | trans | -125.5 | 116.6 | 161.9 | -91.6 | -88.7 | 0 | 0 | 0 | 107.8 | Y55 | Y55-Y57 VanDerWaalsContact C-N 3.26Å; Y55-Y57 HydrophobicContact CD1-CD2 4.13Å; Y55-Y57 HydrophobicContact CE1-CD2 4.3Å; Y55-Y57 PolarHBondContact O-N 3.09Å |
| 58 | Y | 42.2 | Very low | 48.2 | Very low | 221 Ų | 221 | 151 Ų | 151 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 95.5 | 96.3 | 175.1 | -59.8 | -80 | 0 | 0 | 0 | 117.4 | | |
| 59 | G | 47.3 | Very low | 48.5 | Very low | 62 Ų | 62 | 149.6 Ų | 149.6 | 64% | 0.639 | 75% | 0.752 | S | S | * | * | | | trans | 81.8 | 102.2 | 135.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | N61 | G59-N61 PolarHBondContact O-N 2.88Š|
| 60 | T | 48.9 | Very low | 48.8 | Very low | 136 Ų | 136 | 144.4 Ų | 144.4 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | | | trans | -58.4 | 77.3 | 159.4 | 46.7 | 0 | 0 | 0 | 0 | 110 | L62 | T60-L62 VanDerWaalsContact C-N 3.32Å; T60-L62 PolarHBondContact O-N 2.73Å; T60-L62 VanDerWaalsContact O-N 3.08Å |
| 61 | N | 45.5 | Very low | 49.2 | Very low | 130 Ų | 130 | 141.4 Ų | 141.4 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | | | trans | -72.5 | 98.1 | 160.6 | -81.2 | -50.3 | 0 | 0 | 0 | 106.1 | G59 Y63 | G59-N61 PolarHBondContact O-N 2.88Å; N61-Y63 HydrophobicContact CB-CD2 3.84Å; N61-Y63 HydrophobicContact CB-CE2 4.09Å; N61-Y63 PolarHBondContact O-N 3.21Å |
| 62 | L | 52.3 | Low | 49.4 | Very low | 167 Ų | 167 | 143 Ų | 143 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | | | trans | -64.1 | 63 | 167.2 | -69.2 | 158.2 | 0 | 0 | 0 | 109.5 | T60 Q64 | T60-L62 VanDerWaalsContact C-N 3.32Å; T60-L62 PolarHBondContact O-N 2.73Å; T60-L62 VanDerWaalsContact O-N 3.08Å; L62-Q64 PolarHBondContact O-N 2.92Å; L62-Q64 VanDerWaalsContact O-N 3.09Å |
| 63 | Y | 49.3 | Very low | 49.7 | Very low | 201 Ų | 201 | 142 Ų | 142 | 79% | 0.788 | 74% | 0.737 | S | S | * | * | | | trans | -70.6 | 104.2 | 160.6 | -84.7 | -80 | 0 | 0 | 0 | 106.1 | N61 H65 | N61-Y63 HydrophobicContact CB-CD2 3.84Å; N61-Y63 HydrophobicContact CB-CE2 4.09Å; N61-Y63 PolarHBondContact O-N 3.21Å; Y63-H65 PolarHBondContact O-N 3.19Å |
| 64 | Q | 46 | Very low | 50.5 | Low | 187 Ų | 187 | 140 Ų | 140 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | | | trans | -43.8 | 111.5 | 165.4 | -112 | 173.4 | -0.9 | 0 | 0 | 107.9 | L62 R66 | L62-Q64 PolarHBondContact O-N 2.92Å; L62-Q64 VanDerWaalsContact O-N 3.09Å; Q64-R66 VanDerWaalsContact C-N 3.31Å; Q64-R66 PolarHBondContact O-N 2.96Å |
| 65 | H | 47.3 | Very low | 50.8 | Low | 171 Ų | 171 | 145.1 Ų | 145.1 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | | | trans | -64.3 | 99.3 | 173.6 | -171.4 | 18.5 | 0 | 0 | 0 | 106.6 | Y63 P67 | Y63-H65 PolarHBondContact O-N 3.19Å; H65-P67 WeakPolarHBondContact O-CD 3.4Å |
| 66 | R | 49.8 | Very low | 51.3 | Low | 224 Ų | 224 | 140.3 Ų | 140.3 | 85% | 0.845 | 73% | 0.729 | S | S | * | * | | | trans | -80.4 | 107.1 | 168.3 | -160.4 | 179.4 | -162.6 | -166.8 | 4.9 | 105.7 | Q64 A68 | Q64-R66 VanDerWaalsContact C-N 3.31Å; Q64-R66 PolarHBondContact O-N 2.96Å; R66-A68 PolarHBondContact O-N 2.72Å |
| 67 | P | 54.5 | Low | 51.6 | Low | 85 Ų | 85 | 140.1 Ų | 140.1 | 55% | 0.552 | 73% | 0.728 | S | S | * | * | | | trans | -62.1 | 137 | 175.1 | 26.1 | -32.3 | 0 | 0 | 0 | 108.1 | H65 I69 | H65-P67 WeakPolarHBondContact O-CD 3.4Å; P67-I69 VanDerWaalsContact C-N 3.32Å; P67-I69 PolarHBondContact O-N 3.1Å |
| 68 | A | 54.7 | Low | 51.8 | Low | 104 Ų | 104 | 138.1 Ų | 138.1 | 86% | 0.86 | 72% | 0.719 | S | S | * | * | | | trans | -64.4 | 97.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | R66 A70 | R66-A68 PolarHBondContact O-N 2.72Å; A68-A70 PolarHBondContact O-N 3.11Å; A68-A70 VanDerWaalsContact O-N 3.15Å |
| 69 | I | 55 | Low | 52.3 | Low | 121 Ų | 121 | 133 Ų | 133 | 62% | 0.621 | 71% | 0.711 | S | S | * | * | | | trans | -64.4 | 116.7 | 177 | -64 | 166.2 | 0 | 0 | 0 | 106.7 | P67 I71 | P67-I69 VanDerWaalsContact C-N 3.32Å; P67-I69 PolarHBondContact O-N 3.1Å; I69-I71 WeakPolarHBondContact O-CG1 3.41Å; I69-I71 PolarHBondContact O-N 2.87Å |
| 70 | A | 54 | Low | 52.4 | Low | 78 Ų | 78 | 139.7 Ų | 139.7 | 65% | 0.645 | 72% | 0.718 | S | S | * | * | | | trans | -58.5 | 111.8 | 172 | 0 | 0 | 0 | 0 | 0 | 108.4 | A68 N72 | A68-A70 PolarHBondContact O-N 3.11Å; A68-A70 VanDerWaalsContact O-N 3.15Å; A70-N72 PolarHBondContact O-N 3.15Å |
| 71 | I | 56.3 | Low | 52.4 | Low | 124 Ų | 124 | 142.9 Ų | 142.9 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -69.7 | -20.3 | -171.6 | -66.1 | 177.4 | 0 | 0 | 0 | 111.6 | I69 R78 | I69-I71 WeakPolarHBondContact O-CG1 3.41Å; I69-I71 PolarHBondContact O-N 2.87Å; I71-R78 PolarHBondContact O-NH2 2.94Å |
| 72 | N | 53 | Low | 52.8 | Low | 153 Ų | 153 | 140.8 Ų | 140.8 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | | | trans | -117.4 | 58.3 | -170.4 | -67.1 | -22.9 | 0 | 0 | 0 | 112.9 | A70 | A70-N72 PolarHBondContact O-N 3.15Š|
| 73 | N | 53.8 | Low | 52.8 | Low | 81 Ų | 81 | 140.1 Ų | 140.1 | 43% | 0.433 | 72% | 0.715 | S | S | . | * | | | trans | -114.2 | 108.6 | 164.3 | -169.1 | -16.6 | 0 | 0 | 0 | 109.5 | Y75 V76 | N73-Y75 PolarHBondContact O-N 3.25Å; N73-Y75 PolarHBondContact OD1-N 3.02Å; N73-V76 HydrophobicContact CB-CG2 4.23Å; N73-V76 WeakPolarHBondContact ND2-CG2 3.48Å |
| 74 | P | 59.9 | Low | 52.8 | Low | 115 Ų | 115 | 135.5 Ų | 135.5 | 75% | 0.747 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -9.9 | -179.1 | 27.6 | -32.2 | 0 | 0 | 0 | 113.7 | | |
| 75 | Y | 56.4 | Low | 53.2 | Low | 202 Ų | 202 | 131.2 Ų | 131.2 | 79% | 0.792 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 0.1 | -176.6 | -62 | -76.6 | 0 | 0 | 0 | 114.3 | N73 | N73-Y75 PolarHBondContact O-N 3.25Å; N73-Y75 PolarHBondContact OD1-N 3.02Å |
| 76 | V | 55.3 | Low | 53.4 | Low | 89 Ų | 89 | 128.9 Ų | 128.9 | 54% | 0.539 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -107.1 | 109.2 | 176.6 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | N73 R78 | N73-V76 HydrophobicContact CB-CG2 4.23Å; N73-V76 WeakPolarHBondContact ND2-CG2 3.48Å; V76-R78 PolarHBondContact O-N 2.96Å; V76-R78 VanDerWaalsContact O-N 3.09Å |
| 77 | P | 54 | Low | 53.7 | Low | 113 Ų | 113 | 124.6 Ų | 124.6 | 73% | 0.734 | 70% | 0.702 | S | S | * | * | | | trans | -62.5 | 117.8 | 172.2 | 24.5 | -30.1 | 0 | 0 | 0 | 108.2 | T79 | P77-T79 PolarHBondContact O-N 2.82Å; P77-T79 VanDerWaalsContact O-N 3.07Å |
| 78 | R | 52.7 | Low | 53.4 | Low | 136 Ų | 136 | 130.9 Ų | 130.9 | 51% | 0.513 | 72% | 0.715 | S | S | . | * | | | trans | -65.2 | 111.2 | 171.9 | -71.9 | -176.2 | -178.2 | -119.8 | 5.7 | 107.6 | I71 V76 Y80 | I71-R78 PolarHBondContact O-NH2 2.94Å; V76-R78 PolarHBondContact O-N 2.96Å; V76-R78 VanDerWaalsContact O-N 3.09Å; R78-Y80 HydrophobicContact CB-CD2 4.13Å; R78-Y80 HydrophobicContact CB-CE2 4.33Å; R78-Y80 PolarHBondContact O-N 3.01Å |
| 79 | T | 53 | Low | 53.3 | Low | 113 Ų | 113 | 131 Ų | 131 | 69% | 0.693 | 71% | 0.706 | S | S | * | * | | | trans | -67.4 | 89 | 164.7 | 50.9 | 0 | 0 | 0 | 0 | 107.6 | P77 Y81 | P77-T79 PolarHBondContact O-N 2.82Å; P77-T79 VanDerWaalsContact O-N 3.07Å; T79-Y81 VanDerWaalsContact C-N 3.28Å; T79-Y81 PolarHBondContact O-N 2.89Å |
| 80 | Y | 48 | Very low | 53.3 | Low | 203 Ų | 203 | 134.8 Ų | 134.8 | 80% | 0.796 | 72% | 0.721 | S | S | * | * | | | trans | -65.3 | 95.4 | 163.5 | -95.8 | -93.5 | 0 | 0 | 0 | 106.5 | R78 A82 | R78-Y80 HydrophobicContact CB-CD2 4.13Å; R78-Y80 HydrophobicContact CB-CE2 4.33Å; R78-Y80 PolarHBondContact O-N 3.01Å; Y80-A82 VanDerWaalsContact C-N 3.3Å; Y80-A82 PolarHBondContact O-N 3.4Å |
| 81 | Y | 50.3 | Low | 53.5 | Low | 203 Ų | 203 | 135.1 Ų | 135.1 | 80% | 0.796 | 72% | 0.724 | S | S | * | * | | | trans | -62.5 | 100.3 | 162.8 | -83.4 | -89.5 | 0 | 0 | 0 | 106.6 | T79 N83 | T79-Y81 VanDerWaalsContact C-N 3.28Å; T79-Y81 PolarHBondContact O-N 2.89Å; Y81-N83 PolarHBondContact O-N 2.89Å; Y81-N83 VanDerWaalsContact O-N 3.11Å |
| 82 | A | 52.4 | Low | 53.7 | Low | 87 Ų | 87 | 138.2 Ų | 138.2 | 72% | 0.719 | 74% | 0.736 | S | S | * | * | | | trans | -57.7 | 115.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | Y80 P84 | Y80-A82 VanDerWaalsContact C-N 3.3Å; Y80-A82 PolarHBondContact O-N 3.4Å; A82-P84 WeakPolarHBondContact O-CD 3.47Å |
| 83 | N | 52.3 | Low | 53.8 | Low | 153 Ų | 153 | 138.3 Ų | 138.3 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | | | trans | -52.3 | 115 | 172.6 | -88 | -36.6 | 0 | 0 | 0 | 107.2 | Y81 A85 | Y81-N83 PolarHBondContact O-N 2.89Å; Y81-N83 VanDerWaalsContact O-N 3.11Å; N83-A85 PolarHBondContact O-N 2.85Å; N83-A85 VanDerWaalsContact O-N 3.1Å |
| 84 | P | 50.5 | Low | 53.9 | Low | 104 Ų | 104 | 139.6 Ų | 139.6 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | | | trans | -62.2 | 122.2 | 163 | 27.1 | -29.1 | 0 | 0 | 0 | 104.5 | A82 V86 | A82-P84 WeakPolarHBondContact O-CD 3.47Å; P84-V86 WeakPolarHBondContact O-CG2 3.48Å; P84-V86 PolarHBondContact O-N 2.88Å |
| 85 | A | 53.2 | Low | 53.8 | Low | 97 Ų | 97 | 143 Ų | 143 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | | | trans | -58.6 | 94.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | N83 V87 | N83-A85 PolarHBondContact O-N 2.85Å; N83-A85 VanDerWaalsContact O-N 3.1Å; A85-V87 PolarHBondContact O-N 3.4Å |
| 86 | V | 52.8 | Low | 53.5 | Low | 121 Ų | 121 | 144.3 Ų | 144.3 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | | | trans | -66.6 | 103.6 | 177.7 | 176.3 | 0 | 0 | 0 | 0 | 105.5 | P84 R88 | P84-V86 WeakPolarHBondContact O-CG2 3.48Å; P84-V86 PolarHBondContact O-N 2.88Å; V86-R88 VanDerWaalsContact C-N 3.34Å; V86-R88 PolarHBondContact O-N 2.93Å |
| 87 | V | 55 | Low | 53.5 | Low | 135 Ų | 135 | 148.6 Ų | 148.6 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -57.6 | 102.4 | 167.1 | 175.6 | 0 | 0 | 0 | 0 | 106.5 | A85 P89 | A85-V87 PolarHBondContact O-N 3.4Å; V87-P89 WeakPolarHBondContact O-CD 3.15Å |
| 88 | R | 49.8 | Very low | 53.4 | Low | 217 Ų | 217 | 154 Ų | 154 | 82% | 0.819 | 78% | 0.779 | S | S | * | * | | | trans | -77.3 | 117.6 | -180 | -158.9 | -178.4 | -155.7 | -173 | 5.7 | 107.3 | V86 H90 | V86-R88 VanDerWaalsContact C-N 3.34Å; V86-R88 PolarHBondContact O-N 2.93Å; R88-H90 PolarHBondContact O-N 2.91Å |
| 89 | P | 51.8 | Low | 53.7 | Low | 105 Ų | 105 | 154.4 Ų | 154.4 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | | | trans | -61.9 | 137.3 | 169.8 | 25.3 | -30.1 | 0 | 0 | 0 | 108.1 | V87 A91 | V87-P89 WeakPolarHBondContact O-CD 3.15Å; P89-A91 PolarHBondContact O-N 3.02Å |
| 90 | H | 55.7 | Low | 53.8 | Low | 201 Ų | 201 | 154.4 Ų | 154.4 | 93% | 0.931 | 79% | 0.792 | S | S | * | * | | | trans | -63.8 | 77 | 174.1 | -86.3 | 2.5 | 0 | 0 | 0 | 110.2 | R88 | R88-H90 PolarHBondContact O-N 2.91Š|
| 91 | A | 57.7 | Low | 54.1 | Low | 86 Ų | 86 | 151 Ų | 151 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | trans | -75.7 | 123.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | P89 I93 | P89-A91 PolarHBondContact O-N 3.02Å; A91-I93 PolarHBondContact O-N 3.32Å |
| 92 | Q | 59.3 | Low | 54.1 | Low | 188 Ų | 188 | 146.1 Ų | 146.1 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | | | trans | -48.2 | 129.4 | 173.8 | -86.5 | 174 | -13.3 | 0 | 0 | 110.2 | P94 | Q92-P94 WeakPolarHBondContact O-CD 3.08Š|
| 93 | I | 56.8 | Low | 54.6 | Low | 155 Ų | 155 | 150.4 Ų | 150.4 | 80% | 0.795 | 79% | 0.788 | S | S | * | * | | | trans | -64.3 | 114.4 | 174.1 | -61.6 | 163.8 | 0 | 0 | 0 | 106.9 | A91 Q95 | A91-I93 PolarHBondContact O-N 3.32Å; I93-Q95 PolarHBondContact O-N 3.03Å |
| 94 | P | 56 | Low | 55 | Low | 109 Ų | 109 | 150.7 Ų | 150.7 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | | | trans | -65.4 | 115.2 | 166.8 | 26.4 | -29.5 | 0 | 0 | 0 | 106.6 | Q92 R96 | Q92-P94 WeakPolarHBondContact O-CD 3.08Å; P94-R96 PolarHBondContact O-N 3.25Å |
| 95 | Q | 55.8 | Low | 55.3 | Low | 185 Ų | 185 | 150.8 Ų | 150.8 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | trans | -57.2 | 102.9 | 171.9 | -77 | -176.7 | -11.1 | 0 | 0 | 107.6 | I93 Q97 | I93-Q95 PolarHBondContact O-N 3.03Å; Q95-Q97 PolarHBondContact O-N 3.07Å |
| 96 | R | 51 | Low | 55.6 | Low | 230 Ų | 230 | 152.4 Ų | 152.4 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | | | trans | -62.2 | 107.3 | 170.6 | -79.3 | -174.4 | 174.4 | -177.3 | -1.9 | 107.1 | P94 Y98 | P94-R96 PolarHBondContact O-N 3.25Å; R96-Y98 PolarHBondContact O-N 3.31Å |
| 97 | Q | 54.9 | Low | 55.9 | Low | 180 Ų | 180 | 152.3 Ų | 152.3 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | | | trans | -61.1 | 117.5 | 165.9 | -74.5 | 176.5 | -8 | 0 | 0 | 107.7 | Q95 L99 | Q95-Q97 PolarHBondContact O-N 3.07Å; Q97-L99 PolarHBondContact O-N 2.73Å; Q97-L99 VanDerWaalsContact O-N 3.17Å |
| 98 | Y | 52.3 | Low | 56.1 | Low | 227 Ų | 227 | 151.3 Ų | 151.3 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | | | trans | -68.4 | 106.2 | 171.8 | -101.7 | -97 | 0 | 0 | 0 | 108.2 | R96 P100 | R96-Y98 PolarHBondContact O-N 3.31Å; Y98-P100 WeakPolarHBondContact O-CD 3.21Å |
| 99 | L | 59.2 | Low | 56.5 | Low | 143 Ų | 143 | 152 Ų | 152 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | | | trans | -78.3 | 119.2 | 166.1 | -138.5 | 83.2 | 0 | 0 | 0 | 107.4 | Q97 N101 | Q97-L99 PolarHBondContact O-N 2.73Å; Q97-L99 VanDerWaalsContact O-N 3.17Å; L99-N101 VanDerWaalsContact C-N 3.26Å; L99-N101 PolarHBondContact O-N 3.09Å |
| 100 | P | 55.2 | Low | 56.9 | Low | 113 Ų | 113 | 157.2 Ų | 157.2 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -81.1 | 0.2 | -171 | 31.1 | -33.2 | 0 | 0 | 0 | 114.2 | Y98 | Y98-P100 WeakPolarHBondContact O-CD 3.21Š|
| 101 | N | 54.2 | Low | 57.2 | Low | 132 Ų | 132 | 153.1 Ų | 153.1 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | trans | -118.5 | 63.9 | -170.2 | -66.1 | -10.4 | 0 | 0 | 0 | 112.2 | L99 | L99-N101 VanDerWaalsContact C-N 3.26Å; L99-N101 PolarHBondContact O-N 3.09Å |
| 102 | S | 50.7 | Low | 57.2 | Low | 100 Ų | 100 | 156.2 Ų | 156.2 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | | | trans | -105.7 | 100.9 | 158.2 | 53.6 | 0 | 0 | 0 | 0 | 107.7 | L104 | S102-L104 PolarHBondContact O-N 3.08Š|
| 103 | H | 62 | Low | 57.3 | Low | 178 Ų | 178 | 155.2 Ų | 155.2 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 127.1 | 172.6 | -64.8 | -74.8 | 0 | 0 | 0 | 109.3 | | |
| 104 | L | 60.7 | Low | 57.5 | Low | 158 Ų | 158 | 155.7 Ų | 155.7 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 128.8 | 171.4 | -107.6 | 79.3 | 0 | 0 | 0 | 107.7 | S102 T106 | S102-L104 PolarHBondContact O-N 3.08Å; L104-T106 PolarHBondContact O-N 2.76Å; L104-T106 VanDerWaalsContact O-N 3.1Å |
| 105 | P | 56.4 | Low | 57.5 | Low | 106 Ų | 106 | 155.5 Ų | 155.5 | 69% | 0.688 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 121 | 172.7 | 24.7 | -30.2 | 0 | 0 | 0 | 107.5 | V107 | P105-V107 WeakPolarHBondContact O-CG2 3.37Å; P105-V107 PolarHBondContact O-N 2.96Å |
| 106 | T | 60.2 | Low | 57.6 | Low | 132 Ų | 132 | 151.6 Ų | 151.6 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | | | trans | -58.4 | 101.2 | 171.8 | -56.5 | 0 | 0 | 0 | 0 | 107.5 | L104 V108 | L104-T106 PolarHBondContact O-N 2.76Å; L104-T106 VanDerWaalsContact O-N 3.1Å; T106-V108 VanDerWaalsContact C-N 3.28Å; T106-V108 PolarHBondContact O-N 2.76Å |
| 107 | V | 59 | Low | 58.1 | Low | 119 Ų | 119 | 149.1 Ų | 149.1 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | | | trans | -72.5 | 88.9 | -178.8 | -173.8 | 0 | 0 | 0 | 0 | 107.6 | P105 R109 | P105-V107 WeakPolarHBondContact O-CG2 3.37Å; P105-V107 PolarHBondContact O-N 2.96Å; V107-R109 PolarHBondContact O-N 3.2Å |
| 108 | V | 59.6 | Low | 58.4 | Low | 114 Ų | 114 | 147.6 Ų | 147.6 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | | | trans | -64.4 | 103 | 164.1 | 177.4 | 0 | 0 | 0 | 0 | 106.2 | T106 R110 | T106-V108 VanDerWaalsContact C-N 3.28Å; T106-V108 PolarHBondContact O-N 2.76Å; V108-R110 PolarHBondContact O-N 3.06Å |
| 109 | R | 58 | Low | 58.7 | Low | 230 Ų | 230 | 141.1 Ų | 141.1 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | | | trans | -60.9 | 101.3 | 173.1 | -80 | -171.3 | 173.7 | -170 | -0.6 | 108 | V107 | V107-R109 PolarHBondContact O-N 3.2Š|
| 110 | R | 61.1 | Low | 59.2 | Low | 215 Ų | 215 | 141.4 Ų | 141.4 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | | | trans | -69.2 | 135.2 | 168.7 | -63.9 | -168.1 | -174.9 | -134.9 | 2.8 | 107.9 | V108 N112 | V108-R110 PolarHBondContact O-N 3.06Å; R110-N112 PolarHBondContact O-N 2.7Å |
| 111 | P | 61 | Low | 59.7 | Low | 116 Ų | 116 | 140.9 Ų | 140.9 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | | | trans | -59.9 | 127 | 172.1 | 22.7 | -29.5 | 0 | 0 | 0 | 108.6 | L113 | P111-L113 PolarHBondContact O-N 2.92Š|
| 112 | N | 58.7 | Low | 60 | Low | 150 Ų | 150 | 140.5 Ų | 140.5 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | | | trans | -65.1 | 106.8 | 174.6 | -77 | -47.9 | 0 | 0 | 0 | 108.1 | R110 H114 | R110-N112 PolarHBondContact O-N 2.7Å; N112-H114 PolarHBondContact O-N 3.22Å |
| 113 | L | 60.6 | Low | 60.5 | Low | 167 Ų | 167 | 145.1 Ų | 145.1 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | | | trans | -69 | 110.6 | 167.6 | -79.2 | 153 | 0 | 0 | 0 | 107.1 | P111 | P111-L113 PolarHBondContact O-N 2.92Š|
| 114 | H | 60.3 | Low | 60.2 | Low | 165 Ų | 165 | 146 Ų | 146 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | | | trans | -59.7 | 131.5 | 171.5 | -75.9 | -74.8 | 0 | 0 | 0 | 109 | N112 S116 | N112-H114 PolarHBondContact O-N 3.22Å; H114-S116 PolarHBondContact O-N 3.23Å |
| 115 | P | 56 | Low | 60.3 | Low | 105 Ų | 105 | 145.4 Ų | 145.4 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | | | trans | -63.6 | 107.8 | 173 | 24.3 | -30.3 | 0 | 0 | 0 | 108.3 | F117 | P115-F117 PolarHBondContact O-N 2.98Š|
| 116 | S | 59.7 | Low | 60.3 | Low | 104 Ų | 104 | 149 Ų | 149 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | -77.1 | 113.2 | 172.4 | 42.6 | 0 | 0 | 0 | 0 | 108.7 | H114 I118 | H114-S116 PolarHBondContact O-N 3.23Å; S116-I118 PolarHBondContact O-N 2.86Å |
| 117 | F | 60.2 | Low | 60.3 | Low | 177 Ų | 177 | 148.9 Ų | 148.9 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | -76.1 | 104.4 | 169.2 | -71.1 | -84.4 | 0 | 0 | 0 | 108.4 | P115 A119 | P115-F117 PolarHBondContact O-N 2.98Å; F117-A119 PolarHBondContact O-N 2.97Å |
| 118 | I | 62 | Low | 60.1 | Low | 148 Ų | 148 | 151.7 Ų | 151.7 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | | | trans | -77.4 | 102.6 | 167.6 | -65 | 175.7 | 0 | 0 | 0 | 107.1 | S116 I120 | S116-I118 PolarHBondContact O-N 2.86Å; I118-I120 HydrophobicContact CG2-CG1 4.36Å |
| 119 | A | 58.8 | Low | 59.9 | Low | 91 Ų | 91 | 153.1 Ų | 153.1 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | | | trans | -81.6 | 112.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | F117 P121 | F117-A119 PolarHBondContact O-N 2.97Å; A119-P121 WeakPolarHBondContact O-CD 3.49Å |
| 120 | I | 68.4 | Low | 59.9 | Low | 150 Ų | 150 | 148.4 Ų | 148.4 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 116.6 | 172.8 | -60.2 | 173.4 | 0 | 0 | 0 | 107.3 | I118 | I118-I120 HydrophobicContact CG2-CG1 4.36Š|
| 121 | P | 65.6 | Low | 59.8 | Low | 102 Ų | 102 | 144.5 Ų | 144.5 | 66% | 0.662 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 142.9 | 179.7 | 27.1 | -32.9 | 0 | 0 | 0 | 110.2 | A119 K123 | A119-P121 WeakPolarHBondContact O-CD 3.49Å; P121-K123 PolarHBondContact O-N 3.18Å |
| 122 | P | 60.2 | Low | 59.3 | Low | 123 Ų | 123 | 144.1 Ų | 144.1 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -62 | 130.1 | 178.2 | 25 | -32.5 | 0 | 0 | 0 | 110.1 | K124 | P122-K124 PolarHBondContact O-N 3.38Š|
| 123 | K | 63.1 | Low | 58.8 | Low | 197 Ų | 197 | 142.5 Ų | 142.5 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 120.4 | 172.9 | -74.2 | -176.5 | 177.4 | 179.7 | 0 | 108.5 | P121 L125 | P121-K123 PolarHBondContact O-N 3.18Å; K123-L125 PolarHBondContact O-N 3.04Å |
| 124 | K | 54.7 | Low | 58.3 | Low | 196 Ų | 196 | 142 Ų | 142 | 85% | 0.852 | 75% | 0.752 | S | S | * | * | | | trans | -65.6 | 102.8 | 169.6 | -74.4 | -171.6 | 176.7 | -176.6 | 0 | 108.5 | P122 Q126 | P122-K124 PolarHBondContact O-N 3.38Å; K124-Q126 PolarHBondContact O-N 3.17Å |
| 125 | L | 62.3 | Low | 58.2 | Low | 147 Ų | 147 | 140.4 Ų | 140.4 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | | | trans | -73.1 | 105.5 | 159.8 | -74.6 | 167.5 | 0 | 0 | 0 | 106.9 | K123 D127 | K123-L125 PolarHBondContact O-N 3.04Å; L125-D127 PolarHBondContact O-N 3.19Å; L125-D127 VanDerWaalsContact O-N 3.07Å |
| 126 | Q | 57.8 | Low | 57.7 | Low | 180 Ų | 180 | 141.1 Ų | 141.1 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | | | trans | -77.2 | 74.7 | 163.9 | -71.9 | -173.9 | 27.3 | 0 | 0 | 108.1 | K124 K128 | K124-Q126 PolarHBondContact O-N 3.17Å; Q126-K128 PolarHBondContact O-N 3.26Å |
| 127 | D | 59.1 | Low | 57.1 | Low | 130 Ų | 130 | 143.8 Ų | 143.8 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | | | trans | -75.5 | 91.6 | 162.2 | -73.3 | -22.1 | 0 | 0 | 0 | 106.8 | L125 I129 | L125-D127 PolarHBondContact O-N 3.19Å; L125-D127 VanDerWaalsContact O-N 3.07Å; D127-I129 VanDerWaalsContact C-N 3.28Å; D127-I129 PolarHBondContact O-N 3.29Å |
| 128 | K | 54.1 | Low | 56.4 | Low | 178 Ų | 178 | 141.3 Ų | 141.3 | 77% | 0.774 | 76% | 0.756 | S | S | * | * | | | trans | -63.3 | 93.6 | 169.3 | -174.3 | -177 | -177.7 | -172.6 | 0 | 107 | Q126 I130 | Q126-K128 PolarHBondContact O-N 3.26Å; K128-I130 VanDerWaalsContact C-N 3.34Å; K128-I130 HydrophobicContact CD-CG1 4.34Å; K128-I130 HydrophobicContact CG-CG1 4.21Å; K128-I130 PolarHBondContact O-N 2.84Å |
| 129 | I | 56.5 | Low | 55.4 | Low | 145 Ų | 145 | 140.7 Ų | 140.7 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | | | trans | -64.2 | 100.2 | 167.9 | -60.6 | 173.8 | 0 | 0 | 0 | 106.2 | D127 I131 | D127-I129 VanDerWaalsContact C-N 3.28Å; D127-I129 PolarHBondContact O-N 3.29Å; I129-I131 HydrophobicContact CG2-CG1 4.15Å; I129-I131 PolarHBondContact O-N 2.85Å |
| 130 | I | 58.5 | Low | 55 | Low | 131 Ų | 131 | 142.5 Ų | 142.5 | 67% | 0.672 | 76% | 0.76 | S | S | * | * | | | trans | -76.5 | 101.5 | 168.2 | -60.2 | 174 | 0 | 0 | 0 | 105.6 | K128 P132 | K128-I130 VanDerWaalsContact C-N 3.34Å; K128-I130 HydrophobicContact CD-CG1 4.34Å; K128-I130 HydrophobicContact CG-CG1 4.21Å; K128-I130 PolarHBondContact O-N 2.84Å; I130-P132 WeakPolarHBondContact O-CD 3.37Å |
| 131 | I | 59.2 | Low | 53.7 | Low | 133 Ų | 133 | 143.4 Ų | 143.4 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | | | trans | -71 | 120.9 | 169.2 | -57.8 | 170.6 | 0 | 0 | 0 | 106.3 | I129 T133 | I129-I131 HydrophobicContact CG2-CG1 4.15Å; I129-I131 PolarHBondContact O-N 2.85Å; I131-T133 PolarHBondContact O-N 3.25Å |
| 132 | P | 50.8 | Low | 52.8 | Low | 108 Ų | 108 | 144 Ų | 144 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | | | trans | -69 | 115.6 | 173.6 | 26.7 | -30.5 | 0 | 0 | 0 | 109 | I130 I134 | I130-P132 WeakPolarHBondContact O-CD 3.37Å; P132-I134 PolarHBondContact O-N 2.91Å; P132-I134 VanDerWaalsContact O-N 3.15Å |
| 133 | T | 47.5 | Very low | 52.4 | Low | 115 Ų | 115 | 144.6 Ų | 144.6 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | trans | -63.6 | 109.4 | 169.6 | -56.1 | 0 | 0 | 0 | 0 | 108.7 | I131 N135 | I131-T133 PolarHBondContact O-N 3.25Å; T133-N135 PolarHBondContact O-N 3.1Å |
| 134 | I | 50 | Low | 51.5 | Low | 158 Ų | 158 | 140.8 Ų | 140.8 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | | | trans | -73.9 | 102.8 | 169.4 | -63.2 | 171.4 | 0 | 0 | 0 | 106.6 | P132 | P132-I134 PolarHBondContact O-N 2.91Å; P132-I134 VanDerWaalsContact O-N 3.15Å |
| 135 | N | 57.3 | Low | 51 | Low | 130 Ų | 130 | 135.6 Ų | 135.6 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | | | trans | -75 | 140.8 | 164.9 | -64.4 | -25.8 | 0 | 0 | 0 | 108.2 | T133 | T133-N135 PolarHBondContact O-N 3.1Š|
| 136 | T | 46.9 | Very low | 50.1 | Low | 120 Ų | 120 | 134.7 Ų | 134.7 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | | | trans | 123.6 | 105.3 | 162.1 | -48.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 137 | I | 46.3 | Very low | 49.1 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | | | | -161.1 | 135 | 110.6 | -78.4 | 141.2 | 0 | 0 | 0 | 107.2 | | |
| 138 | T | 46.2 | Very low | 48.3 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | | | trans | -56.6 | 123.5 | -173.7 | -25.1 | 0 | 0 | 0 | 0 | 112.9 | V140 | T138-V140 PolarHBondContact O-N 2.98Š|
| 139 | T | 40 | Very low | 47.6 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 83% | 0.828 | 76% | 0.761 | S | S | * | * | | | trans | -73.6 | 114.7 | 169.1 | -59.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 140 | V | 50.3 | Low | 47 | Very low | 128 Ų | 128 | 132 Ų | 132 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 127.9 | 165.5 | 177.6 | 0 | 0 | 0 | 0 | 107.8 | T138 | T138-V140 PolarHBondContact O-N 2.98Š|
| 141 | E | 41.4 | Very low | 46.1 | Very low | 169 Ų | 169 | 131.9 Ų | 131.9 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 128.2 | 177.9 | -175.1 | -178.8 | 174.5 | 0 | 0 | 111.2 | | |
| 142 | P | 46 | Very low | 45.1 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 123.6 | 175.5 | 29.9 | -29.9 | 0 | 0 | 0 | 111.2 | | |
| 143 | T | 52.3 | Low | 44.3 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 131.1 | 171.5 | -51.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 144 | P | 44.9 | Very low | 43.7 | Very low | 118 Ų | 118 | 136 Ų | 136 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 138.1 | 177.6 | 29 | -31.6 | 0 | 0 | 0 | 112.4 | | |
| 145 | A | 44.3 | Very low | 42.9 | Very low | 87 Ų | 87 | 134.8 Ų | 134.8 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 149.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 146 | P | 43.2 | Very low | 41.6 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 130.1 | -178.1 | 30.3 | -32.1 | 0 | 0 | 0 | 112.7 | | |
| 147 | T | 36.7 | Very low | 40.9 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 134.5 | 167.4 | -60.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 148 | I | 42.1 | Very low | 40.6 | Very low | 164 Ų | 164 | 131 Ų | 131 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | | | trans | -131.5 | 132 | 160.6 | -62.9 | -176.7 | 0 | 0 | 0 | 109.5 | | |
| 149 | E | 39.2 | Very low | 40 | Very low | 158 Ų | 158 | 133.3 Ų | 133.3 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | | | trans | -78.8 | 161.2 | -167.5 | -63.4 | 176 | 151.6 | 0 | 0 | 114.1 | | |
| 150 | P | 44.3 | Very low | 39.6 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | | | trans | -85.6 | 128.8 | 171.8 | 33.9 | -28.3 | 0 | 0 | 0 | 110.7 | | |
| 151 | T | 38.8 | Very low | 38.8 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | -125.8 | 124.6 | 169.5 | -72.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 152 | V | 39.2 | Very low | 38.6 | Very low | 131 Ų | 131 | 131 Ų | 131 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | | | trans | -85.7 | 131.2 | 173.4 | 174.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 153 | D | 33.2 | Very low | 38.2 | Very low | 162 Ų | 162 | 134.3 Ų | 134.3 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | | | trans | -154.3 | 140.8 | 145.3 | -108.1 | -26.1 | 0 | 0 | 0 | 112.8 | | |
| 154 | N | 34.9 | Very low | 37.7 | Very low | 150 Ų | 150 | 133 Ų | 133 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | | | trans | -78.8 | 156.1 | -174 | -140.6 | 6.5 | 0 | 0 | 0 | 110.5 | | |
| 155 | V | 33.1 | Very low | 37.4 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | | | trans | 166.7 | 102.6 | 142.8 | 160.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 156 | V | 30.7 | Very low | 37.4 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | | | trans | 43.9 | 104.6 | 130.1 | -172.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 157 | T | 31.3 | Very low | 37.2 | Very low | 127 Ų | 127 | 137.1 Ų | 137.1 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | | | | 30.9 | 157.6 | 128.2 | 31.7 | 0 | 0 | 0 | 0 | 122.1 | | |
| 158 | P | 41.5 | Very low | 37.5 | Very low | 87 Ų | 87 | 136.7 Ų | 136.7 | 57% | 0.565 | 77% | 0.766 | S | S | * | * | | | cis | -145.1 | -177.4 | 31.6 | 35.5 | -11.4 | 0 | 0 | 0 | 117.5 | | |
| 159 | E | 32.7 | Very low | 37.8 | Very low | 173 Ų | 173 | 135.2 Ų | 135.2 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | | | trans | 69.5 | 139.5 | 154.5 | -68.1 | 139.6 | -149.5 | 0 | 0 | 117.3 | | |
| 160 | D | 32.3 | Very low | 38.3 | Very low | 121 Ų | 121 | 133 Ų | 133 | 65% | 0.647 | 76% | 0.763 | S | S | * | * | | | cis | -172.4 | 150.6 | -13.2 | -148.8 | 4.2 | 0 | 0 | 0 | 104.6 | | |
| 161 | F | 33 | Very low | 38.1 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 75% | 0.746 | 76% | 0.764 | S | S | * | * | | | trans | 42.3 | 123.3 | 151.9 | -70.9 | -56.8 | 0 | 0 | 0 | 124 | | |
| 162 | S | 36.2 | Very low | 38.1 | Very low | 93 Ų | 93 | 135.2 Ų | 135.2 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | | | | 91.5 | 122.8 | 118.6 | -60.6 | 0 | 0 | 0 | 0 | 121.7 | | |
| 163 | E | 39.3 | Very low | 38.9 | Very low | 182 Ų | 182 | 135.3 Ų | 135.3 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | | | trans | 18.3 | 114.1 | 133.9 | -63.2 | -178.5 | 167.6 | 0 | 0 | 118.7 | | |
| 164 | S | 40.2 | Very low | 39.4 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | | | trans | -171.3 | 109.8 | 145.9 | 41.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 165 | I | 38.9 | Very low | 39.9 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | | | | 46.5 | 106.1 | 67.1 | -52.8 | 177.6 | 0 | 0 | 0 | 111.9 | | |
| 166 | I | 45.3 | Very low | 40.2 | Very low | 158 Ų | 158 | 131 Ų | 131 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | | | trans | -159.3 | 104.7 | 135 | -63 | -159 | 0 | 0 | 0 | 107.1 | | |
| 167 | T | 39.1 | Very low | 40.7 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 69% | 0.693 | 76% | 0.756 | S | S | * | * | | | | 81.9 | 114.1 | 87.7 | -51 | 0 | 0 | 0 | 0 | 114.8 | | |
| 168 | S | 42 | Very low | 41.5 | Very low | 119 Ų | 119 | 131 Ų | 131 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | | | trans | -175.2 | 96.9 | 130.9 | 34.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 169 | T | 48.6 | Very low | 41.7 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 82% | 0.816 | 76% | 0.762 | S | S | * | * | | | trans | -78.6 | 147 | 144.5 | -22 | 0 | 0 | 0 | 0 | 107 | | |
| 170 | P | 49.1 | Very low | 42.9 | Very low | 110 Ų | 110 | 130.4 Ų | 130.4 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | | | | -148.7 | 177.6 | 78.5 | 37.7 | -14.9 | 0 | 0 | 0 | 111.6 | | |
| 171 | E | 41.2 | Very low | 43.5 | Very low | 182 Ų | 182 | 131.2 Ų | 131.2 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | | | cis | -148.6 | 145.5 | 29.8 | -77.2 | 179.7 | 142.7 | 0 | 0 | 111.8 | | |
| 172 | T | 39.2 | Very low | 44.1 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | trans | -87.6 | 129 | 169.7 | -65.7 | 0 | 0 | 0 | 0 | 109.1 | T174 | T172-T174 HydrophobicContact CG2-CG2 3.95Š|
| 173 | T | 54.6 | Low | 44.5 | Very low | 132 Ų | 132 | 133.2 Ų | 133.2 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | | | trans | -106.6 | 103 | 162.9 | -57 | 0 | 0 | 0 | 0 | 109.3 | V175 | T173-V175 HydrophobicContact CG2-CG2 4.47Š|
| 174 | T | 45 | Very low | 44.7 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 72% | 0.724 | 81% | 0.808 | S | S | * | * | | | trans | -89.8 | 126.5 | 165.1 | 41.8 | 0 | 0 | 0 | 0 | 109.3 | T172 | T172-T174 HydrophobicContact CG2-CG2 3.95Š|
| 175 | V | 44.8 | Very low | 45 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | | | trans | -126.9 | 119.1 | 156 | 179.6 | 0 | 0 | 0 | 0 | 107.4 | T173 | T173-V175 HydrophobicContact CG2-CG2 4.47Š|
| 176 | S | 39.2 | Very low | 45.4 | Very low | 97 Ų | 97 | 130.9 Ų | 130.9 | 68% | 0.678 | 81% | 0.814 | S | S | * | * | | | trans | -121.3 | 170.2 | 171.4 | 46.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 177 | V | 42.4 | Very low | 45.4 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | | | trans | 102.2 | 136 | 166.8 | -176.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 178 | T | 46.4 | Very low | 45.8 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 71% | 0.706 | 82% | 0.822 | S | S | * | * | | | cis | -173.8 | 142.6 | -21.7 | -77.2 | 0 | 0 | 0 | 0 | 103.5 | | |
| 179 | T | 47.5 | Very low | 46.1 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 77% | 0.767 | 82% | 0.822 | S | S | * | * | | | trans | -76.7 | 143.3 | 170.4 | 45.7 | 0 | 0 | 0 | 0 | 112 | | |
| 180 | P | 56.4 | Low | 45.9 | Very low | 124 Ų | 124 | 130.9 Ų | 130.9 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | | | trans | -107 | 127.7 | 153 | 31.7 | -20.7 | 0 | 0 | 0 | 110.9 | | |
| 181 | T | 44.6 | Very low | 45.6 | Very low | 137 Ų | 137 | 132.7 Ų | 132.7 | 84% | 0.84 | 83% | 0.831 | S | S | * | * | | | trans | -79.7 | 135.6 | 161.3 | -54.2 | 0 | 0 | 0 | 0 | 109 | | |
| 182 | A | 45.9 | Very low | 46 | Very low | 171 Ų | 171 | 128.2 Ų | 128.2 | 100% | 1.413 | 83% | 0.829 | S | S | * | * | | | trans | -147.5 | 0 | 146.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |