| 1 | M | 49.4 | Very low | 69.2 | Low | 231 Ų | 231 | 114.2 Ų | 114.2 | 100% | 1.138 | 62% | 0.624 | S | S | * | * | | | | 0 | 118.7 | 0 | -64.2 | 168.1 | 85.4 | 0 | 0 | 106.8 | P3 | M1-P3 VanDerWaalsContact O-CD 3.26Å; M1-P3 WeakPolarHBondContact O-CD 3.26Å |
| 2 | T | 59.8 | Low | 70.7 | Confident | 116 Ų | 116 | 113.4 Ų | 113.4 | 71% | 0.712 | 62% | 0.618 | S | S | * | * | | | trans | -72.3 | 111.8 | 177.5 | 34.5 | 0 | 0 | 0 | 0 | 109.2 | G4 | T2-G4 PolarHBondContact O-N 3Š|
| 3 | P | 55.8 | Low | 72 | Confident | 135 Ų | 135 | 111.5 Ų | 111.5 | 88% | 0.877 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 31 | -170.2 | 34 | -35 | 0 | 0 | 0 | 113.2 | M1 | M1-P3 VanDerWaalsContact O-CD 3.26Å; M1-P3 WeakPolarHBondContact O-CD 3.26Å |
| 4 | G | 61 | Low | 73.2 | Confident | 18 Ų | 18 | 110.2 Ų | 110.2 | 19% | 0.186 | 60% | 0.598 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -117.2 | -21.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115 | T2 F10 | T2-G4 PolarHBondContact O-N 3Å; G4-F10 WeakPolarHBondContact O-CD1 3.47Å |
| 5 | T | 60.1 | Low | 73.9 | Confident | 99 Ų | 99 | 109.8 Ų | 109.8 | 61% | 0.607 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -9.4 | -173.6 | 46.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 6 | Q | 65 | Low | 74.7 | Confident | 181 Ų | 181 | 108.6 Ų | 108.6 | 85% | 0.846 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -11.7 | 177.9 | -67 | -167.4 | -4.9 | 0 | 0 | 113.7 | P8 | Q6-P8 WeakPolarHBondContact O-CD 3.1Š|
| 7 | S | 78.3 | Confident | 75.4 | Confident | 50 Ų | 50 | 106.9 Ų | 106.9 | 35% | 0.35 | 59% | 0.585 | S | S | . | * | | | trans | -87 | 115.1 | 179.8 | -179.2 | 0 | 0 | 0 | 0 | 110 | F9 F10 L11 | S7-F9 PolarHBondContact O-N 3.23Å; S7-F10 WeakPolarHBondContact O-CB 3.3Å; S7-F10 PolarHBondContact O-N 2.84Å; S7-L11 PolarHBondContact O-N 3.3Å |
| 8 | P | 78.1 | Confident | 75.7 | Confident | 95 Ų | 95 | 106.8 Ų | 106.8 | 62% | 0.617 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.7 | -28.9 | 175.9 | 25.3 | -33.5 | 0 | 0 | 0 | 111.5 | Q6 L11 L12 | Q6-P8 WeakPolarHBondContact O-CD 3.1Å; P8-L11 PolarHBondContact O-N 2.91Å; P8-L12 VanDerWaalsContact O-CG 3.31Å; P8-L12 WeakPolarHBondContact O-CG 3.41Å; P8-L12 PolarHBondContact O-N 3.43Å; P8-L12 VanDerWaalsContact O-N 3.07Å |
| 9 | F | 84 | Confident | 75.8 | Confident | 147 Ų | 147 | 105.4 Ų | 105.4 | 65% | 0.645 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.6 | -38.3 | 175.7 | -173.6 | -97.9 | 0 | 0 | 0 | 112.6 | S7 L12 L13 | S7-F9 PolarHBondContact O-N 3.23Å; F9-L12 PolarHBondContact O-N 2.94Å; F9-L13 WeakPolarHBondContact O-CB 3.45Å; F9-L13 PolarHBondContact O-N 3.43Å |
| 10 | F | 84.1 | Confident | 75.6 | Confident | 89 Ų | 89 | 104 Ų | 104 | 39% | 0.39 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.1 | -38.4 | 178.7 | -173.5 | -103.3 | 0 | 0 | 0 | 111.7 | G4 S7 L13 L14 | G4-F10 WeakPolarHBondContact O-CD1 3.47Å; S7-F10 WeakPolarHBondContact O-CB 3.3Å; S7-F10 PolarHBondContact O-N 2.84Å; F10-L13 PolarHBondContact O-N 3.38Å; F10-L14 HydrophobicContact CD1-CD1 3.86Å; F10-L14 HydrophobicContact CD1-CG 4.38Å; F10-L14 HydrophobicContact CE1-CD1 3.49Å; F10-L14 VanDerWaalsContact CE1-CD1 3.49Å; F10-L14 HydrophobicContact CE1-CG 4.11Å; F10-L14 HydrophobicContact CZ-CD1 4.15Å; F10-L14 HydrophobicContact CZ-CG 4.37Å; F10-L14 WeakPolarHBondContact O-CG 3.49Å; F10-L14 PolarHBondContact O-N 3.07Å |
| 11 | L | 86 | Confident | 75.2 | Confident | 95 Ų | 95 | 104 Ų | 104 | 50% | 0.497 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66 | -40.6 | 174 | -62.7 | 176.4 | 0 | 0 | 0 | 112 | S7 P8 L13 L14 L15 | S7-L11 PolarHBondContact O-N 3.3Å; P8-L11 PolarHBondContact O-N 2.91Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L11-L14 PolarHBondContact O-N 2.99Å; L11-L15 VanDerWaalsContact O-CB 3.28Å; L11-L15 WeakPolarHBondContact O-CB 3.33Å; L11-L15 PolarHBondContact O-N 2.97Å |
| 12 | L | 86.6 | Confident | 75.8 | Confident | 105 Ų | 105 | 97 Ų | 97 | 55% | 0.55 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64 | -40.1 | 174.7 | -71.2 | 170.8 | 0 | 0 | 0 | 111.9 | P8 F9 L15 T16 | P8-L12 VanDerWaalsContact O-CG 3.31Å; P8-L12 WeakPolarHBondContact O-CG 3.41Å; P8-L12 PolarHBondContact O-N 3.43Å; P8-L12 VanDerWaalsContact O-N 3.07Å; F9-L12 PolarHBondContact O-N 2.94Å; L12-L15 PolarHBondContact O-N 2.78Å; L12-T16 WeakPolarHBondContact O-CB 3.44Å; L12-T16 PolarHBondContact O-N 3.26Å; L12-T16 PolarHBondContact O-OG1 3.38Å |
| 13 | L | 87.9 | Confident | 75.5 | Confident | 89 Ų | 89 | 95.6 Ų | 95.6 | 47% | 0.466 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.6 | -47.3 | 176 | -176.5 | 64.6 | 0 | 0 | 0 | 111.1 | F9 F10 L11 L15 T16 V17 | F9-L13 WeakPolarHBondContact O-CB 3.45Å; F9-L13 PolarHBondContact O-N 3.43Å; F10-L13 PolarHBondContact O-N 3.38Å; L11-L13 VanDerWaalsContact C-N 3.35Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 3.11Å; L13-T16 PolarHBondContact O-N 3.35Å; L13-V17 HydrophobicContact CD1-CG2 4.36Å; L13-V17 WeakPolarHBondContact O-CB 3.25Å; L13-V17 VanDerWaalsContact O-CG2 3.3Å; L13-V17 WeakPolarHBondContact O-CG2 3.15Å; L13-V17 PolarHBondContact O-N 2.97Å |
| 14 | L | 88.9 | Confident | 75.5 | Confident | 93 Ų | 93 | 94.1 Ų | 94.1 | 49% | 0.487 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 175 | -75.4 | 177.1 | 0 | 0 | 0 | 111.7 | F10 L11 T16 V17 L18 | F10-L14 HydrophobicContact CD1-CD1 3.86Å; F10-L14 HydrophobicContact CD1-CG 4.38Å; F10-L14 HydrophobicContact CE1-CD1 3.49Å; F10-L14 VanDerWaalsContact CE1-CD1 3.49Å; F10-L14 HydrophobicContact CE1-CG 4.11Å; F10-L14 HydrophobicContact CZ-CD1 4.15Å; F10-L14 HydrophobicContact CZ-CG 4.37Å; F10-L14 WeakPolarHBondContact O-CG 3.49Å; F10-L14 PolarHBondContact O-N 3.07Å; L11-L14 PolarHBondContact O-N 2.99Å; L14-T16 VanDerWaalsContact C-N 3.34Å; L14-T16 PolarHBondContact O-N 3.4Å; L14-V17 PolarHBondContact O-N 2.83Å; L14-L18 WeakPolarHBondContact O-CB 3.18Å; L14-L18 PolarHBondContact O-N 2.83Å |
| 15 | L | 84.1 | Confident | 75 | Confident | 104 Ų | 104 | 102.8 Ų | 102.8 | 55% | 0.545 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.3 | -42.3 | 177.6 | -177 | 62.1 | 0 | 0 | 0 | 111.2 | L11 L12 L13 T19 | L11-L15 VanDerWaalsContact O-CB 3.28Å; L11-L15 WeakPolarHBondContact O-CB 3.33Å; L11-L15 PolarHBondContact O-N 2.97Å; L12-L15 PolarHBondContact O-N 2.78Å; L13-L15 VanDerWaalsContact C-N 3.34Å; L13-L15 PolarHBondContact O-N 3.11Å; L15-T19 WeakPolarHBondContact O-CB 3.3Å; L15-T19 PolarHBondContact O-N 2.63Å; L15-T19 PolarHBondContact O-OG1 3Å |
| 16 | T | 85.5 | Confident | 74.4 | Confident | 91 Ų | 91 | 102.3 Ų | 102.3 | 56% | 0.558 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.9 | -45.8 | 178.6 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | L12 L13 L14 T19 A20 | L12-T16 WeakPolarHBondContact O-CB 3.44Å; L12-T16 PolarHBondContact O-N 3.26Å; L12-T16 PolarHBondContact O-OG1 3.38Å; L13-T16 PolarHBondContact O-N 3.35Å; L14-T16 VanDerWaalsContact C-N 3.34Å; L14-T16 PolarHBondContact O-N 3.4Å; T16-T19 PolarHBondContact O-N 2.84Å; T16-A20 VanDerWaalsContact O-CB 3.25Å; T16-A20 WeakPolarHBondContact O-CB 3.32Å; T16-A20 PolarHBondContact O-N 3.43Å |
| 17 | V | 87 | Confident | 73.8 | Confident | 79 Ų | 79 | 98.3 Ų | 98.3 | 48% | 0.479 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.3 | -41.2 | 178.1 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | L13 L14 A20 T21 | L13-V17 HydrophobicContact CD1-CG2 4.36Å; L13-V17 WeakPolarHBondContact O-CB 3.25Å; L13-V17 VanDerWaalsContact O-CG2 3.3Å; L13-V17 WeakPolarHBondContact O-CG2 3.15Å; L13-V17 PolarHBondContact O-N 2.97Å; L14-V17 PolarHBondContact O-N 2.83Å; V17-A20 PolarHBondContact O-N 2.89Å; V17-T21 HydrophobicContact CG1-CG2 4.5Å; V17-T21 WeakPolarHBondContact O-CB 3.28Å; V17-T21 VanDerWaalsContact O-CG2 3.3Å; V17-T21 WeakPolarHBondContact O-CG2 3.31Å; V17-T21 PolarHBondContact O-N 3.47Å; V17-T21 PolarHBondContact O-OG1 2.86Å |
| 18 | L | 81.5 | Confident | 72.5 | Confident | 106 Ų | 106 | 100.7 Ų | 100.7 | 56% | 0.555 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.5 | -45.5 | 175.4 | -173.2 | 62 | 0 | 0 | 0 | 110.8 | L14 A20 T21 T22 | L14-L18 WeakPolarHBondContact O-CB 3.18Å; L14-L18 PolarHBondContact O-N 2.83Å; L18-A20 VanDerWaalsContact C-N 3.3Å; L18-A20 PolarHBondContact O-N 2.72Å; L18-T21 PolarHBondContact O-N 3.27Å; L18-T21 PolarHBondContact O-OG1 3.47Å; L18-T21 VanDerWaalsContact O-OG1 3.11Å; L18-T22 PolarHBondContact O-N 3.43Å; L18-T22 PolarHBondContact O-OG1 2.86Å |
| 19 | T | 76.7 | Confident | 71.4 | Confident | 80 Ų | 80 | 102.2 Ų | 102.2 | 49% | 0.491 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.5 | -31.7 | 177.4 | -56 | 0 | 0 | 0 | 0 | 112.4 | L15 T16 | L15-T19 WeakPolarHBondContact O-CB 3.3Å; L15-T19 PolarHBondContact O-N 2.63Å; L15-T19 PolarHBondContact O-OG1 3Å; T16-T19 PolarHBondContact O-N 2.84Å |
| 20 | A | 72.5 | Confident | 69.3 | Low | 76 Ų | 76 | 100.7 Ų | 100.7 | 63% | 0.628 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -78 | -28.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T16 V17 L18 | T16-A20 VanDerWaalsContact O-CB 3.25Å; T16-A20 WeakPolarHBondContact O-CB 3.32Å; T16-A20 PolarHBondContact O-N 3.43Å; V17-A20 PolarHBondContact O-N 2.89Å; L18-A20 VanDerWaalsContact C-N 3.3Å; L18-A20 PolarHBondContact O-N 2.72Å |
| 21 | T | 66.3 | Low | 67.9 | Low | 105 Ų | 105 | 102.9 Ų | 102.9 | 64% | 0.644 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -90.1 | -23.3 | -178.9 | 51.2 | 0 | 0 | 0 | 0 | 112.8 | V17 L18 | V17-T21 HydrophobicContact CG1-CG2 4.5Å; V17-T21 WeakPolarHBondContact O-CB 3.28Å; V17-T21 VanDerWaalsContact O-CG2 3.3Å; V17-T21 WeakPolarHBondContact O-CG2 3.31Å; V17-T21 PolarHBondContact O-N 3.47Å; V17-T21 PolarHBondContact O-OG1 2.86Å; L18-T21 PolarHBondContact O-N 3.27Å; L18-T21 PolarHBondContact O-OG1 3.47Å; L18-T21 VanDerWaalsContact O-OG1 3.11Å |
| 22 | T | 61.8 | Low | 65.6 | Low | 84 Ų | 84 | 101 Ų | 101 | 52% | 0.515 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -89.2 | 100.3 | 162.6 | 56.9 | 0 | 0 | 0 | 0 | 108.5 | L18 | L18-T22 PolarHBondContact O-N 3.43Å; L18-T22 PolarHBondContact O-OG1 2.86Å |
| 23 | A | 53.8 | Low | 64.3 | Low | 86 Ų | 86 | 102.1 Ų | 102.1 | 71% | 0.711 | 64% | 0.638 | S | S | * | * | | | trans | -31.5 | 124.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K25 | A23-K25 PolarHBondContact O-N 2.91Š|
| 24 | P | 56.3 | Low | 62 | Low | 105 Ų | 105 | 101.1 Ų | 101.1 | 68% | 0.682 | 65% | 0.649 | S | S | * | * | | | trans | -62.9 | 113.3 | 174 | 26.5 | -29.7 | 0 | 0 | 0 | 105.3 | P26 | P24-P26 VanDerWaalsContact C-CD 3.45Å; P24-P26 VanDerWaalsContact C-N 3.35Å; P24-P26 WeakPolarHBondContact O-CD 2.91Å |
| 25 | K | 50.4 | Low | 60.1 | Low | 199 Ų | 199 | 106.5 Ų | 106.5 | 87% | 0.865 | 67% | 0.671 | S | S | * | * | | | trans | -78.8 | 97.9 | 153 | -167.5 | 175.2 | -178.6 | 77.7 | 0 | 103.2 | A23 A27 | A23-K25 PolarHBondContact O-N 2.91Å; K25-A27 PolarHBondContact O-N 3.39Å |
| 26 | P | 47.8 | Very low | 58 | Low | 90 Ų | 90 | 105.9 Ų | 105.9 | 58% | 0.584 | 68% | 0.681 | S | S | * | * | | | trans | -59.8 | 113.7 | 171.1 | 27 | -33.3 | 0 | 0 | 0 | 105.5 | P24 T28 | P24-P26 VanDerWaalsContact C-CD 3.45Å; P24-P26 VanDerWaalsContact C-N 3.35Å; P24-P26 WeakPolarHBondContact O-CD 2.91Å; P26-T28 HydrophobicContact CB-CG2 4.29Å; P26-T28 PolarHBondContact O-N 3.33Å |
| 27 | A | 53.3 | Low | 56.1 | Low | 96 Ų | 96 | 107.1 Ų | 107.1 | 79% | 0.793 | 69% | 0.693 | S | S | * | * | | | trans | -66.3 | 75.6 | 149.5 | 0 | 0 | 0 | 0 | 0 | 105.3 | K25 V29 | K25-A27 PolarHBondContact O-N 3.39Å; A27-V29 PolarHBondContact O-N 3.07Å |
| 28 | T | 49.9 | Very low | 53.8 | Low | 101 Ų | 101 | 109 Ų | 109 | 62% | 0.62 | 71% | 0.71 | S | S | * | * | | | trans | -54.8 | 100.4 | 157.3 | 31.7 | 0 | 0 | 0 | 0 | 104.9 | P26 V30 | P26-T28 HydrophobicContact CB-CG2 4.29Å; P26-T28 PolarHBondContact O-N 3.33Å; T28-V30 PolarHBondContact O-N 3.2Å |
| 29 | V | 55.8 | Low | 52 | Low | 126 Ų | 126 | 110.2 Ų | 110.2 | 76% | 0.764 | 72% | 0.722 | S | S | * | * | | | trans | -58.5 | 89.9 | 148.2 | 178.3 | 0 | 0 | 0 | 0 | 103.9 | A27 T31 | A27-V29 PolarHBondContact O-N 3.07Å; V29-T31 PolarHBondContact O-N 3.16Å |
| 30 | V | 39.3 | Very low | 50.5 | Low | 116 Ų | 116 | 112.3 Ų | 112.3 | 70% | 0.703 | 74% | 0.737 | S | S | * | * | | | trans | -68.9 | 94.6 | 165.5 | 175.1 | 0 | 0 | 0 | 0 | 103.9 | T28 G32 | T28-V30 PolarHBondContact O-N 3.2Å; V30-G32 PolarHBondContact O-N 2.92Å |
| 31 | T | 53.8 | Low | 48.8 | Very low | 134 Ų | 134 | 112.2 Ų | 112.2 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | | | trans | -64.9 | 74.8 | 158.8 | -24.6 | 0 | 0 | 0 | 0 | 106.5 | V29 S33 | V29-T31 PolarHBondContact O-N 3.16Å; T31-S33 PolarHBondContact O-N 2.92Å |
| 32 | G | 38.8 | Very low | 47.7 | Very low | 57 Ų | 57 | 110.9 Ų | 110.9 | 59% | 0.588 | 75% | 0.75 | S | S | * | * | | | trans | -81.4 | 98.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | V30 G34 | V30-G32 PolarHBondContact O-N 2.92Å; G32-G34 PolarHBondContact O-N 3.42Å |
| 33 | S | 59.4 | Low | 46.6 | Very low | 127 Ų | 127 | 115.7 Ų | 115.7 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | | | trans | -63.7 | 101.7 | 158.7 | 58.2 | 0 | 0 | 0 | 0 | 107.9 | T31 | T31-S33 PolarHBondContact O-N 2.92Š|
| 34 | G | 39.3 | Very low | 46.5 | Very low | 68 Ų | 68 | 120.1 Ų | 120.1 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | | | trans | -149.2 | 102.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | G32 A36 | G32-G34 PolarHBondContact O-N 3.42Å; G34-A36 PolarHBondContact O-N 2.81Å |
| 35 | H | 49.6 | Very low | 45.6 | Very low | 207 Ų | 207 | 124.1 Ų | 124.1 | 96% | 0.958 | 78% | 0.779 | S | S | * | * | | | trans | -54.7 | 117.9 | 166.3 | -101.8 | 69.7 | 0 | 0 | 0 | 110.1 | | |
| 36 | A | 39.4 | Very low | 45.3 | Very low | 91 Ų | 91 | 119.1 Ų | 119.1 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | | | trans | -158.3 | 93 | 152.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | G34 | G34-A36 PolarHBondContact O-N 2.81Š|
| 37 | S | 45.8 | Very low | 45.5 | Very low | 117 Ų | 117 | 119.9 Ų | 119.9 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | 14.3 | 115 | 140.9 | 159.4 | 0 | 0 | 0 | 0 | 117.6 | | |
| 38 | S | 38.8 | Very low | 44.9 | Very low | 117 Ų | 117 | 120 Ų | 120 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -149.5 | 99.7 | 140.3 | 60 | 0 | 0 | 0 | 0 | 109.8 | | |
| 39 | T | 43.6 | Very low | 45 | Very low | 132 Ų | 132 | 121.4 Ų | 121.4 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | | | trans | -99.2 | 137.3 | 157.2 | -18 | 0 | 0 | 0 | 0 | 106.2 | | |
| 40 | P | 44.8 | Very low | 44.5 | Very low | 125 Ų | 125 | 123.5 Ų | 123.5 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | | -152.6 | 147.4 | 91 | 36.4 | -17.2 | 0 | 0 | 0 | 115.9 | | |
| 41 | G | 36.5 | Very low | 44.8 | Very low | 74 Ų | 74 | 128.3 Ų | 128.3 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | | | | 91 | 119 | 127 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 42 | G | 44.3 | Very low | 44.6 | Very low | 76 Ų | 76 | 127.5 Ų | 127.5 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | | | trans | 68.5 | 145.4 | 145.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 43 | E | 37.6 | Very low | 45.2 | Very low | 186 Ų | 186 | 129.3 Ų | 129.3 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | | | cis | -171.8 | 145.9 | -0.4 | 51.4 | -162.4 | 119.1 | 0 | 0 | 105.9 | | |
| 44 | K | 52.8 | Low | 45.1 | Very low | 179 Ų | 179 | 128.7 Ų | 128.7 | 78% | 0.778 | 78% | 0.784 | S | S | * | * | | | trans | 5.6 | 111.9 | 155.2 | -169.9 | 176.5 | -173.4 | -68.5 | 0 | 117.8 | T46 | K44-T46 PolarHBondContact NZ-OG1 2.88Š|
| 45 | E | 37.3 | Very low | 45.5 | Very low | 188 Ų | 188 | 130.8 Ų | 130.8 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | | | trans | -124.9 | 133.9 | 150.2 | -171.6 | 84.1 | 139.2 | 0 | 0 | 109.1 | | |
| 46 | T | 43.5 | Very low | 45.4 | Very low | 94 Ų | 94 | 124.7 Ų | 124.7 | 58% | 0.577 | 77% | 0.766 | S | S | * | * | | | trans | -89.9 | 139.7 | -164.1 | -50.3 | 0 | 0 | 0 | 0 | 109.2 | K44 | K44-T46 PolarHBondContact NZ-OG1 2.88Š|
| 47 | S | 52.3 | Low | 46.1 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | trans | 23.2 | 104 | 154.7 | -149.9 | 0 | 0 | 0 | 0 | 118.2 | | |
| 48 | A | 41.4 | Very low | 46.4 | Very low | 98 Ų | 98 | 124 Ų | 124 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | | | trans | -122.8 | 89.4 | 155.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q50 | A48-Q50 PolarHBondContact O-N 3.29Š|
| 49 | T | 50.3 | Low | 47 | Very low | 130 Ų | 130 | 126 Ų | 126 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | | | trans | -56.2 | 103.3 | 152.3 | -67.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 50 | Q | 45.4 | Very low | 47.5 | Very low | 171 Ų | 171 | 126.9 Ų | 126.9 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | | | trans | -164.5 | 132.8 | 150.3 | -116.5 | -177.2 | 60.6 | 0 | 0 | 114.3 | A48 | A48-Q50 PolarHBondContact O-N 3.29Š|
| 51 | R | 47.3 | Very low | 48.1 | Very low | 216 Ų | 216 | 125.2 Ų | 125.2 | 82% | 0.815 | 73% | 0.725 | S | S | * | * | | | trans | 69.5 | 84.2 | 163 | -76.1 | -176.1 | 169.3 | -168 | -1.9 | 117.5 | S53 | R51-S53 PolarHBondContact O-N 3.38Š|
| 52 | S | 49.3 | Very low | 49.1 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 83% | 0.825 | 71% | 0.709 | S | S | * | * | | | trans | -58.1 | 84.7 | 132.1 | 163.2 | 0 | 0 | 0 | 0 | 108.9 | V54 | S52-V54 PolarHBondContact O-N 3.25Š|
| 53 | S | 51.7 | Low | 49.9 | Very low | 95 Ų | 95 | 123.3 Ų | 123.3 | 66% | 0.664 | 70% | 0.695 | S | S | * | * | | | trans | -80.6 | 102.8 | 155 | 50 | 0 | 0 | 0 | 0 | 106.8 | R51 P55 | R51-S53 PolarHBondContact O-N 3.38Å; S53-P55 WeakPolarHBondContact O-CD 3.3Å; S53-P55 VanDerWaalsContact O-N 3.16Å |
| 54 | V | 56.3 | Low | 51.1 | Low | 113 Ų | 113 | 119 Ų | 119 | 69% | 0.685 | 68% | 0.677 | S | S | * | * | | | trans | -42.1 | 118.2 | 166 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | S52 S56 | S52-V54 PolarHBondContact O-N 3.25Å; V54-S56 PolarHBondContact O-N 2.94Å; V54-S56 VanDerWaalsContact O-N 3.11Å |
| 55 | P | 47.9 | Very low | 51.8 | Low | 113 Ų | 113 | 116.4 Ų | 116.4 | 73% | 0.734 | 67% | 0.667 | S | S | * | * | | | trans | -64.2 | 120.2 | 169 | 25.6 | -29.6 | 0 | 0 | 0 | 106.8 | S53 S57 | S53-P55 WeakPolarHBondContact O-CD 3.3Å; S53-P55 VanDerWaalsContact O-N 3.16Å; P55-S57 PolarHBondContact O-N 3.41Å |
| 56 | S | 48.3 | Very low | 53.1 | Low | 78 Ų | 78 | 113.9 Ų | 113.9 | 55% | 0.545 | 66% | 0.655 | S | S | . | * | | | trans | -46.2 | 126.1 | -179.6 | -177.9 | 0 | 0 | 0 | 0 | 111 | V54 T58 E59 | V54-S56 PolarHBondContact O-N 2.94Å; V54-S56 VanDerWaalsContact O-N 3.11Å; S56-T58 PolarHBondContact O-N 3.4Å; S56-T58 PolarHBondContact OG-OG1 2.82Å; S56-E59 PolarHBondContact O-N 3.31Å; S56-E59 VanDerWaalsContact O-N 3.17Å |
| 57 | S | 53.3 | Low | 54.3 | Low | 89 Ų | 89 | 111.9 Ų | 111.9 | 62% | 0.622 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | -9.1 | 178.3 | -169.6 | 0 | 0 | 0 | 0 | 114.4 | P55 N61 | P55-S57 PolarHBondContact O-N 3.41Å; S57-N61 PolarHBondContact O-ND2 3.38Å |
| 58 | T | 52.3 | Low | 55 | Low | 106 Ų | 106 | 113.3 Ų | 113.3 | 65% | 0.65 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.3 | -32.3 | 175.4 | -49.1 | 0 | 0 | 0 | 0 | 113.1 | S56 A62 | S56-T58 PolarHBondContact O-N 3.4Å; S56-T58 PolarHBondContact OG-OG1 2.82Å; T58-A62 PolarHBondContact O-N 3Å |
| 59 | E | 51.6 | Low | 56.4 | Low | 158 Ų | 158 | 114 Ų | 114 | 74% | 0.738 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -76.7 | -35.7 | -174.3 | -151.6 | 176.2 | 118.3 | 0 | 0 | 112.4 | S56 N61 A62 A63 | S56-E59 PolarHBondContact O-N 3.31Å; S56-E59 VanDerWaalsContact O-N 3.17Å; E59-N61 PolarHBondContact O-N 2.94Å; E59-A62 PolarHBondContact O-N 3.41Å; E59-A63 PolarHBondContact O-N 3.06Å |
| 60 | K | 53.7 | Low | 57.3 | Low | 151 Ų | 151 | 113.4 Ų | 113.4 | 66% | 0.657 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.2 | -36.3 | 178.1 | -173 | 177.4 | 173.7 | 177.8 | 0 | 112.6 | L64 | K60-L64 HydrophobicContact CG-CD1 4.29Å; K60-L64 WeakPolarHBondContact O-CB 3.32Å; K60-L64 VanDerWaalsContact O-CG 3.32Å; K60-L64 WeakPolarHBondContact O-CG 3.45Å; K60-L64 PolarHBondContact O-N 3.48Å |
| 61 | N | 56.9 | Low | 58.5 | Low | 89 Ų | 89 | 110.9 Ų | 110.9 | 48% | 0.476 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -70.4 | -37.3 | 177.5 | -74.6 | -66 | 0 | 0 | 0 | 111.9 | S57 E59 L64 H65 | S57-N61 PolarHBondContact O-ND2 3.38Å; E59-N61 PolarHBondContact O-N 2.94Å; N61-L64 PolarHBondContact O-N 3.49Å; N61-H65 PolarHBondContact O-N 3.43Å |
| 62 | A | 57.7 | Low | 59 | Low | 53 Ų | 53 | 110.5 Ų | 110.5 | 44% | 0.438 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.1 | -43.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T58 E59 H65 Q66 | T58-A62 PolarHBondContact O-N 3Å; E59-A62 PolarHBondContact O-N 3.41Å; A62-H65 PolarHBondContact O-N 3.4Å; A62-Q66 WeakPolarHBondContact O-CG 3.22Å; A62-Q66 PolarHBondContact O-N 2.96Å |
| 63 | A | 60.3 | Low | 59.4 | Low | 58 Ų | 58 | 109.4 Ų | 109.4 | 48% | 0.479 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64 | -40.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E59 Q66 A67 | E59-A63 PolarHBondContact O-N 3.06Å; A63-Q66 PolarHBondContact O-N 3.17Å; A63-A67 WeakPolarHBondContact O-CB 3.47Å; A63-A67 PolarHBondContact O-N 3.34Å |
| 64 | L | 63.7 | Low | 59.6 | Low | 96 Ų | 96 | 110.3 Ų | 110.3 | 50% | 0.503 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.5 | -40.5 | 176 | -75.5 | 171.8 | 0 | 0 | 0 | 112.4 | K60 N61 A67 Q68 | K60-L64 HydrophobicContact CG-CD1 4.29Å; K60-L64 WeakPolarHBondContact O-CB 3.32Å; K60-L64 VanDerWaalsContact O-CG 3.32Å; K60-L64 WeakPolarHBondContact O-CG 3.45Å; K60-L64 PolarHBondContact O-N 3.48Å; N61-L64 PolarHBondContact O-N 3.49Å; L64-A67 PolarHBondContact O-N 2.84Å; L64-Q68 VanDerWaalsContact O-CB 3.28Å; L64-Q68 WeakPolarHBondContact O-CB 3.44Å; L64-Q68 PolarHBondContact O-N 2.97Å |
| 65 | H | 67.3 | Low | 59.5 | Low | 124 Ų | 124 | 109.6 Ų | 109.6 | 57% | 0.574 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.7 | -41.2 | 174.3 | -86 | -165.8 | 0 | 0 | 0 | 112.3 | N61 A62 Q68 L69 | N61-H65 PolarHBondContact O-N 3.43Å; A62-H65 PolarHBondContact O-N 3.4Å; H65-Q68 PolarHBondContact O-N 2.99Å; H65-L69 WeakPolarHBondContact O-CB 3.35Å; H65-L69 VanDerWaalsContact O-CG 3.22Å; H65-L69 WeakPolarHBondContact O-CG 3.38Å; H65-L69 PolarHBondContact O-N 3.46Å |
| 66 | Q | 65.7 | Low | 59.7 | Low | 134 Ų | 134 | 107.4 Ų | 107.4 | 63% | 0.626 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.3 | -42.1 | 175.7 | -73.4 | -174.2 | -7.2 | 0 | 0 | 111.9 | A62 A63 L69 L70 | A62-Q66 WeakPolarHBondContact O-CG 3.22Å; A62-Q66 PolarHBondContact O-N 2.96Å; A63-Q66 PolarHBondContact O-N 3.17Å; Q66-L69 PolarHBondContact O-N 3.29Å; Q66-L70 WeakPolarHBondContact O-CB 3.36Å; Q66-L70 WeakPolarHBondContact O-CD1 3.42Å; Q66-L70 WeakPolarHBondContact O-CG 3.28Å; Q66-L70 PolarHBondContact O-N 3.19Å |
| 67 | A | 68.1 | Low | 59.8 | Low | 53 Ų | 53 | 109.4 Ų | 109.4 | 44% | 0.438 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.5 | -39.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A63 L64 L70 L71 | A63-A67 WeakPolarHBondContact O-CB 3.47Å; A63-A67 PolarHBondContact O-N 3.34Å; L64-A67 PolarHBondContact O-N 2.84Å; A67-L70 PolarHBondContact O-N 2.95Å; A67-L71 WeakPolarHBondContact O-CB 3.38Å; A67-L71 PolarHBondContact O-N 2.82Å |
| 68 | Q | 67.1 | Low | 59.7 | Low | 136 Ų | 136 | 111.9 Ų | 111.9 | 64% | 0.636 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.7 | -38.4 | 177.4 | -169.4 | 177.5 | -50.9 | 0 | 0 | 112 | L64 H65 L71 W72 | L64-Q68 VanDerWaalsContact O-CB 3.28Å; L64-Q68 WeakPolarHBondContact O-CB 3.44Å; L64-Q68 PolarHBondContact O-N 2.97Å; H65-Q68 PolarHBondContact O-N 2.99Å; Q68-L71 PolarHBondContact O-N 2.98Å; Q68-W72 WeakPolarHBondContact O-CB 3.32Å; Q68-W72 PolarHBondContact O-N 2.93Å |
| 69 | L | 70.5 | Confident | 59.4 | Low | 113 Ų | 113 | 113.4 Ų | 113.4 | 59% | 0.592 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68 | -41.6 | 174.2 | -70.9 | 167.7 | 0 | 0 | 0 | 111.6 | H65 Q66 L71 W72 C73 | H65-L69 WeakPolarHBondContact O-CB 3.35Å; H65-L69 VanDerWaalsContact O-CG 3.22Å; H65-L69 WeakPolarHBondContact O-CG 3.38Å; H65-L69 PolarHBondContact O-N 3.46Å; Q66-L69 PolarHBondContact O-N 3.29Å; L69-L71 VanDerWaalsContact C-N 3.33Å; L69-L71 PolarHBondContact O-N 3.27Å; L69-W72 PolarHBondContact O-N 2.67Å; L69-C73 VanDerWaalsContact O-CB 3.3Å; L69-C73 WeakPolarHBondContact O-CB 3.47Å; L69-C73 PolarHBondContact O-N 3.12Å; L69-C73 PolarHBondContact O-SG 2.93Å |
| 70 | L | 69.6 | Low | 59.3 | Low | 118 Ų | 118 | 109.7 Ų | 109.7 | 62% | 0.618 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -61.8 | -41.6 | 175 | -77.9 | 162.3 | 0 | 0 | 0 | 111.8 | Q66 A67 C73 T74 | Q66-L70 WeakPolarHBondContact O-CB 3.36Å; Q66-L70 WeakPolarHBondContact O-CD1 3.42Å; Q66-L70 WeakPolarHBondContact O-CG 3.28Å; Q66-L70 PolarHBondContact O-N 3.19Å; A67-L70 PolarHBondContact O-N 2.95Å; L70-C73 PolarHBondContact O-N 3.42Å; L70-T74 PolarHBondContact O-N 2.93Å; L70-T74 PolarHBondContact O-OG1 2.86Å |
| 71 | L | 69.3 | Low | 58.9 | Low | 117 Ų | 117 | 109.3 Ų | 109.3 | 61% | 0.613 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.3 | -39.2 | 176.6 | -172.5 | 62 | 0 | 0 | 0 | 112 | A67 Q68 L69 T74 T75 | A67-L71 WeakPolarHBondContact O-CB 3.38Å; A67-L71 PolarHBondContact O-N 2.82Å; Q68-L71 PolarHBondContact O-N 2.98Å; L69-L71 VanDerWaalsContact C-N 3.33Å; L69-L71 PolarHBondContact O-N 3.27Å; L71-T74 WeakPolarHBondContact CA-OG1 3.4Å; L71-T74 PolarHBondContact O-OG1 3.38Å; L71-T75 PolarHBondContact O-N 3.45Å; L71-T75 VanDerWaalsContact O-N 3.12Å; L71-T75 PolarHBondContact O-OG1 3.02Å |
| 72 | W | 59 | Low | 58.4 | Low | 208 Ų | 208 | 110.5 Ų | 110.5 | 79% | 0.788 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -66.8 | -40.8 | 173.8 | -174 | -93.4 | 0 | 0 | 0 | 112.2 | Q68 L69 T75 | Q68-W72 WeakPolarHBondContact O-CB 3.32Å; Q68-W72 PolarHBondContact O-N 2.93Å; L69-W72 PolarHBondContact O-N 2.67Å; W72-T75 CarbonylContact O-C 3.5Å; W72-T75 PolarHBondContact O-N 2.72Å |
| 73 | C | 57.3 | Low | 58.1 | Low | 95 Ų | 95 | 115.2 Ų | 115.2 | 64% | 0.642 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -69.4 | -30.3 | 177.6 | -75.8 | 0 | 0 | 0 | 0 | 113.3 | L69 L70 T75 | L69-C73 VanDerWaalsContact O-CB 3.3Å; L69-C73 WeakPolarHBondContact O-CB 3.47Å; L69-C73 PolarHBondContact O-N 3.12Å; L69-C73 PolarHBondContact O-SG 2.93Å; L70-C73 PolarHBondContact O-N 3.42Å; C73-T75 VanDerWaalsContact C-N 3.35Å |
| 74 | T | 54.9 | Low | 57.4 | Low | 115 Ų | 115 | 118 Ų | 118 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -81.1 | -17.4 | 173.8 | 36.8 | 0 | 0 | 0 | 0 | 112.9 | L70 L71 A76 | L70-T74 PolarHBondContact O-N 2.93Å; L70-T74 PolarHBondContact O-OG1 2.86Å; L71-T74 WeakPolarHBondContact CA-OG1 3.4Å; L71-T74 PolarHBondContact O-OG1 3.38Å; T74-A76 VanDerWaalsContact C-N 3.27Å; T74-A76 PolarHBondContact O-N 3.3Å |
| 75 | T | 55.9 | Low | 56.8 | Low | 97 Ų | 97 | 121.2 Ų | 121.2 | 60% | 0.595 | 68% | 0.683 | S | S | * | * | | | trans | -95.4 | 43.5 | 171.9 | -38.7 | 0 | 0 | 0 | 0 | 110.9 | L71 W72 C73 | L71-T75 PolarHBondContact O-N 3.45Å; L71-T75 VanDerWaalsContact O-N 3.12Å; L71-T75 PolarHBondContact O-OG1 3.02Å; W72-T75 CarbonylContact O-C 3.5Å; W72-T75 PolarHBondContact O-N 2.72Å; C73-T75 VanDerWaalsContact C-N 3.35Å |
| 76 | A | 52.3 | Low | 55.8 | Low | 67 Ų | 67 | 121 Ų | 121 | 55% | 0.554 | 69% | 0.693 | S | S | * | * | | | trans | -61.6 | 125.8 | 165 | 0 | 0 | 0 | 0 | 0 | 108 | T74 L78 | T74-A76 VanDerWaalsContact C-N 3.27Å; T74-A76 PolarHBondContact O-N 3.3Å; A76-L78 PolarHBondContact O-N 3.11Å |
| 77 | P | 50.4 | Low | 54.8 | Low | 121 Ų | 121 | 118.7 Ų | 118.7 | 79% | 0.786 | 70% | 0.697 | S | S | * | * | | | trans | -68.1 | 109.8 | 179.7 | 27.1 | -30.2 | 0 | 0 | 0 | 107.5 | | |
| 78 | L | 50.8 | Low | 54 | Low | 140 Ų | 140 | 127.3 Ų | 127.3 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | | | trans | -54 | 129.7 | 164.9 | -113.3 | 79.4 | 0 | 0 | 0 | 107.5 | A76 G80 | A76-L78 PolarHBondContact O-N 3.11Å; L78-G80 PolarHBondContact O-N 2.88Å |
| 79 | P | 44.8 | Very low | 52.6 | Low | 138 Ų | 138 | 125.7 Ų | 125.7 | 90% | 0.896 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 104.4 | 177.7 | -8.4 | 22.3 | 0 | 0 | 0 | 108.3 | | |
| 80 | G | 49.3 | Very low | 51.5 | Low | 81 Ų | 81 | 126.7 Ų | 126.7 | 84% | 0.835 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 131.6 | 5.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | L78 | L78-G80 PolarHBondContact O-N 2.88Š|
| 81 | L | 45.8 | Very low | 50.6 | Low | 142 Ų | 142 | 129.1 Ų | 129.1 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -109.6 | 136.6 | 173.9 | -132.1 | 125.5 | 0 | 0 | 0 | 111.1 | Q83 | L81-Q83 PolarHBondContact O-N 3.41Š|
| 82 | P | 47.4 | Very low | 49.6 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 74% | 0.74 | 75% | 0.748 | S | S | * | * | | | trans | -62.9 | 126.8 | -178 | 24.6 | -31.9 | 0 | 0 | 0 | 110.2 | | |
| 83 | Q | 50.9 | Low | 49.1 | Very low | 152 Ų | 152 | 127.6 Ų | 127.6 | 71% | 0.71 | 75% | 0.752 | S | S | * | * | | | trans | -59.4 | 134.3 | 177.8 | -162.7 | -132.7 | -5.3 | 0 | 0 | 110 | L81 Q85 | L81-Q83 PolarHBondContact O-N 3.41Å; Q83-Q85 PolarHBondContact O-N 3.18Å |
| 84 | P | 46 | Very low | 48.6 | Very low | 116 Ų | 116 | 133 Ų | 133 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | | | trans | -66.1 | 107.7 | 170.8 | -14.1 | 27.4 | 0 | 0 | 0 | 108.6 | P86 | P84-P86 WeakPolarHBondContact O-CD 3.46Š|
| 85 | Q | 50.9 | Low | 48.2 | Very low | 165 Ų | 165 | 132.8 Ų | 132.8 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | | | trans | -67.6 | 125.4 | 169.2 | -68.4 | -177.7 | -10.3 | 0 | 0 | 107.7 | Q83 A87 | Q83-Q85 PolarHBondContact O-N 3.18Å; Q85-A87 PolarHBondContact O-N 3.44Å |
| 86 | P | 46.5 | Very low | 47.9 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | | | trans | -64.3 | 97.7 | 160.4 | 25.2 | -28 | 0 | 0 | 0 | 105.8 | P84 R88 | P84-P86 WeakPolarHBondContact O-CD 3.46Å; P86-R88 PolarHBondContact O-N 3.32Å; P86-R88 VanDerWaalsContact O-N 3.13Å |
| 87 | A | 43.8 | Very low | 48 | Very low | 86 Ų | 86 | 135.1 Ų | 135.1 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | | | trans | -49.5 | 124.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | Q85 A89 | Q85-A87 PolarHBondContact O-N 3.44Å; A87-A89 PolarHBondContact O-N 2.79Å |
| 88 | R | 50.9 | Low | 47.9 | Very low | 234 Ų | 234 | 135 Ų | 135 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | | | trans | -48.7 | 89.2 | 167 | -69.9 | 171.9 | 169.1 | 144.3 | -4.9 | 108.9 | P86 L90 | P86-R88 PolarHBondContact O-N 3.32Å; P86-R88 VanDerWaalsContact O-N 3.13Å; R88-L90 PolarHBondContact O-N 2.81Å |
| 89 | A | 37.7 | Very low | 48.1 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | | | trans | -74.9 | 79.1 | 154.3 | 0 | 0 | 0 | 0 | 0 | 106 | A87 H91 | A87-A89 PolarHBondContact O-N 2.79Å; A89-H91 PolarHBondContact O-N 3.02Å |
| 90 | L | 48.8 | Very low | 48.7 | Very low | 133 Ų | 133 | 137.1 Ų | 137.1 | 70% | 0.696 | 78% | 0.781 | S | S | * | * | | | trans | -52.8 | 124.5 | 161.4 | -95 | -174.7 | 0 | 0 | 0 | 109 | R88 | R88-L90 PolarHBondContact O-N 2.81Š|
| 91 | H | 49.3 | Very low | 48.7 | Very low | 170 Ų | 170 | 140.4 Ų | 140.4 | 79% | 0.787 | 78% | 0.779 | S | S | * | * | | | trans | 129.6 | 132.2 | 141.9 | -70 | -162.6 | 0 | 0 | 0 | 114.4 | A89 | A89-H91 PolarHBondContact O-N 3.02Š|
| 92 | S | 49.1 | Very low | 49.1 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 87.8 | 65.4 | 160.5 | -166.2 | 0 | 0 | 0 | 0 | 118 | | |
| 93 | Q | 49.1 | Very low | 49.4 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | | | | -174.2 | 88.1 | 117.5 | -111.1 | 175 | -78.1 | 0 | 0 | 110.4 | | |
| 94 | F | 46.5 | Very low | 49.6 | Very low | 209 Ų | 209 | 139 Ų | 139 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | | | trans | -102.9 | 140.7 | 149.8 | -83.2 | -82 | 0 | 0 | 0 | 107 | | |
| 95 | P | 45.5 | Very low | 49.7 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | | | | -130.7 | 115.1 | 122.1 | 27.9 | -13.1 | 0 | 0 | 0 | 112.1 | T97 | P95-T97 PolarHBondContact O-N 3.13Å; P95-T97 PolarHBondContact O-OG1 2.74Å |
| 96 | A | 49.9 | Very low | 49.5 | Very low | 96 Ų | 96 | 138.6 Ų | 138.6 | 79% | 0.793 | 78% | 0.784 | S | S | * | * | | | trans | -0.1 | 87.5 | 141.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 97 | T | 55 | Low | 50.1 | Low | 117 Ų | 117 | 137.9 Ų | 137.9 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | | | trans | -148.6 | 8.8 | 161.4 | -13.1 | 0 | 0 | 0 | 0 | 118.9 | P95 | P95-T97 PolarHBondContact O-N 3.13Å; P95-T97 PolarHBondContact O-OG1 2.74Å |
| 98 | T | 48.1 | Very low | 50.3 | Low | 118 Ų | 118 | 140.9 Ų | 140.9 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | | | trans | -147.7 | 52.6 | 172.4 | -37.9 | 0 | 0 | 0 | 0 | 114 | I100 | T98-I100 PolarHBondContact O-N 3.04Š|
| 99 | L | 54.3 | Low | 50.3 | Low | 179 Ų | 179 | 134.2 Ų | 134.2 | 94% | 0.937 | 79% | 0.785 | S | S | * | * | | | trans | -83.6 | 38.4 | 152 | -72.1 | 176.9 | 0 | 0 | 0 | 111.1 | | |
| 100 | I | 58.7 | Low | 50.7 | Low | 144 Ų | 144 | 134.6 Ų | 134.6 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -116.3 | -14.2 | -177.6 | -62.7 | -173.8 | 0 | 0 | 0 | 113.2 | T98 | T98-I100 PolarHBondContact O-N 3.04Š|
| 101 | L | 48 | Very low | 51 | Low | 150 Ų | 150 | 139.7 Ų | 139.7 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -122.6 | 42.1 | -176.5 | -125.6 | 87.2 | 0 | 0 | 0 | 114.7 | | |
| 102 | L | 54.9 | Low | 50.9 | Low | 156 Ų | 156 | 139.8 Ų | 139.8 | 82% | 0.817 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 123.4 | 154.7 | -110.2 | 81.5 | 0 | 0 | 0 | 109.1 | | |
| 103 | P | 52.7 | Low | 50.9 | Low | 109 Ų | 109 | 142.3 Ų | 142.3 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 137.1 | 134.3 | 28.4 | -26.5 | 0 | 0 | 0 | 109.6 | | |
| 104 | P | 56.7 | Low | 50.9 | Low | 115 Ų | 115 | 138.2 Ų | 138.2 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 129.8 | -176.9 | 29.5 | -33 | 0 | 0 | 0 | 111.2 | | |
| 105 | L | 47.8 | Very low | 51.2 | Low | 171 Ų | 171 | 135.7 Ų | 135.7 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 125.7 | 169.2 | -142.3 | 74.8 | 0 | 0 | 0 | 108.2 | A107 | L105-A107 PolarHBondContact O-N 2.91Å; L105-A107 VanDerWaalsContact O-N 3.16Å |
| 106 | P | 47.2 | Very low | 51.5 | Low | 101 Ų | 101 | 134.5 Ų | 134.5 | 66% | 0.656 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 119 | -172.2 | 26.5 | -33.2 | 0 | 0 | 0 | 110.3 | I108 | P106-I108 HydrophobicContact CB-CD1 4.37Å; P106-I108 HydrophobicContact CB-CG1 4.19Å; P106-I108 PolarHBondContact O-N 3.06Å |
| 107 | A | 57.6 | Low | 51.7 | Low | 104 Ų | 104 | 137.3 Ų | 137.3 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | -61.9 | 98.5 | 161 | 0 | 0 | 0 | 0 | 0 | 108.6 | L105 | L105-A107 PolarHBondContact O-N 2.91Å; L105-A107 VanDerWaalsContact O-N 3.16Å |
| 108 | I | 48.7 | Very low | 51.7 | Low | 149 Ų | 149 | 137.5 Ų | 137.5 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | | | trans | -117.6 | 80.1 | 166.3 | -53.1 | 176.3 | 0 | 0 | 0 | 107.9 | P106 | P106-I108 HydrophobicContact CB-CD1 4.37Å; P106-I108 HydrophobicContact CB-CG1 4.19Å; P106-I108 PolarHBondContact O-N 3.06Å |
| 109 | A | 49.9 | Very low | 51.8 | Low | 94 Ų | 94 | 140.1 Ų | 140.1 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | | | trans | -120.3 | 115.7 | 138.6 | 0 | 0 | 0 | 0 | 0 | 105.2 | | |
| 110 | P | 47 | Very low | 51.7 | Low | 109 Ų | 109 | 136 Ų | 136 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | | | | -144.8 | 137.3 | 105.5 | 32.4 | -14.6 | 0 | 0 | 0 | 114.7 | | |
| 111 | R | 54.6 | Low | 51.5 | Low | 240 Ų | 240 | 139.9 Ų | 139.9 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | | | trans | 35.5 | 105 | 138.7 | -71.8 | -172.8 | 156.7 | -152.7 | -3.8 | 118.7 | | |
| 112 | L | 48.1 | Very low | 51.5 | Low | 172 Ų | 172 | 136.8 Ų | 136.8 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | | | trans | -141.9 | 99.4 | 141.7 | -90.5 | 170.9 | 0 | 0 | 0 | 109.9 | | |
| 113 | M | 48.3 | Very low | 51.3 | Low | 164 Ų | 164 | 137.9 Ų | 137.9 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | | | trans | 46 | 145.8 | 151.3 | -68.4 | -119.1 | 90.6 | 0 | 0 | 122.1 | V115 | M113-V115 PolarHBondContact O-N 3.25Š|
| 114 | P | 49.1 | Very low | 51.1 | Low | 96 Ų | 96 | 141.2 Ų | 141.2 | 62% | 0.623 | 79% | 0.791 | S | S | * | * | | | trans | -71.7 | 120 | -177.9 | 30.7 | -30.8 | 0 | 0 | 0 | 110.5 | A116 | P114-A116 HydrophobicContact CB-CB 4.23Å; P114-A116 PolarHBondContact O-N 2.95Å |
| 115 | V | 52.6 | Low | 51 | Low | 157 Ų | 157 | 146.6 Ų | 146.6 | 95% | 0.952 | 80% | 0.796 | S | S | * | * | | | trans | -73.5 | 64.5 | 159.9 | -175.5 | 0 | 0 | 0 | 0 | 107.8 | M113 | M113-V115 PolarHBondContact O-N 3.25Š|
| 116 | A | 51.5 | Low | 51.2 | Low | 83 Ų | 83 | 145.8 Ų | 145.8 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | | | trans | -137.4 | 45.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | P114 | P114-A116 HydrophobicContact CB-CB 4.23Å; P114-A116 PolarHBondContact O-N 2.95Å |
| 117 | L | 55.8 | Low | 51.1 | Low | 156 Ų | 156 | 148.8 Ų | 148.8 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | | | trans | -152.1 | 99.5 | 160.8 | -161.2 | 80.9 | 0 | 0 | 0 | 107.1 | | |
| 118 | T | 53.7 | Low | 50.7 | Low | 120 Ų | 120 | 149.3 Ų | 149.3 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 168.3 | 52.6 | 142.3 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 119 | I | 51.4 | Low | 50.9 | Low | 174 Ų | 174 | 153.8 Ų | 153.8 | 89% | 0.892 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -134.4 | 41.8 | 154.2 | -43.9 | -179.6 | 0 | 0 | 0 | 109.4 | | |
| 120 | A | 52.2 | Low | 50.7 | Low | 93 Ų | 93 | 153.4 Ų | 153.4 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -136.1 | 4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 121 | R | 53 | Low | 50.7 | Low | 224 Ų | 224 | 152.9 Ų | 152.9 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -121 | -2.7 | 179 | -101.5 | -175.1 | 175.8 | -176.4 | -0.2 | 115.6 | | |
| 122 | S | 48.9 | Very low | 50.5 | Low | 86 Ų | 86 | 149.6 Ų | 149.6 | 60% | 0.601 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -87.3 | -17.5 | 179.7 | -163.8 | 0 | 0 | 0 | 0 | 114 | | |
| 123 | Q | 51.3 | Low | 50.5 | Low | 179 Ų | 179 | 152.2 Ų | 152.2 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -100.5 | 1 | -176.4 | -61.1 | -62.1 | -15.2 | 0 | 0 | 114.5 | | |
| 124 | H | 47.2 | Very low | 50.3 | Low | 179 Ų | 179 | 152.6 Ų | 152.6 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -112.1 | 8.7 | -179.7 | -134.1 | -70.3 | 0 | 0 | 0 | 114.2 | | |
| 125 | R | 54.3 | Low | 50.2 | Low | 228 Ų | 228 | 161.8 Ų | 161.8 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -126.4 | 23.8 | -176.4 | -138.8 | -177.9 | -168.8 | -131.3 | 3 | 114.4 | | |
| 126 | L | 52 | Low | 50.1 | Low | 154 Ų | 154 | 162.1 Ų | 162.1 | 81% | 0.806 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -128.6 | 35.1 | 170.6 | -73.9 | 172.4 | 0 | 0 | 0 | 112.1 | | |
| 127 | L | 45.4 | Very low | 50 | Low | 163 Ų | 163 | 166.2 Ų | 166.2 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -115.4 | 110.9 | 154.8 | -127.4 | 96 | 0 | 0 | 0 | 108.3 | R129 | L127-R129 PolarHBondContact O-N 3.43Š|
| 128 | P | 50.4 | Low | 49.7 | Very low | 116 Ų | 116 | 166.8 Ų | 166.8 | 75% | 0.753 | 83% | 0.83 | S | S | * | * | | | trans | -66.9 | 117.6 | 169.8 | 25.6 | -29.2 | 0 | 0 | 0 | 108.9 | A130 | P128-A130 PolarHBondContact O-N 3.45Š|
| 129 | R | 52.8 | Low | 49.5 | Very low | 243 Ų | 243 | 169.5 Ų | 169.5 | 92% | 0.917 | 84% | 0.835 | S | S | * | * | | | trans | -61 | 96.9 | 162.1 | -171.3 | -178.1 | -174.5 | 161.9 | 0.8 | 107.6 | L127 | L127-R129 PolarHBondContact O-N 3.43Š|
| 130 | A | 45.8 | Very low | 49.3 | Very low | 86 Ų | 86 | 169.3 Ų | 169.3 | 71% | 0.711 | 83% | 0.832 | S | S | * | * | | | trans | -124.1 | 121.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | P128 | P128-A130 PolarHBondContact O-N 3.45Š|
| 131 | A | 46.8 | Very low | 49.2 | Very low | 98 Ų | 98 | 174.3 Ų | 174.3 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | | | trans | 73.4 | 81.4 | 163.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 132 | E | 49.6 | Very low | 48.9 | Very low | 171 Ų | 171 | 170.8 Ų | 170.8 | 80% | 0.799 | 84% | 0.836 | S | S | * | * | | | | -55.1 | 123.1 | 124.3 | -89.1 | 173.8 | 125.1 | 0 | 0 | 108.8 | | |
| 133 | R | 48.4 | Very low | 48.9 | Very low | 227 Ų | 227 | 177.3 Ų | 177.3 | 86% | 0.857 | 85% | 0.854 | S | S | * | * | | | trans | -179.7 | 141.7 | 137.3 | -98.4 | 178.7 | -146.9 | -175.5 | 6.6 | 108.1 | | |
| 134 | H | 44.6 | Very low | 48.7 | Very low | 172 Ų | 172 | 177.2 Ų | 177.2 | 80% | 0.796 | 86% | 0.855 | S | S | * | * | | | trans | 94.8 | 85.4 | -178.3 | -58.8 | -76.9 | 0 | 0 | 0 | 114.4 | | |
| 135 | F | 46.8 | Very low | 48.8 | Very low | 289 Ų | 289 | 177 Ų | 177 | 100% | 1.268 | 86% | 0.857 | S | S | * | * | | | | -146.4 | 0 | 108.2 | -86.9 | -75.3 | 0 | 0 | 0 | 108.9 | | |