| 1 | M | 44.8 | Very low | 53.3 | Low | 232 Ų | 232 | 138.6 Ų | 138.6 | 100% | 1.143 | 81% | 0.805 | S | S | * | * | | | | 0 | 107.5 | 0 | -68.6 | -56.9 | 179.9 | 0 | 0 | 108.2 | | |
| 2 | P | 51.8 | Low | 53 | Low | 127 Ų | 127 | 137.7 Ų | 137.7 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 129.5 | 175.5 | 28.7 | -32.5 | 0 | 0 | 0 | 109.8 | L4 | P2-L4 PolarHBondContact O-N 3.34Š|
| 3 | S | 54.9 | Low | 52.7 | Low | 116 Ų | 116 | 138.2 Ų | 138.2 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 123.9 | 175.8 | 50.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 4 | L | 51.9 | Low | 52.7 | Low | 157 Ų | 157 | 136.5 Ų | 136.5 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 132.1 | 172.6 | -111.5 | 76.4 | 0 | 0 | 0 | 109.8 | P2 T6 | P2-L4 PolarHBondContact O-N 3.34Å; L4-T6 PolarHBondContact O-N 3.45Å; L4-T6 VanDerWaalsContact O-N 3.15Å |
| 5 | P | 61 | Low | 52.9 | Low | 113 Ų | 113 | 140.3 Ų | 140.3 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | -69.5 | 112.5 | 175.5 | 27.6 | -32.7 | 0 | 0 | 0 | 109.8 | M7 | P5-M7 PolarHBondContact O-N 2.89Š|
| 6 | T | 63.2 | Low | 53 | Low | 141 Ų | 141 | 136.6 Ų | 136.6 | 87% | 0.865 | 76% | 0.76 | S | S | * | * | | | trans | -65.6 | 94.9 | 173 | -20.1 | 0 | 0 | 0 | 0 | 108.9 | L4 N8 | L4-T6 PolarHBondContact O-N 3.45Å; L4-T6 VanDerWaalsContact O-N 3.15Å; T6-N8 PolarHBondContact O-N 2.82Å |
| 7 | M | 51 | Low | 54.1 | Low | 166 Ų | 166 | 140.4 Ų | 140.4 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | trans | -64.7 | 106.1 | 179 | -69.3 | -129.6 | 72.4 | 0 | 0 | 109.6 | P5 L9 | P5-M7 PolarHBondContact O-N 2.89Å; M7-L9 PolarHBondContact O-N 2.85Å |
| 8 | N | 51.3 | Low | 55.2 | Low | 124 Ų | 124 | 138.6 Ų | 138.6 | 66% | 0.663 | 76% | 0.757 | S | S | * | * | | | trans | -78.6 | 83.7 | -169.9 | -155 | -25.8 | 0 | 0 | 0 | 110.5 | T6 C10 S11 | T6-N8 PolarHBondContact O-N 2.82Å; N8-C10 PolarHBondContact O-N 2.75Å; N8-S11 PolarHBondContact O-N 2.94Å |
| 9 | L | 55.5 | Low | 56.2 | Low | 137 Ų | 137 | 134.5 Ų | 134.5 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -55.8 | -17.6 | -177.4 | -82.8 | 153.8 | 0 | 0 | 0 | 114.1 | M7 S11 L12 | M7-L9 PolarHBondContact O-N 2.85Å; L9-S11 PolarHBondContact O-N 3.08Å; L9-L12 WeakPolarHBondContact O-CB 3.38Å; L9-L12 PolarHBondContact O-N 3.38Å |
| 10 | C | 50.7 | Low | 57.1 | Low | 103 Ų | 103 | 131.2 Ų | 131.2 | 70% | 0.696 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -58.1 | -29 | 175.2 | -87.7 | 0 | 0 | 0 | 0 | 114.1 | N8 L12 M13 | N8-C10 PolarHBondContact O-N 2.75Å; C10-L12 VanDerWaalsContact C-N 3.27Å; C10-L12 PolarHBondContact O-N 3.35Å; C10-M13 PolarHBondContact O-N 3.15Å |
| 11 | S | 50 | Low | 57.9 | Low | 109 Ų | 109 | 126.6 Ų | 126.6 | 76% | 0.762 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -78.1 | -6.8 | 176.9 | -68.4 | 0 | 0 | 0 | 0 | 114.3 | N8 L9 M13 | N8-S11 PolarHBondContact O-N 2.94Å; L9-S11 PolarHBondContact O-N 3.08Å; S11-M13 VanDerWaalsContact C-N 3.27Å |
| 12 | L | 49.8 | Very low | 59.6 | Low | 127 Ų | 127 | 120.8 Ų | 120.8 | 67% | 0.665 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -83.2 | -4.5 | 174.1 | -149 | 74.6 | 0 | 0 | 0 | 112.7 | L9 C10 L14 | L9-L12 WeakPolarHBondContact O-CB 3.38Å; L9-L12 PolarHBondContact O-N 3.38Å; C10-L12 VanDerWaalsContact C-N 3.27Å; C10-L12 PolarHBondContact O-N 3.35Å; L12-L14 VanDerWaalsContact C-N 3.25Å; L12-L14 PolarHBondContact O-N 3.46Å |
| 13 | M | 50 | Low | 60.8 | Low | 145 Ų | 145 | 120.2 Ų | 120.2 | 71% | 0.714 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -73.4 | 80 | 171.7 | -78.4 | -75.4 | 102.2 | 0 | 0 | 111.4 | C10 S11 | C10-M13 PolarHBondContact O-N 3.15Å; S11-M13 VanDerWaalsContact C-N 3.27Å |
| 14 | L | 52.1 | Low | 61.8 | Low | 114 Ų | 114 | 118.4 Ų | 118.4 | 60% | 0.597 | 65% | 0.645 | S | S | * | * | | | trans | 51 | 71.5 | 155.8 | -69.5 | 78.9 | 0 | 0 | 0 | 115 | L12 L16 | L12-L14 VanDerWaalsContact C-N 3.25Å; L12-L14 PolarHBondContact O-N 3.46Å; L14-L16 HydrophobicContact CB-CB 4.4Å; L14-L16 HydrophobicContact CD2-CD2 4.49Å; L14-L16 HydrophobicContact CG-CD1 4.26Å; L14-L16 PolarHBondContact O-N 3.12Å |
| 15 | Q | 55.5 | Low | 63.1 | Low | 193 Ų | 193 | 115.9 Ų | 115.9 | 90% | 0.902 | 63% | 0.632 | S | S | * | * | | | trans | -73.9 | 37 | 147.5 | -147.5 | 178.8 | 48.1 | 0 | 0 | 111.3 | R17 | Q15-R17 PolarHBondContact O-N 3.25Å; Q15-R17 VanDerWaalsContact O-N 3.09Å |
| 16 | L | 55.3 | Low | 64.2 | Low | 82 Ų | 82 | 113.5 Ų | 113.5 | 43% | 0.429 | 62% | 0.617 | S | S | . | * | | | trans | -58.9 | 115.6 | 168.7 | -114.2 | 73.5 | 0 | 0 | 0 | 106.4 | L14 V20 | L14-L16 HydrophobicContact CB-CB 4.4Å; L14-L16 HydrophobicContact CD2-CD2 4.49Å; L14-L16 HydrophobicContact CG-CD1 4.26Å; L14-L16 PolarHBondContact O-N 3.12Å; L16-V20 HydrophobicContact CD2-CB 4.37Å; L16-V20 HydrophobicContact CD2-CG1 3.95Å; L16-V20 HydrophobicContact CG-CB 4.36Å; L16-V20 HydrophobicContact CG-CG1 4.21Å |
| 17 | R | 71.8 | Confident | 65.1 | Low | 200 Ų | 200 | 111.3 Ų | 111.3 | 76% | 0.755 | 60% | 0.599 | S | S | * | * | | | trans | -52 | 134.2 | 175.6 | -73.6 | -175.4 | 169.4 | -170.5 | -3.6 | 108.2 | Q15 S19 V20 | Q15-R17 PolarHBondContact O-N 3.25Å; Q15-R17 VanDerWaalsContact O-N 3.09Å; R17-S19 PolarHBondContact O-N 3.35Å; R17-V20 HydrophobicContact CB-CG2 4.4Å; R17-V20 WeakPolarHBondContact O-CB 3.3Å; R17-V20 PolarHBondContact O-N 3.01Å |
| 18 | P | 72.9 | Confident | 66.5 | Low | 108 Ų | 108 | 106.3 Ų | 106.3 | 70% | 0.701 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -50.2 | -33.5 | -175.6 | -31.6 | 35.7 | 0 | 0 | 0 | 114.2 | V20 G21 I22 | P18-V20 PolarHBondContact O-N 3.45Å; P18-G21 PolarHBondContact O-N 3.23Å; P18-I22 WeakPolarHBondContact O-CG1 3.49Å; P18-I22 PolarHBondContact O-N 3.27Å |
| 19 | S | 74.2 | Confident | 68 | Low | 62 Ų | 62 | 105.6 Ų | 105.6 | 43% | 0.434 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -51.5 | -44.1 | 170.2 | 156.1 | 0 | 0 | 0 | 0 | 114 | R17 G21 I22 H23 | R17-S19 PolarHBondContact O-N 3.35Å; S19-G21 PolarHBondContact O-N 2.94Å; S19-I22 PolarHBondContact O-N 3.44Å; S19-H23 PolarHBondContact O-CD2 2.98Å; S19-H23 PolarHBondContact O-N 2.78Å; S19-H23 PolarHBondContact OG-CD2 3.43Å; S19-H23 PolarHBondContact OG-NE2 3.35Å |
| 20 | V | 73.9 | Confident | 69.6 | Low | 67 Ų | 67 | 104.1 Ų | 104.1 | 41% | 0.406 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.5 | -40.4 | -179.9 | -177.1 | 0 | 0 | 0 | 0 | 110.9 | L16 R17 P18 H23 L24 | L16-V20 HydrophobicContact CD2-CB 4.37Å; L16-V20 HydrophobicContact CD2-CG1 3.95Å; L16-V20 HydrophobicContact CG-CB 4.36Å; L16-V20 HydrophobicContact CG-CG1 4.21Å; R17-V20 HydrophobicContact CB-CG2 4.4Å; R17-V20 WeakPolarHBondContact O-CB 3.3Å; R17-V20 PolarHBondContact O-N 3.01Å; P18-V20 PolarHBondContact O-N 3.45Å; V20-H23 PolarHBondContact O-N 3.44Å; V20-L24 WeakPolarHBondContact O-CB 3.46Å; V20-L24 PolarHBondContact O-N 3.37Å |
| 21 | G | 74.9 | Confident | 71.1 | Confident | 35 Ų | 35 | 103.4 Ų | 103.4 | 36% | 0.361 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.4 | -41.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P18 S19 L24 L25 | P18-G21 PolarHBondContact O-N 3.23Å; S19-G21 PolarHBondContact O-N 2.94Å; G21-L24 PolarHBondContact O-N 2.79Å; G21-L25 WeakPolarHBondContact O-CB 3.2Å; G21-L25 PolarHBondContact O-N 3.36Å |
| 22 | I | 79.2 | Confident | 72.7 | Confident | 110 Ų | 110 | 101.7 Ų | 101.7 | 56% | 0.564 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.2 | -42.8 | 175.8 | -67 | 161.7 | 0 | 0 | 0 | 111.3 | P18 S19 L25 C26 | P18-I22 WeakPolarHBondContact O-CG1 3.49Å; P18-I22 PolarHBondContact O-N 3.27Å; S19-I22 PolarHBondContact O-N 3.44Å; I22-L25 PolarHBondContact O-N 2.88Å; I22-C26 VanDerWaalsContact O-CB 3.31Å; I22-C26 WeakPolarHBondContact O-CB 3.47Å; I22-C26 PolarHBondContact O-N 2.93Å |
| 23 | H | 76.8 | Confident | 74.5 | Confident | 116 Ų | 116 | 98.9 Ų | 98.9 | 54% | 0.537 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 176.4 | -69.4 | -58.8 | 0 | 0 | 0 | 112.1 | S19 V20 C26 I27 | S19-H23 PolarHBondContact O-CD2 2.98Å; S19-H23 PolarHBondContact O-N 2.78Å; S19-H23 PolarHBondContact OG-CD2 3.43Å; S19-H23 PolarHBondContact OG-NE2 3.35Å; V20-H23 PolarHBondContact O-N 3.44Å; H23-C26 PolarHBondContact O-N 2.87Å; H23-I27 VanDerWaalsContact O-CG1 3.3Å; H23-I27 WeakPolarHBondContact O-CG1 3.16Å; H23-I27 PolarHBondContact O-N 3.46Å |
| 24 | L | 77.6 | Confident | 76.4 | Confident | 78 Ų | 78 | 97.4 Ų | 97.4 | 41% | 0.408 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 176.3 | -161.2 | 77.3 | 0 | 0 | 0 | 111.6 | V20 G21 C26 I27 L28 | V20-L24 WeakPolarHBondContact O-CB 3.46Å; V20-L24 PolarHBondContact O-N 3.37Å; G21-L24 PolarHBondContact O-N 2.79Å; L24-C26 VanDerWaalsContact C-N 3.35Å; L24-I27 PolarHBondContact O-N 2.89Å; L24-L28 HydrophobicContact CG-CD1 4.47Å; L24-L28 WeakPolarHBondContact O-CB 3.3Å; L24-L28 PolarHBondContact O-N 2.91Å |
| 25 | L | 78 | Confident | 78 | Confident | 103 Ų | 103 | 98.3 Ų | 98.3 | 54% | 0.539 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 174.5 | -176.4 | 65.9 | 0 | 0 | 0 | 111.8 | G21 I22 L28 L29 | G21-L25 WeakPolarHBondContact O-CB 3.2Å; G21-L25 PolarHBondContact O-N 3.36Å; I22-L25 PolarHBondContact O-N 2.88Å; L25-L28 WeakPolarHBondContact O-CB 3.34Å; L25-L28 PolarHBondContact O-N 3.4Å; L25-L29 HydrophobicContact CG-CD1 4.29Å; L25-L29 WeakPolarHBondContact O-CG 3.46Å; L25-L29 PolarHBondContact O-N 2.71Å |
| 26 | C | 84.4 | Confident | 79.6 | Confident | 64 Ų | 64 | 94.8 Ų | 94.8 | 43% | 0.432 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 177.4 | -164.2 | 0 | 0 | 0 | 0 | 111.8 | I22 H23 L24 L29 L30 | I22-C26 VanDerWaalsContact O-CB 3.31Å; I22-C26 WeakPolarHBondContact O-CB 3.47Å; I22-C26 PolarHBondContact O-N 2.93Å; H23-C26 PolarHBondContact O-N 2.87Å; L24-C26 VanDerWaalsContact C-N 3.35Å; C26-L29 PolarHBondContact O-N 3.46Å; C26-L30 WeakPolarHBondContact O-CG 3.23Å; C26-L30 PolarHBondContact O-N 3.35Å |
| 27 | I | 82.6 | Confident | 81.1 | Confident | 94 Ų | 94 | 95.4 Ų | 95.4 | 48% | 0.482 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 173.7 | -68.6 | 163.3 | 0 | 0 | 0 | 110.8 | H23 L24 L30 L31 | H23-I27 VanDerWaalsContact O-CG1 3.3Å; H23-I27 WeakPolarHBondContact O-CG1 3.16Å; H23-I27 PolarHBondContact O-N 3.46Å; L24-I27 PolarHBondContact O-N 2.89Å; I27-L30 PolarHBondContact O-N 2.84Å; I27-L31 HydrophobicContact CG2-CD1 3.89Å; I27-L31 WeakPolarHBondContact O-CB 3.28Å; I27-L31 WeakPolarHBondContact O-CG 3.27Å; I27-L31 PolarHBondContact O-N 3.49Å |
| 28 | L | 81.1 | Confident | 81.5 | Confident | 62 Ų | 62 | 88.8 Ų | 88.8 | 33% | 0.325 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.9 | -45 | 174.6 | -83.7 | 158.4 | 0 | 0 | 0 | 112.1 | L24 L25 L31 S32 L303 | L24-L28 HydrophobicContact CG-CD1 4.47Å; L24-L28 WeakPolarHBondContact O-CB 3.3Å; L24-L28 PolarHBondContact O-N 2.91Å; L25-L28 WeakPolarHBondContact O-CB 3.34Å; L25-L28 PolarHBondContact O-N 3.4Å; L28-L31 PolarHBondContact O-N 3.22Å; L28-S32 WeakPolarHBondContact O-CB 3.48Å; L28-S32 PolarHBondContact O-N 3.42Å; L28-S32 PolarHBondContact O-OG 2.75Å; L28-L303 HydrophobicContact CD2-CD1 3.68Å |
| 29 | L | 82 | Confident | 82.1 | Confident | 109 Ų | 109 | 88.4 Ų | 88.4 | 57% | 0.571 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.7 | -40.5 | 176.5 | -72.9 | 168.9 | 0 | 0 | 0 | 112.5 | L25 C26 S32 S33 | L25-L29 HydrophobicContact CG-CD1 4.29Å; L25-L29 WeakPolarHBondContact O-CG 3.46Å; L25-L29 PolarHBondContact O-N 2.71Å; C26-L29 PolarHBondContact O-N 3.46Å; L29-S32 PolarHBondContact O-N 2.91Å; L29-S33 WeakPolarHBondContact O-CB 3.31Å; L29-S33 PolarHBondContact O-N 2.89Å |
| 30 | L | 89 | Confident | 82.5 | Confident | 105 Ų | 105 | 88.5 Ų | 88.5 | 55% | 0.55 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 175 | -72.9 | 169.8 | 0 | 0 | 0 | 111.6 | C26 I27 S32 S33 I34 | C26-L30 WeakPolarHBondContact O-CG 3.23Å; C26-L30 PolarHBondContact O-N 3.35Å; I27-L30 PolarHBondContact O-N 2.84Å; L30-S32 PolarHBondContact O-N 3.44Å; L30-S33 PolarHBondContact O-N 3.46Å; L30-I34 WeakPolarHBondContact O-CD1 3.33Å; L30-I34 VanDerWaalsContact O-CG1 3.27Å; L30-I34 WeakPolarHBondContact O-CG1 3.5Å; L30-I34 PolarHBondContact O-N 2.8Å |
| 31 | L | 81.8 | Confident | 82.8 | Confident | 88 Ų | 88 | 88.4 Ų | 88.4 | 46% | 0.461 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60 | -43.8 | 174.4 | -76.6 | 165.3 | 0 | 0 | 0 | 111.7 | I27 L28 I34 Y35 | I27-L31 HydrophobicContact CG2-CD1 3.89Å; I27-L31 WeakPolarHBondContact O-CB 3.28Å; I27-L31 WeakPolarHBondContact O-CG 3.27Å; I27-L31 PolarHBondContact O-N 3.49Å; L28-L31 PolarHBondContact O-N 3.22Å; L31-I34 PolarHBondContact O-N 2.81Å; L31-Y35 WeakPolarHBondContact O-CB 3.21Å; L31-Y35 PolarHBondContact O-N 3.44Å |
| 32 | S | 83.6 | Confident | 82.9 | Confident | 73 Ų | 73 | 90.9 Ų | 90.9 | 51% | 0.51 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 175 | -61.2 | 0 | 0 | 0 | 0 | 112.4 | L28 L29 L30 Y35 L36 | L28-S32 WeakPolarHBondContact O-CB 3.48Å; L28-S32 PolarHBondContact O-N 3.42Å; L28-S32 PolarHBondContact O-OG 2.75Å; L29-S32 PolarHBondContact O-N 2.91Å; L30-S32 PolarHBondContact O-N 3.44Å; S32-Y35 PolarHBondContact O-N 2.83Å; S32-L36 WeakPolarHBondContact O-CB 3.3Å; S32-L36 PolarHBondContact O-N 2.83Å |
| 33 | S | 88.8 | Confident | 82.9 | Confident | 69 Ų | 69 | 93.6 Ų | 93.6 | 48% | 0.483 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 176.8 | -174.3 | 0 | 0 | 0 | 0 | 112.5 | L29 L30 L36 T37 | L29-S33 WeakPolarHBondContact O-CB 3.31Å; L29-S33 PolarHBondContact O-N 2.89Å; L30-S33 PolarHBondContact O-N 3.46Å; S33-L36 PolarHBondContact O-N 3.39Å; S33-T37 WeakPolarHBondContact O-CB 3.33Å; S33-T37 PolarHBondContact O-N 2.98Å; S33-T37 PolarHBondContact O-OG1 3.41Å |
| 34 | I | 88.3 | Confident | 82.6 | Confident | 114 Ų | 114 | 93 Ų | 93 | 59% | 0.585 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63 | -45 | 175.9 | -67.3 | 162.4 | 0 | 0 | 0 | 110.3 | L30 L31 L36 T37 A38 | L30-I34 WeakPolarHBondContact O-CD1 3.33Å; L30-I34 VanDerWaalsContact O-CG1 3.27Å; L30-I34 WeakPolarHBondContact O-CG1 3.5Å; L30-I34 PolarHBondContact O-N 2.8Å; L31-I34 PolarHBondContact O-N 2.81Å; I34-L36 PolarHBondContact O-N 2.88Å; I34-T37 PolarHBondContact O-N 2.93Å; I34-A38 WeakPolarHBondContact O-CB 3.45Å; I34-A38 PolarHBondContact O-N 3.22Å |
| 35 | Y | 87.2 | Confident | 81.7 | Confident | 132 Ų | 132 | 91.9 Ų | 91.9 | 52% | 0.518 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 178.9 | -158.4 | -89.2 | 0 | 0 | 0 | 112.1 | L31 S32 A38 L39 L299 | L31-Y35 WeakPolarHBondContact O-CB 3.21Å; L31-Y35 PolarHBondContact O-N 3.44Å; S32-Y35 PolarHBondContact O-N 2.83Å; Y35-A38 PolarHBondContact O-N 3.44Å; Y35-L39 WeakPolarHBondContact O-CB 3.2Å; Y35-L39 PolarHBondContact O-N 3.38Å; Y35-L299 HydrophobicContact CE2-CD2 4.28Å |
| 36 | L | 87.4 | Confident | 80.7 | Confident | 120 Ų | 120 | 94.1 Ų | 94.1 | 63% | 0.628 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.6 | -37.5 | 177.6 | -167 | 65.8 | 0 | 0 | 0 | 112.1 | S32 S33 I34 L39 A40 | S32-L36 WeakPolarHBondContact O-CB 3.3Å; S32-L36 PolarHBondContact O-N 2.83Å; S33-L36 PolarHBondContact O-N 3.39Å; I34-L36 PolarHBondContact O-N 2.88Å; L36-L39 PolarHBondContact O-N 3.14Å; L36-A40 PolarHBondContact O-N 3.12Å |
| 37 | T | 87.1 | Confident | 79.6 | Confident | 94 Ų | 94 | 99.6 Ų | 99.6 | 58% | 0.577 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.5 | -42.3 | 174.6 | -58 | 0 | 0 | 0 | 0 | 111.4 | S33 I34 L39 A40 A41 | S33-T37 WeakPolarHBondContact O-CB 3.33Å; S33-T37 PolarHBondContact O-N 2.98Å; S33-T37 PolarHBondContact O-OG1 3.41Å; I34-T37 PolarHBondContact O-N 2.93Å; T37-L39 VanDerWaalsContact C-N 3.33Å; T37-A40 PolarHBondContact O-N 2.9Å; T37-A41 WeakPolarHBondContact O-CB 3.27Å; T37-A41 PolarHBondContact O-N 2.97Å |
| 38 | A | 79.9 | Confident | 78.4 | Confident | 61 Ų | 61 | 103.8 Ų | 103.8 | 50% | 0.504 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.8 | -38.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I34 Y35 A41 S42 | I34-A38 WeakPolarHBondContact O-CB 3.45Å; I34-A38 PolarHBondContact O-N 3.22Å; Y35-A38 PolarHBondContact O-N 3.44Å; A38-A41 PolarHBondContact O-N 3.05Å; A38-S42 PolarHBondContact O-N 2.91Å |
| 39 | L | 85.9 | Confident | 77.2 | Confident | 101 Ų | 101 | 106.1 Ų | 106.1 | 53% | 0.529 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.2 | -46 | 176.1 | -169.1 | 66.8 | 0 | 0 | 0 | 111.6 | Y35 L36 T37 A41 S42 E43 | Y35-L39 WeakPolarHBondContact O-CB 3.2Å; Y35-L39 PolarHBondContact O-N 3.38Å; L36-L39 PolarHBondContact O-N 3.14Å; T37-L39 VanDerWaalsContact C-N 3.33Å; L39-A41 VanDerWaalsContact C-N 3.34Å; L39-A41 PolarHBondContact O-N 3.19Å; L39-S42 WeakPolarHBondContact O-CB 3.49Å; L39-S42 PolarHBondContact O-N 3.24Å; L39-S42 VanDerWaalsContact O-N 3.14Å; L39-E43 PolarHBondContact O-N 3.15Å |
| 40 | A | 82.5 | Confident | 75.8 | Confident | 63 Ų | 63 | 106.1 Ų | 106.1 | 52% | 0.521 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62.4 | -39 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | L36 T37 S42 E43 | L36-A40 PolarHBondContact O-N 3.12Å; T37-A40 PolarHBondContact O-N 2.9Å; A40-S42 VanDerWaalsContact C-N 3.29Å; A40-S42 PolarHBondContact O-N 3Å; A40-E43 PolarHBondContact O-N 3.41Å |
| 41 | A | 79.9 | Confident | 74.5 | Confident | 65 Ų | 65 | 110.3 Ų | 110.3 | 54% | 0.537 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -67.5 | -28.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | T37 A38 L39 E43 | T37-A41 WeakPolarHBondContact O-CB 3.27Å; T37-A41 PolarHBondContact O-N 2.97Å; A38-A41 PolarHBondContact O-N 3.05Å; L39-A41 VanDerWaalsContact C-N 3.34Å; L39-A41 PolarHBondContact O-N 3.19Å; A41-E43 VanDerWaalsContact C-N 3.28Å; A41-E43 PolarHBondContact O-N 3.47Å |
| 42 | S | 78.9 | Confident | 73.1 | Confident | 88 Ų | 88 | 113.1 Ų | 113.1 | 62% | 0.615 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.5 | -24.1 | 174.6 | -173.5 | 0 | 0 | 0 | 0 | 113.2 | A38 L39 A40 | A38-S42 PolarHBondContact O-N 2.91Å; L39-S42 WeakPolarHBondContact O-CB 3.49Å; L39-S42 PolarHBondContact O-N 3.24Å; L39-S42 VanDerWaalsContact O-N 3.14Å; A40-S42 VanDerWaalsContact C-N 3.29Å; A40-S42 PolarHBondContact O-N 3Å |
| 43 | E | 78.6 | Confident | 71.7 | Confident | 167 Ų | 167 | 113.2 Ų | 113.2 | 78% | 0.78 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -84.7 | -30.1 | -174.8 | -162.1 | 168.1 | 171.2 | 0 | 0 | 112.4 | L39 A40 A41 G45 | L39-E43 PolarHBondContact O-N 3.15Å; A40-E43 PolarHBondContact O-N 3.41Å; A41-E43 VanDerWaalsContact C-N 3.28Å; A41-E43 PolarHBondContact O-N 3.47Å; E43-G45 VanDerWaalsContact C-N 3.31Å; E43-G45 PolarHBondContact O-N 3.23Å |
| 44 | S | 69.8 | Low | 70.2 | Confident | 104 Ų | 104 | 117.3 Ų | 117.3 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 3.9 | -179.1 | 83.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 45 | G | 59.6 | Low | 68.4 | Low | 53 Ų | 53 | 116.8 Ų | 116.8 | 55% | 0.546 | 69% | 0.691 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.3 | -13.4 | -168.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | E43 | E43-G45 VanDerWaalsContact C-N 3.31Å; E43-G45 PolarHBondContact O-N 3.23Å |
| 46 | N | 56.6 | Low | 66.8 | Low | 151 Ų | 151 | 119.8 Ų | 119.8 | 81% | 0.807 | 71% | 0.706 | S | S | * | * | | | trans | -97.4 | 1.2 | -162.1 | -72 | -11 | 0 | 0 | 0 | 115.9 | M48 | N46-M48 VanDerWaalsContact C-N 3.26Å; N46-M48 PolarHBondContact O-N 3.06Å; N46-M48 VanDerWaalsContact O-N 3.14Å |
| 47 | E | 61 | Low | 65.1 | Low | 178 Ų | 178 | 117.6 Ų | 117.6 | 83% | 0.832 | 71% | 0.713 | S | S | * | * | | | trans | -88.2 | 44.4 | -179.7 | -151.4 | -178.2 | 141.3 | 0 | 0 | 113.7 | T49 | E47-T49 VanDerWaalsContact C-N 3.26Å; E47-T49 PolarHBondContact O-N 2.99Å |
| 48 | M | 57.5 | Low | 63.2 | Low | 182 Ų | 182 | 119.1 Ų | 119.1 | 90% | 0.897 | 73% | 0.728 | S | S | * | * | | | trans | -80.7 | 76.6 | 172 | -123.2 | -177.6 | -170.8 | 0 | 0 | 111.7 | N46 S50 | N46-M48 VanDerWaalsContact C-N 3.26Å; N46-M48 PolarHBondContact O-N 3.06Å; N46-M48 VanDerWaalsContact O-N 3.14Å; M48-S50 PolarHBondContact O-N 3.33Å; M48-S50 VanDerWaalsContact O-N 3.12Å |
| 49 | T | 55.7 | Low | 62 | Low | 112 Ų | 112 | 120.8 Ų | 120.8 | 69% | 0.687 | 74% | 0.736 | S | S | * | * | | | trans | -4.1 | 94.5 | 155.1 | 39.2 | 0 | 0 | 0 | 0 | 117 | E47 K51 | E47-T49 VanDerWaalsContact C-N 3.26Å; E47-T49 PolarHBondContact O-N 2.99Å; T49-K51 VanDerWaalsContact C-N 3.34Å; T49-K51 PolarHBondContact O-N 2.91Å |
| 50 | S | 52.6 | Low | 60 | Low | 108 Ų | 108 | 123.5 Ų | 123.5 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | | | trans | -73.6 | 86.3 | 161.9 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | M48 | M48-S50 PolarHBondContact O-N 3.33Å; M48-S50 VanDerWaalsContact O-N 3.12Å |
| 51 | K | 62.3 | Low | 58.4 | Low | 194 Ų | 194 | 125.3 Ų | 125.3 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | | | trans | -96.8 | 85 | 167 | -102 | -177.1 | 175.9 | 175.9 | 0 | 110 | T49 G53 | T49-K51 VanDerWaalsContact C-N 3.34Å; T49-K51 PolarHBondContact O-N 2.91Å; K51-G53 PolarHBondContact O-N 2.94Å |
| 52 | N | 52.8 | Low | 56.8 | Low | 147 Ų | 147 | 128 Ų | 128 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | | | trans | -64.2 | 94.7 | 167.3 | -91.8 | -4.8 | 0 | 0 | 0 | 110.5 | I54 | N52-I54 PolarHBondContact O-N 3.21Š|
| 53 | G | 53.3 | Low | 55.1 | Low | 74 Ų | 74 | 130.1 Ų | 130.1 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | | | trans | -74.1 | 99.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | K51 A55 | K51-G53 PolarHBondContact O-N 2.94Å; G53-A55 PolarHBondContact O-N 2.95Å |
| 54 | I | 56.7 | Low | 53.6 | Low | 155 Ų | 155 | 126.7 Ų | 126.7 | 80% | 0.795 | 78% | 0.778 | S | S | * | * | | | trans | -71.2 | 98.3 | 170.8 | -63.5 | 175.5 | 0 | 0 | 0 | 108.4 | N52 K56 | N52-I54 PolarHBondContact O-N 3.21Å; I54-K56 HydrophobicContact CG2-CB 4.48Å; I54-K56 PolarHBondContact O-N 3.29Å |
| 55 | A | 51.6 | Low | 52.5 | Low | 104 Ų | 104 | 128.2 Ų | 128.2 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | trans | -75.9 | 99.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | G53 | G53-A55 PolarHBondContact O-N 2.95Š|
| 56 | K | 52.5 | Low | 51.9 | Low | 194 Ų | 194 | 132.8 Ų | 132.8 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | | | trans | -110.2 | 111.3 | 170 | -156.1 | 179.3 | -172 | -175.8 | 0 | 108.3 | I54 | I54-K56 HydrophobicContact CG2-CB 4.48Å; I54-K56 PolarHBondContact O-N 3.29Å |
| 57 | G | 52.3 | Low | 51.4 | Low | 75 Ų | 75 | 131.5 Ų | 131.5 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | -71.4 | 155.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 58 | S | 47.1 | Very low | 50.9 | Low | 126 Ų | 126 | 131.7 Ų | 131.7 | 88% | 0.881 | 79% | 0.794 | S | S | * | * | | | trans | -152.7 | 143.7 | 157 | -169.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 59 | S | 54.9 | Low | 50.5 | Low | 96 Ų | 96 | 131.8 Ų | 131.8 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | | | trans | -90.8 | 165.1 | -168.9 | -45.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 60 | D | 44.8 | Very low | 50.1 | Low | 158 Ų | 158 | 136.3 Ų | 136.3 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | | | trans | 74.8 | 140.4 | 142.2 | -65.9 | -36.4 | 0 | 0 | 0 | 123.6 | | |
| 61 | S | 47.1 | Very low | 49.6 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | | | trans | 105 | 98.9 | 142.1 | -151.3 | 0 | 0 | 0 | 0 | 119.4 | | |
| 62 | T | 47.3 | Very low | 49 | Very low | 122 Ų | 122 | 132 Ų | 132 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | | | | 42.8 | 120 | 120.7 | -15.8 | 0 | 0 | 0 | 0 | 120.3 | | |
| 63 | V | 42.6 | Very low | 49 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | | | | 168.2 | 141.2 | 112.2 | 156.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 64 | A | 47.6 | Very low | 48.9 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -83.3 | 141 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 65 | V | 47.4 | Very low | 48.2 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | | | trans | -139.7 | 133.7 | 149.1 | 176.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 66 | D | 45.3 | Very low | 47.6 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | | | trans | -91.1 | 135.3 | 179.1 | -173 | 10.2 | 0 | 0 | 0 | 110.1 | | |
| 67 | T | 47.5 | Very low | 47.4 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | | | trans | -163.1 | 120.1 | 165 | -59.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 68 | E | 49.1 | Very low | 46.8 | Very low | 181 Ų | 181 | 139.3 Ų | 139.3 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | | | trans | -66.5 | 137.7 | 165.5 | -63.6 | -171.6 | 113 | 0 | 0 | 111.8 | | |
| 69 | E | 49.8 | Very low | 46.5 | Very low | 185 Ų | 185 | 141.9 Ų | 141.9 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | trans | -153.5 | 98 | 133.6 | -143.4 | -179.3 | 149.8 | 0 | 0 | 114.7 | G71 | E69-G71 PolarHBondContact O-N 3.49Š|
| 70 | K | 46.7 | Very low | 46 | Very low | 207 Ų | 207 | 144.1 Ų | 144.1 | 90% | 0.9 | 79% | 0.785 | S | S | * | * | | | trans | 10.6 | 100.7 | 135.5 | -164.6 | 177.4 | -171.5 | 175.2 | 0 | 117.4 | | |
| 71 | G | 42.7 | Very low | 45.8 | Very low | 68 Ų | 68 | 142.8 Ų | 142.8 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | trans | -142.6 | 55.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | E69 R73 | E69-G71 PolarHBondContact O-N 3.49Å; G71-R73 PolarHBondContact O-N 3.3Å |
| 72 | N | 49.8 | Very low | 45.7 | Very low | 143 Ų | 143 | 147.8 Ų | 147.8 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | | | trans | -51.8 | 116.8 | -180 | -178.4 | 33.1 | 0 | 0 | 0 | 113.1 | N74 | N72-N74 PolarHBondContact OD1-OD1 3.47Š|
| 73 | R | 52.8 | Low | 45.4 | Very low | 233 Ų | 233 | 148.3 Ų | 148.3 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | | | trans | -136.2 | 118.2 | 166.9 | -69.4 | -168.4 | -169.5 | 165.7 | 8 | 111.3 | G71 | G71-R73 PolarHBondContact O-N 3.3Š|
| 74 | N | 51.2 | Low | 45.3 | Very low | 125 Ų | 125 | 150.7 Ų | 150.7 | 67% | 0.668 | 79% | 0.788 | S | S | * | * | | | trans | -69 | 130.5 | -174 | -45.8 | -30.9 | 0 | 0 | 0 | 110.6 | N72 T76 | N72-N74 PolarHBondContact OD1-OD1 3.47Å; N74-T76 PolarHBondContact O-N 2.84Å |
| 75 | N | 43 | Very low | 44.9 | Very low | 155 Ų | 155 | 150.7 Ų | 150.7 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | | | trans | -73.4 | 95.6 | 172.6 | 41.6 | -13.9 | 0 | 0 | 0 | 110.9 | L77 | N75-L77 PolarHBondContact O-N 3.48Š|
| 76 | T | 39.2 | Very low | 44.7 | Very low | 129 Ų | 129 | 154 Ų | 154 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | -64.6 | 96.1 | 171 | -57.3 | 0 | 0 | 0 | 0 | 110.4 | N74 T78 | N74-T76 PolarHBondContact O-N 2.84Å; T76-T78 PolarHBondContact O-N 2.88Å |
| 77 | L | 47.3 | Very low | 44.3 | Very low | 149 Ų | 149 | 152 Ų | 152 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | | | trans | -83.1 | 98.1 | 176.8 | -159.8 | 161.1 | 0 | 0 | 0 | 108.8 | N75 K79 | N75-L77 PolarHBondContact O-N 3.48Å; L77-K79 VanDerWaalsContact C-N 3.34Å; L77-K79 PolarHBondContact O-N 3.14Å |
| 78 | T | 39.4 | Very low | 44 | Very low | 112 Ų | 112 | 151.8 Ų | 151.8 | 69% | 0.687 | 78% | 0.781 | S | S | * | * | | | trans | -66.6 | 86.9 | -177.3 | -47.3 | 0 | 0 | 0 | 0 | 111.6 | T76 I80 | T76-T78 PolarHBondContact O-N 2.88Å; T78-I80 HydrophobicContact CG2-CG1 3.98Å; T78-I80 PolarHBondContact O-N 3.04Å |
| 79 | K | 40.9 | Very low | 43.5 | Very low | 180 Ų | 180 | 148.9 Ų | 148.9 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | | | trans | -74.9 | 88.8 | 170.7 | -138.3 | -177.2 | -172.3 | -175.3 | 0 | 108.3 | L77 L81 | L77-K79 VanDerWaalsContact C-N 3.34Å; L77-K79 PolarHBondContact O-N 3.14Å; K79-L81 PolarHBondContact O-N 3.45Å |
| 80 | I | 45.7 | Very low | 43 | Very low | 143 Ų | 143 | 143.5 Ų | 143.5 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | | | trans | -69.8 | 103.7 | 169.4 | -61.1 | -176.2 | 0 | 0 | 0 | 107.3 | T78 F82 | T78-I80 HydrophobicContact CG2-CG1 3.98Å; T78-I80 PolarHBondContact O-N 3.04Å; I80-F82 PolarHBondContact O-N 3.43Å |
| 81 | L | 38.8 | Very low | 42.5 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 68% | 0.681 | 77% | 0.769 | S | S | * | * | | | trans | -80 | 109.9 | 178.6 | -163.7 | 74.8 | 0 | 0 | 0 | 108.3 | K79 N83 | K79-L81 PolarHBondContact O-N 3.45Å; L81-N83 PolarHBondContact O-N 3.44Å |
| 82 | F | 45 | Very low | 42.2 | Very low | 204 Ų | 204 | 144.9 Ų | 144.9 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | | | trans | -66.3 | 120.2 | 165.8 | -102.2 | -93.7 | 0 | 0 | 0 | 108.5 | I80 | I80-F82 PolarHBondContact O-N 3.43Š|
| 83 | N | 42 | Very low | 41.6 | Very low | 133 Ų | 133 | 147.7 Ų | 147.7 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | | | trans | -146.8 | 74.2 | -176 | -165.2 | 96.9 | 0 | 0 | 0 | 110.9 | L81 | L81-N83 PolarHBondContact O-N 3.44Š|
| 84 | E | 40.5 | Very low | 40.6 | Very low | 183 Ų | 183 | 144.6 Ų | 144.6 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | | | trans | -155.8 | 151.3 | 165.7 | -80.3 | -145.7 | 96 | 0 | 0 | 109.2 | | |
| 85 | T | 38.5 | Very low | 39.8 | Very low | 94 Ų | 94 | 145.4 Ų | 145.4 | 58% | 0.577 | 78% | 0.782 | S | S | * | * | | | cis | -160.4 | 113.6 | -26.6 | -76.5 | 0 | 0 | 0 | 0 | 104.2 | T87 | T85-T87 PolarHBondContact O-N 3.4Å; T85-T87 VanDerWaalsContact O-N 3.08Å |
| 86 | E | 42.9 | Very low | 39.3 | Very low | 205 Ų | 205 | 143.9 Ų | 143.9 | 96% | 0.958 | 78% | 0.783 | S | S | * | * | | | trans | -73.8 | 99 | 173.8 | -77.1 | -163.3 | 134.6 | 0 | 0 | 110.3 | | |
| 87 | T | 37.8 | Very low | 38.8 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | | | trans | -100.5 | 97.5 | 169.8 | -53.4 | 0 | 0 | 0 | 0 | 110 | T85 V89 | T85-T87 PolarHBondContact O-N 3.4Å; T85-T87 VanDerWaalsContact O-N 3.08Å; T87-V89 HydrophobicContact CG2-CG2 4.22Å; T87-V89 PolarHBondContact O-N 3.46Å |
| 88 | S | 40.6 | Very low | 38 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | -62.8 | 121.2 | 166.4 | 178 | 0 | 0 | 0 | 0 | 110.8 | | |
| 89 | V | 39 | Very low | 37.6 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | -135.4 | 112.6 | 161.7 | 179.6 | 0 | 0 | 0 | 0 | 108.1 | T87 | T87-V89 HydrophobicContact CG2-CG2 4.22Å; T87-V89 PolarHBondContact O-N 3.46Å |
| 90 | G | 39.6 | Very low | 37.3 | Very low | 71 Ų | 71 | 140 Ų | 140 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | | | trans | -73.8 | 142.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 91 | Q | 35.4 | Very low | 36.6 | Very low | 189 Ų | 189 | 138.4 Ų | 138.4 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | -129.4 | 135 | 166 | -101.1 | -174.4 | -5.4 | 0 | 0 | 111.2 | | |
| 92 | S | 35.8 | Very low | 36.3 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | | | trans | -62.5 | 136.9 | -178.7 | -57 | 0 | 0 | 0 | 0 | 112.4 | | |
| 93 | Q | 37.4 | Very low | 35.6 | Very low | 202 Ų | 202 | 135.5 Ų | 135.5 | 94% | 0.944 | 80% | 0.801 | S | S | * | * | | | trans | -77.5 | 124 | 158.8 | -63.4 | -178.2 | 28.8 | 0 | 0 | 108.9 | | |
| 94 | Q | 33.3 | Very low | 35.2 | Very low | 168 Ų | 168 | 133.5 Ų | 133.5 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | | | trans | -140.6 | 104.5 | 167 | -167.1 | 170.7 | -13.2 | 0 | 0 | 111.5 | | |
| 95 | L | 32.6 | Very low | 34.9 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | | | trans | 36.8 | 116.8 | 144.3 | -66.6 | 157.7 | 0 | 0 | 0 | 119.3 | | |
| 96 | S | 32.4 | Very low | 34.5 | Very low | 123 Ų | 123 | 137 Ų | 137 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | | | | -158.9 | 101.7 | 127.6 | -82.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 97 | S | 30.3 | Very low | 34.1 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -93 | 118.8 | 174.7 | -52.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 98 | T | 29.9 | Very low | 34 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 83% | 0.828 | 81% | 0.81 | S | S | * | * | | | trans | -147.3 | 95.9 | 173.5 | -48.4 | 0 | 0 | 0 | 0 | 112 | | |
| 99 | S | 31.5 | Very low | 33.7 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | | | trans | -167.4 | 109.2 | 145.6 | 45.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 100 | S | 33.6 | Very low | 33.5 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | -52.3 | 134 | 172.6 | 45 | 0 | 0 | 0 | 0 | 114.4 | | |
| 101 | S | 32.1 | Very low | 33.2 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | | | trans | -73.1 | 137.8 | 151.3 | 48.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 102 | T | 31.2 | Very low | 33.2 | Very low | 133 Ų | 133 | 134.2 Ų | 134.2 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | | | trans | -169.5 | 106 | 144.2 | -72.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 103 | T | 31 | Very low | 33.1 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | | | trans | -128.9 | 107 | 161.8 | -58 | 0 | 0 | 0 | 0 | 107.3 | | |
| 104 | A | 34.6 | Very low | 33.2 | Very low | 91 Ų | 91 | 128.2 Ų | 128.2 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | | | trans | -142.7 | 84.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109 | R106 | A104-R106 PolarHBondContact O-N 3.36Š|
| 105 | V | 33.3 | Very low | 33.8 | Very low | 133 Ų | 133 | 125.9 Ų | 125.9 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | | | trans | -70.8 | 118.9 | 169 | 174.3 | 0 | 0 | 0 | 0 | 107.9 | | |
| 106 | R | 30.6 | Very low | 34.2 | Very low | 218 Ų | 218 | 128.1 Ų | 128.1 | 82% | 0.823 | 81% | 0.813 | S | S | * | * | | | trans | -112.6 | 103.3 | 166.2 | -172.6 | 172.2 | -175.3 | 158.8 | 1.1 | 109.2 | A104 Q108 | A104-R106 PolarHBondContact O-N 3.36Å; R106-Q108 PolarHBondContact O-N 3.26Å |
| 107 | T | 33.2 | Very low | 34.6 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | | | trans | -58.8 | 129.7 | 167.8 | 17.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 108 | Q | 36.1 | Very low | 35 | Very low | 169 Ų | 169 | 131 Ų | 131 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | trans | -119 | 134.6 | 153.5 | -67.5 | -164.3 | 18.2 | 0 | 0 | 107.8 | R106 | R106-Q108 PolarHBondContact O-N 3.26Š|
| 109 | S | 34.1 | Very low | 35.9 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 134.5 | -172.6 | -170.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 110 | A | 35.5 | Very low | 36.8 | Very low | 88 Ų | 88 | 131.8 Ų | 131.8 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 147 | 164 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 111 | G | 33 | Very low | 37.2 | Very low | 73 Ų | 73 | 131.3 Ų | 131.3 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 147.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | G113 | G111-G113 PolarHBondContact O-N 3.47Š|
| 112 | N | 35.4 | Very low | 38.3 | Very low | 175 Ų | 175 | 131.2 Ų | 131.2 | 94% | 0.936 | 80% | 0.798 | S | S | * | * | | | trans | -71.2 | 113.1 | 173.6 | -76.2 | 0.7 | 0 | 0 | 0 | 110.5 | | |
| 113 | G | 33.6 | Very low | 38.8 | Very low | 77 Ų | 77 | 133.1 Ų | 133.1 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | | | trans | -108.3 | 105.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | G111 | G111-G113 PolarHBondContact O-N 3.47Š|
| 114 | S | 39.2 | Very low | 39.2 | Very low | 115 Ų | 115 | 131 Ų | 131 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 138.4 | 172.8 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | E116 | S114-E116 PolarHBondContact O-N 2.94Š|
| 115 | P | 46.9 | Very low | 39.6 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 121.2 | 179.3 | 30.2 | -33 | 0 | 0 | 0 | 110.8 | | |
| 116 | E | 41 | Very low | 40.6 | Very low | 189 Ų | 189 | 134 Ų | 134 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 138 | 163.1 | -117.7 | -174.5 | 158.6 | 0 | 0 | 110.3 | S114 | S114-E116 PolarHBondContact O-N 2.94Š|
| 117 | N | 39.9 | Very low | 41 | Very low | 144 Ų | 144 | 129.4 Ų | 129.4 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | | | trans | -122.3 | 98.4 | -160.1 | 175.6 | 33 | 0 | 0 | 0 | 109.4 | | |
| 118 | L | 39.6 | Very low | 41.2 | Very low | 155 Ų | 155 | 127.1 Ų | 127.1 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | | | trans | -140.9 | 92.7 | -179.7 | -70.4 | 176.9 | 0 | 0 | 0 | 113.2 | | |
| 119 | L | 47.9 | Very low | 41.4 | Very low | 158 Ų | 158 | 124.6 Ų | 124.6 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | | | trans | -92.3 | 161.2 | 138.1 | -98.5 | 107.8 | 0 | 0 | 0 | 107.9 | | |
| 120 | P | 52.1 | Low | 41.5 | Very low | 113 Ų | 113 | 124.2 Ų | 124.2 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | cis | -121.7 | -159.6 | 28.4 | 44.6 | -29.4 | 0 | 0 | 0 | 112.3 | | |
| 121 | S | 41.8 | Very low | 41.6 | Very low | 107 Ų | 107 | 128.2 Ų | 128.2 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | cis | -155.3 | 168.9 | 14.9 | -130.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 122 | P | 55 | Low | 41.6 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | | | trans | -91.5 | 163.4 | -171.9 | 37.6 | -35.6 | 0 | 0 | 0 | 114 | | |
| 123 | I | 40.8 | Very low | 41.6 | Very low | 172 Ų | 172 | 126.8 Ų | 126.8 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | | | trans | -161.4 | 136.6 | 154.2 | -107.9 | 150 | 0 | 0 | 0 | 113.1 | | |
| 124 | A | 39.9 | Very low | 42 | Very low | 96 Ų | 96 | 131.4 Ų | 131.4 | 79% | 0.793 | 78% | 0.781 | S | S | * | * | | | trans | 62.7 | 129.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 125 | E | 42.9 | Very low | 41.9 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | | | trans | -73.7 | 176.9 | 161.2 | -48.1 | -180 | 141.6 | 0 | 0 | 112 | | |
| 126 | P | 54.3 | Low | 41.6 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | | -141.9 | 139.8 | 84.8 | 34.4 | -17.5 | 0 | 0 | 0 | 116.8 | | |
| 127 | V | 39.3 | Very low | 41.4 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | | | trans | 33.3 | 120.1 | 131 | -174.4 | 0 | 0 | 0 | 0 | 119.3 | | |
| 128 | G | 37.3 | Very low | 41.4 | Very low | 80 Ų | 80 | 134 Ų | 134 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | | | trans | -167.4 | 84.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 129 | T | 40 | Very low | 41.2 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | | | trans | -88.4 | 133 | -170.7 | -46 | 0 | 0 | 0 | 0 | 114.6 | | |
| 130 | S | 36.6 | Very low | 40.5 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | trans | 177.3 | 122.3 | 153.4 | -80.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 131 | Q | 37.8 | Very low | 39.9 | Very low | 172 Ų | 172 | 130.2 Ų | 130.2 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | cis | 58.5 | 125.6 | 32.8 | -92.3 | -158.1 | 56.4 | 0 | 0 | 112.4 | | |
| 132 | T | 33.2 | Very low | 39.7 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 64% | 0.638 | 79% | 0.785 | S | S | * | * | | | cis | -161.7 | 178.4 | 11.7 | -64.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 133 | V | 33.8 | Very low | 39 | Very low | 114 Ų | 114 | 133 Ų | 133 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | | | trans | 108.2 | 106.5 | 149.8 | -171.5 | 0 | 0 | 0 | 0 | 117.3 | | |
| 134 | L | 42.5 | Very low | 39.5 | Very low | 175 Ų | 175 | 130.7 Ų | 130.7 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | | | trans | -68.1 | 137.6 | 153.3 | -70.3 | 148.5 | 0 | 0 | 0 | 110 | | |
| 135 | Q | 36.4 | Very low | 39.5 | Very low | 184 Ų | 184 | 130.5 Ų | 130.5 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | -135.5 | 128.2 | 159.7 | -119.3 | 176.5 | 17.2 | 0 | 0 | 112.6 | | |
| 136 | S | 41.1 | Very low | 39.4 | Very low | 117 Ų | 117 | 129 Ų | 129 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | -101.3 | 134 | 177.1 | -169.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 137 | T | 36.8 | Very low | 38.6 | Very low | 135 Ų | 135 | 130 Ų | 130 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | | | trans | -121.1 | 102.3 | 175.2 | 13 | 0 | 0 | 0 | 0 | 111 | | |
| 138 | K | 40.7 | Very low | 38.9 | Very low | 185 Ų | 185 | 131.9 Ų | 131.9 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -86 | 128.8 | 163.2 | 170.7 | -169.9 | 178.3 | -174.6 | 0 | 107.8 | | |
| 139 | T | 35.2 | Very low | 39.1 | Very low | 135 Ų | 135 | 133.7 Ų | 133.7 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | | | trans | -131.2 | 140.6 | 166.5 | -31.8 | 0 | 0 | 0 | 0 | 110 | | |
| 140 | T | 33.8 | Very low | 39 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 64% | 0.638 | 79% | 0.793 | S | S | * | * | | | trans | -125.6 | 143 | -167.7 | -71.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 141 | S | 38 | Very low | 39.1 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | | | trans | 19.5 | 123.3 | 155 | 177.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 142 | E | 38.1 | Very low | 39.3 | Very low | 193 Ų | 193 | 137.8 Ų | 137.8 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | | | | -155.5 | 147.4 | 121.7 | -121 | 174.9 | 166.8 | 0 | 0 | 112.9 | | |
| 143 | A | 40.4 | Very low | 40.1 | Very low | 81 Ų | 81 | 138.6 Ų | 138.6 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | | | trans | -89.6 | 170.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 144 | P | 51.2 | Low | 40.6 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | | | | -151.7 | 157.6 | 107.2 | 36.4 | -19.2 | 0 | 0 | 0 | 117.9 | | |
| 145 | A | 40.9 | Very low | 40.4 | Very low | 91 Ų | 91 | 139.5 Ų | 139.5 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | | | trans | 57.4 | 107.1 | 138.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 146 | T | 40.2 | Very low | 40.5 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | | | trans | -54.2 | 138.1 | 148.2 | -32 | 0 | 0 | 0 | 0 | 112.4 | | |
| 147 | T | 37.8 | Very low | 40.4 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | | | trans | -135.6 | 141.2 | 153.2 | 40.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 148 | L | 45.1 | Very low | 40.8 | Very low | 163 Ų | 163 | 140.2 Ų | 140.2 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | | | trans | -104.4 | 135.2 | -172.1 | -168.3 | 95.7 | 0 | 0 | 0 | 109.6 | | |
| 149 | S | 41.1 | Very low | 41 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -158.9 | 121.3 | 157.6 | -168.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 150 | N | 37.6 | Very low | 41.2 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | | | trans | -82.3 | 137.5 | 169.4 | -81.5 | -15.9 | 0 | 0 | 0 | 111 | | |
| 151 | K | 39.3 | Very low | 41.6 | Very low | 213 Ų | 213 | 140.9 Ų | 140.9 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | | | trans | -156.7 | 136.6 | 137 | -126.3 | 174.9 | -177.2 | 178.3 | 0 | 113.3 | | |
| 152 | T | 41.5 | Very low | 42 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | trans | -94.2 | -173.5 | -171.2 | -21.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 153 | P | 50.2 | Low | 42.5 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | | | | -103 | 157.6 | -112.1 | 38.8 | -25.7 | 0 | 0 | 0 | 114.8 | | |
| 154 | A | 44 | Very low | 42.9 | Very low | 110 Ų | 110 | 142.3 Ų | 142.3 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | | | trans | -112 | 149.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 155 | K | 39.7 | Very low | 42.6 | Very low | 197 Ų | 197 | 141.7 Ų | 141.7 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | | | trans | -122.3 | 148.8 | -161.3 | -177.6 | -177.6 | -175.3 | 176.4 | 0 | 109.9 | | |
| 156 | K | 38.3 | Very low | 42.9 | Very low | 197 Ų | 197 | 143.5 Ų | 143.5 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | | | trans | 68.8 | 147.4 | -175.5 | -68.4 | 176.9 | 166.8 | -178.1 | 0 | 112.7 | | |
| 157 | T | 37.9 | Very low | 43.6 | Very low | 117 Ų | 117 | 146 Ų | 146 | 72% | 0.718 | 81% | 0.811 | S | S | * | * | | | cis | -143.2 | 148.1 | 36.5 | -65.2 | 0 | 0 | 0 | 0 | 114 | F159 | T157-F159 HydrophobicContact CG2-CE2 4.3Š|
| 158 | L | 45.2 | Very low | 44.7 | Very low | 137 Ų | 137 | 144.5 Ų | 144.5 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | | | trans | -60.7 | 129.9 | 171.7 | 173.3 | 76.3 | 0 | 0 | 0 | 113 | | |
| 159 | F | 44.8 | Very low | 45.7 | Very low | 194 Ų | 194 | 142.4 Ų | 142.4 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | | | trans | -139.6 | 120.3 | 148.6 | -84.2 | -71.2 | 0 | 0 | 0 | 111.5 | T157 | T157-F159 HydrophobicContact CG2-CE2 4.3Š|
| 160 | T | 41.1 | Very low | 46.6 | Very low | 105 Ų | 105 | 142.7 Ų | 142.7 | 64% | 0.644 | 80% | 0.799 | S | S | * | * | | | trans | -99.2 | 120.3 | 177.4 | -60.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 161 | T | 40.9 | Very low | 47 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | | | trans | -145.8 | 100.7 | 162.8 | 46 | 0 | 0 | 0 | 0 | 110.4 | | |
| 162 | T | 46.1 | Very low | 47.5 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -105 | 171.2 | 167.1 | -9.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 163 | P | 49.5 | Very low | 47.9 | Very low | 121 Ų | 121 | 139 Ų | 139 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | | -94.5 | 152.2 | -115.1 | 37.7 | -28.8 | 0 | 0 | 0 | 113.9 | S165 | P163-S165 PolarHBondContact O-N 3.49Š|
| 164 | L | 48.4 | Very low | 47.6 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 118.4 | 169.2 | -170.3 | 64.6 | 0 | 0 | 0 | 110.6 | | |
| 165 | S | 44.8 | Very low | 47.8 | Very low | 112 Ų | 112 | 138.5 Ų | 138.5 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 123.6 | 170.9 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | P163 | P163-S165 PolarHBondContact O-N 3.49Š|
| 166 | T | 47.5 | Very low | 47.9 | Very low | 129 Ų | 129 | 135.4 Ų | 135.4 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | | | trans | -115 | 110.9 | 167.4 | 43.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 167 | K | 55.1 | Low | 48.7 | Very low | 189 Ų | 189 | 133.9 Ų | 133.9 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 143 | 178.4 | 178.1 | -176.9 | 176.7 | -177.5 | 0 | 113.3 | | |
| 168 | P | 60.4 | Low | 49.9 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 149.5 | 175.1 | 30.3 | -35.3 | 0 | 0 | 0 | 112.5 | | |
| 169 | P | 67 | Low | 50.3 | Low | 119 Ų | 119 | 133.3 Ų | 133.3 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 158.9 | 175.6 | 30.8 | -34.5 | 0 | 0 | 0 | 112.7 | | |
| 170 | P | 58.4 | Low | 50.5 | Low | 123 Ų | 123 | 130.7 Ų | 130.7 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 154.6 | -169.8 | -7.6 | 26.3 | 0 | 0 | 0 | 113.7 | | |
| 171 | A | 46 | Very low | 51 | Low | 97 Ų | 97 | 134.1 Ų | 134.1 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 129 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 172 | T | 50.1 | Low | 51.4 | Low | 131 Ų | 131 | 133.6 Ų | 133.6 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -92.8 | 113.3 | 170.8 | -52.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 173 | Q | 49.6 | Very low | 51.2 | Low | 184 Ų | 184 | 132.3 Ų | 132.3 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | trans | -93.3 | 131.6 | 167.9 | -63.1 | 179.3 | 45.6 | 0 | 0 | 109.2 | | |
| 174 | T | 45.4 | Very low | 50.8 | Low | 124 Ų | 124 | 131.1 Ų | 131.1 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | | | trans | -153 | 95.4 | 168.3 | -55.9 | 0 | 0 | 0 | 0 | 106.7 | | |
| 175 | S | 47.4 | Very low | 50.4 | Low | 97 Ų | 97 | 129.7 Ų | 129.7 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | | | | 83.5 | 90.3 | 94.5 | -164.5 | 0 | 0 | 0 | 0 | 114 | | |
| 176 | T | 42 | Very low | 50.3 | Low | 131 Ų | 131 | 130.4 Ų | 130.4 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | 5.1 | 125.2 | 141.1 | -9.4 | 0 | 0 | 0 | 0 | 119 | | |
| 177 | L | 54.9 | Low | 50.4 | Low | 166 Ų | 166 | 129.7 Ų | 129.7 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | | | trans | -143.5 | 146.5 | 141.6 | -94.6 | 117.8 | 0 | 0 | 0 | 110.4 | | |
| 178 | P | 64.3 | Low | 49.7 | Very low | 111 Ų | 111 | 126.3 Ų | 126.3 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 171.3 | -173 | 36.1 | -35.2 | 0 | 0 | 0 | 113.8 | | |
| 179 | P | 52.6 | Low | 49 | Very low | 130 Ų | 130 | 128 Ų | 128 | 84% | 0.844 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 140.7 | -157.1 | 33.1 | -35.7 | 0 | 0 | 0 | 115.1 | | |
| 180 | T | 49.1 | Very low | 48 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 121 | 169.9 | -56.7 | 0 | 0 | 0 | 0 | 111 | P182 | T180-P182 WeakPolarHBondContact O-CD 3.35Š|
| 181 | K | 51.9 | Low | 47.2 | Very low | 178 Ų | 178 | 131 Ų | 131 | 77% | 0.774 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 118.9 | 178.9 | 174.7 | -171.6 | -178.9 | -177.3 | 0 | 111 | | |
| 182 | P | 49 | Very low | 47.2 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 141.6 | 158.8 | 31.1 | -29.7 | 0 | 0 | 0 | 110.2 | T180 | T180-P182 WeakPolarHBondContact O-CD 3.35Š|
| 183 | S | 42.4 | Very low | 47.1 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | | | trans | -116.5 | 146.1 | -176.1 | -172.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 184 | S | 40.9 | Very low | 46.6 | Very low | 95 Ų | 95 | 130.6 Ų | 130.6 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | | | trans | 58.6 | 121.4 | 154.5 | -164.8 | 0 | 0 | 0 | 0 | 119.1 | | |
| 185 | T | 38.7 | Very low | 46.3 | Very low | 135 Ų | 135 | 133.8 Ų | 133.8 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | | | | -168.9 | 128.2 | 101.9 | 18.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 186 | T | 43.3 | Very low | 46 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | -107.2 | 118.9 | 179.1 | -44.8 | 0 | 0 | 0 | 0 | 109.4 | T188 | T186-T188 PolarHBondContact O-N 2.88Š|
| 187 | P | 50 | Low | 46.2 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | | | trans | -83 | 106 | 169.2 | 30.6 | -30.3 | 0 | 0 | 0 | 110.4 | L189 | P187-L189 PolarHBondContact O-N 2.87Š|
| 188 | T | 40.3 | Very low | 45.2 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | | | trans | -71.6 | 120.8 | 168.3 | -55.8 | 0 | 0 | 0 | 0 | 109.6 | T186 | T186-T188 PolarHBondContact O-N 2.88Š|
| 189 | L | 45.9 | Very low | 44 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | trans | -123.6 | 108.6 | 167.8 | -79.2 | 176.6 | 0 | 0 | 0 | 111.4 | P187 F191 | P187-L189 PolarHBondContact O-N 2.87Å; L189-F191 HydrophobicContact CB-CD2 4.48Å; L189-F191 HydrophobicContact CB-CE2 4.1Å |
| 190 | T | 44.9 | Very low | 43.3 | Very low | 123 Ų | 123 | 132.1 Ų | 132.1 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | trans | -70.1 | 127.1 | 174.2 | -49.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 191 | F | 42.4 | Very low | 43.1 | Very low | 182 Ų | 182 | 135 Ų | 135 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | | | trans | -131.2 | 141.7 | 165.7 | -78.8 | -75.7 | 0 | 0 | 0 | 112.7 | L189 | L189-F191 HydrophobicContact CB-CD2 4.48Å; L189-F191 HydrophobicContact CB-CE2 4.1Å |
| 192 | L | 47.1 | Very low | 42.4 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | -89 | 144.1 | -164.3 | -156.2 | 70.7 | 0 | 0 | 0 | 111 | T194 | L192-T194 PolarHBondContact O-N 3.45Š|
| 193 | P | 46.7 | Very low | 41.8 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | | | trans | -75.7 | 116.6 | 177.3 | 29.5 | -33.8 | 0 | 0 | 0 | 111.5 | | |
| 194 | T | 38.7 | Very low | 42 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 84% | 0.84 | 78% | 0.778 | S | S | * | * | | | trans | -106.1 | 147.4 | 173 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | L192 | L192-T194 PolarHBondContact O-N 3.45Š|
| 195 | K | 39.6 | Very low | 41.8 | Very low | 190 Ų | 190 | 139.3 Ų | 139.3 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | | | trans | -80.4 | 164.6 | -157.5 | -63.7 | -177.8 | 176.5 | -179.1 | 0 | 116 | | |
| 196 | T | 41.8 | Very low | 42.1 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | | | trans | -44.2 | 148.6 | 162.8 | 29.8 | 0 | 0 | 0 | 0 | 115 | | |
| 197 | P | 44.7 | Very low | 42.4 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | | -130 | 143.2 | 101.2 | 35 | -25.5 | 0 | 0 | 0 | 111.9 | | |
| 198 | T | 34.9 | Very low | 41.8 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | | | | 79.1 | 90.5 | 57.2 | -51.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 199 | T | 38.7 | Very low | 41.8 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | | | trans | 65.2 | 121 | 140.6 | -46.4 | 0 | 0 | 0 | 0 | 120.9 | | |
| 200 | S | 38.3 | Very low | 41.5 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | | | | -165 | 144.2 | 122.7 | -82.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 201 | K | 45.1 | Very low | 41.4 | Very low | 198 Ų | 198 | 140.1 Ų | 140.1 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | | | trans | -99.6 | 146.7 | 174.6 | -55.7 | 170.9 | 177.8 | 178.4 | 0 | 109.3 | | |
| 202 | T | 37 | Very low | 41.2 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | | | trans | -168.6 | 103.4 | 152.8 | -72.4 | 0 | 0 | 0 | 0 | 106.9 | | |
| 203 | V | 36.9 | Very low | 41.1 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | | | | 66.2 | 96.2 | 96.5 | -178.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 204 | E | 45.4 | Very low | 40.8 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | | 24.5 | 114.8 | 125.5 | -169.4 | 171.6 | -159 | 0 | 0 | 119.4 | | |
| 205 | N | 37.9 | Very low | 41 | Very low | 158 Ų | 158 | 137.6 Ų | 137.6 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | | | | -165.5 | 145.2 | 126.8 | -117.9 | -5.1 | 0 | 0 | 0 | 113.5 | | |
| 206 | S | 43.8 | Very low | 41.2 | Very low | 105 Ų | 105 | 136.1 Ų | 136.1 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | | | trans | -118 | 143.3 | 164.7 | 179.2 | 0 | 0 | 0 | 0 | 107.1 | | |
| 207 | P | 50.1 | Low | 41.7 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | | | | -156.4 | 165.7 | 104.7 | 38.8 | -20.2 | 0 | 0 | 0 | 117.6 | | |
| 208 | N | 36.9 | Very low | 41.6 | Very low | 150 Ų | 150 | 136.5 Ų | 136.5 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | | | trans | 53.7 | 114.9 | 149 | -86.2 | -15.7 | 0 | 0 | 0 | 121.2 | | |
| 209 | M | 40.5 | Very low | 41.6 | Very low | 196 Ų | 196 | 134.9 Ų | 134.9 | 97% | 0.966 | 80% | 0.799 | S | S | * | * | | | trans | -102.9 | 115.6 | 151.8 | -120.3 | -176.1 | 165.7 | 0 | 0 | 109.9 | | |
| 210 | T | 39 | Very low | 41.8 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | trans | -82 | 128.6 | 177.2 | -59.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 211 | A | 43.6 | Very low | 41.8 | Very low | 89 Ų | 89 | 143.3 Ų | 143.3 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | | | trans | -79.7 | 127.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 212 | T | 37.8 | Very low | 41.5 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -88.5 | 111.3 | 174.3 | -51.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 213 | I | 46.5 | Very low | 41.4 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | | | trans | -92.3 | 119.2 | 168.9 | -64.9 | 173.3 | 0 | 0 | 0 | 108.8 | V215 | I213-V215 HydrophobicContact CG2-CG2 4.12Š|
| 214 | T | 39 | Very low | 41.2 | Very low | 135 Ų | 135 | 138 Ų | 138 | 83% | 0.828 | 81% | 0.809 | S | S | * | * | | | trans | -82.6 | 115.9 | 172.7 | -58.3 | 0 | 0 | 0 | 0 | 110 | | |
| 215 | V | 42.9 | Very low | 40.7 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 74% | 0.739 | 81% | 0.807 | S | S | * | * | | | trans | -104.1 | 127.3 | 176.1 | -172.8 | 0 | 0 | 0 | 0 | 109.6 | I213 | I213-V215 HydrophobicContact CG2-CG2 4.12Š|
| 216 | L | 45.2 | Very low | 40.5 | Very low | 159 Ų | 159 | 133 Ų | 133 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 130.8 | 178.5 | -167.8 | 72 | 0 | 0 | 0 | 110.5 | | |
| 217 | P | 51 | Low | 40.1 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 143.1 | -172.1 | 30.8 | -34.4 | 0 | 0 | 0 | 113.8 | | |
| 218 | T | 42.1 | Very low | 39.4 | Very low | 136 Ų | 136 | 135 Ų | 135 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 122.1 | -179.2 | -23.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 219 | G | 36.4 | Very low | 39.6 | Very low | 81 Ų | 81 | 133.6 Ų | 133.6 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | | | trans | -91.7 | 101.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 220 | K | 41.7 | Very low | 40 | Very low | 196 Ų | 196 | 129.8 Ų | 129.8 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | | | trans | -89.6 | 136.5 | 166.8 | -71.4 | 179.9 | 178.3 | 176.3 | 0 | 110.8 | | |
| 221 | K | 39 | Very low | 39.7 | Very low | 220 Ų | 220 | 129.3 Ų | 129.3 | 96% | 0.957 | 80% | 0.8 | S | S | * | * | | | trans | -149.4 | 155.5 | 150.4 | -111.7 | 170.3 | -174.9 | 178 | 0 | 110.3 | | |
| 222 | S | 38.1 | Very low | 39.5 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | | | trans | -129.6 | 167.2 | -156.6 | -173 | 0 | 0 | 0 | 0 | 112.3 | | |
| 223 | S | 36 | Very low | 39.4 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | | | trans | 70.2 | 154.9 | 171.4 | 82 | 0 | 0 | 0 | 0 | 115.5 | | |
| 224 | S | 32.6 | Very low | 39 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | cis | -151.8 | -170.7 | 12.3 | 61.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 225 | S | 35.1 | Very low | 39 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -105.2 | 146.5 | -162.7 | 54.4 | 0 | 0 | 0 | 0 | 117.2 | | |
| 226 | S | 33.4 | Very low | 38.8 | Very low | 117 Ų | 117 | 132 Ų | 132 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | 176.4 | 137.7 | 131.4 | 49.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 227 | S | 34.6 | Very low | 38.4 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | cis | 83.8 | 83.3 | 41.3 | -176.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 228 | V | 36 | Very low | 37.8 | Very low | 148 Ų | 148 | 136.9 Ų | 136.9 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | | | trans | -143.8 | 145.9 | 146.7 | -165.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 229 | V | 41.3 | Very low | 37.5 | Very low | 121 Ų | 121 | 135 Ų | 135 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | | | trans | -121 | 147.2 | -173.2 | 165.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 230 | P | 48.3 | Very low | 37.3 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | | | | -143.7 | 129.8 | 112.6 | 22.6 | -0.2 | 0 | 0 | 0 | 117.1 | | |
| 231 | T | 32.6 | Very low | 37.1 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 71% | 0.712 | 77% | 0.773 | S | S | * | * | | | | 60.8 | 109.5 | 122.7 | -43 | 0 | 0 | 0 | 0 | 119.3 | | |
| 232 | Q | 39.6 | Very low | 37.1 | Very low | 160 Ų | 160 | 129.5 Ų | 129.5 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | cis | 90.8 | 107.6 | 48.3 | -172.7 | -167.7 | -11.9 | 0 | 0 | 116.5 | | |
| 233 | K | 35.3 | Very low | 37.4 | Very low | 191 Ų | 191 | 129.7 Ų | 129.7 | 83% | 0.83 | 76% | 0.762 | S | S | * | * | | | trans | 176 | 122.6 | 135.1 | -106.9 | 176.7 | 174.4 | 177.1 | 0 | 108.2 | | |
| 234 | S | 38.8 | Very low | 37.4 | Very low | 85 Ų | 85 | 129.9 Ų | 129.9 | 59% | 0.594 | 76% | 0.759 | S | S | * | * | | | cis | 84.8 | 107.4 | 22.2 | 90 | 0 | 0 | 0 | 0 | 116.9 | | |
| 235 | I | 39.2 | Very low | 37.8 | Very low | 162 Ų | 162 | 128 Ų | 128 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | | | trans | -171.6 | 108.4 | 142.6 | -88.8 | 143.2 | 0 | 0 | 0 | 103.7 | | |
| 236 | A | 37.6 | Very low | 37.9 | Very low | 81 Ų | 81 | 132 Ų | 132 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | | | | 67.2 | 135.2 | 71.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 237 | R | 37.2 | Very low | 38.1 | Very low | 206 Ų | 206 | 131 Ų | 131 | 78% | 0.777 | 74% | 0.742 | S | S | * | * | | | cis | -171.5 | 149 | 6.4 | -126.2 | -176.9 | 178 | -176.7 | 3.4 | 109.2 | | |
| 238 | K | 39.4 | Very low | 38.2 | Very low | 173 Ų | 173 | 131.2 Ų | 131.2 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | | | trans | 57.9 | 164.9 | 147.1 | -68.4 | 178.6 | -179.8 | -167.4 | 0 | 118.9 | | |
| 239 | S | 34.9 | Very low | 38.4 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | | | cis | 177 | 163.8 | -30.9 | -169.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 240 | T | 33 | Very low | 38.4 | Very low | 109 Ų | 109 | 131 Ų | 131 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | | | trans | 81.7 | 116.2 | 143.4 | -58.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 241 | L | 37 | Very low | 37.8 | Very low | 163 Ų | 163 | 132 Ų | 132 | 85% | 0.853 | 74% | 0.738 | S | S | * | * | | | trans | 70.5 | 122.7 | 145.8 | -66.8 | 169.9 | 0 | 0 | 0 | 122.9 | | |
| 242 | S | 38.3 | Very low | 38 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | | | trans | -64 | 154.5 | 143.1 | -24.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 243 | P | 45.7 | Very low | 38.1 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | | | | -158.8 | 164.1 | 81 | 42.6 | -22.4 | 0 | 0 | 0 | 118.7 | | |
| 244 | T | 34.5 | Very low | 39.4 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | | | trans | 60.5 | 101.1 | 132.2 | -58.7 | 0 | 0 | 0 | 0 | 123.5 | | |
| 245 | S | 42.8 | Very low | 40 | Very low | 78 Ų | 78 | 129 Ų | 129 | 55% | 0.545 | 75% | 0.746 | S | S | . | * | | | | 75.8 | 159.3 | 126.3 | 73 | 0 | 0 | 0 | 0 | 125.3 | | |
| 246 | F | 36.9 | Very low | 39.9 | Very low | 194 Ų | 194 | 126.7 Ų | 126.7 | 85% | 0.851 | 74% | 0.744 | S | S | * | * | | | trans | 72.1 | 150.8 | 171.9 | -47.2 | -67.4 | 0 | 0 | 0 | 115.7 | | |
| 247 | S | 37.1 | Very low | 40.1 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | | | cis | -157.2 | 151.8 | 6.6 | -153.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 248 | T | 36.8 | Very low | 40.1 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | | | | 28.6 | 144.5 | 128.1 | -26.1 | 0 | 0 | 0 | 0 | 119.4 | | |
| 249 | E | 39.7 | Very low | 40.2 | Very low | 184 Ų | 184 | 129 Ų | 129 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | | | cis | -161.9 | 175.6 | 34.5 | -156.9 | 160.3 | 144.8 | 0 | 0 | 114.8 | | |
| 250 | A | 41.2 | Very low | 40.4 | Very low | 82 Ų | 82 | 130.9 Ų | 130.9 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | | | trans | -63.8 | 175.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 251 | T | 35.3 | Very low | 40.6 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | | | | -179.3 | 138.3 | 113.5 | -76.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 252 | A | 37.3 | Very low | 40.5 | Very low | 86 Ų | 86 | 127.1 Ų | 127.1 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | trans | 68.2 | 92.3 | 153.9 | 0 | 0 | 0 | 0 | 0 | 125.4 | | |
| 253 | M | 42.3 | Very low | 40.2 | Very low | 186 Ų | 186 | 126.1 Ų | 126.1 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | | | | 57.4 | 159.9 | 111.6 | -79.1 | -160.3 | 73.4 | 0 | 0 | 125.4 | | |
| 254 | P | 62.3 | Low | 40.2 | Very low | 98 Ų | 98 | 131.4 Ų | 131.4 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | | | trans | -118.8 | -166.2 | -147.2 | 45 | -33.8 | 0 | 0 | 0 | 116 | | |
| 255 | P | 52.4 | Low | 40.4 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | | | | -145.3 | 144.4 | 109.4 | 37.6 | -22.8 | 0 | 0 | 0 | 118.5 | | |
| 256 | S | 36.6 | Very low | 40.6 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | | | trans | 30.2 | 126.6 | 142.7 | -58.5 | 0 | 0 | 0 | 0 | 123.6 | | |
| 257 | R | 40.8 | Very low | 40.6 | Very low | 251 Ų | 251 | 133.3 Ų | 133.3 | 95% | 0.947 | 80% | 0.8 | S | S | * | * | | | | -148 | 125.9 | 119.7 | -129.5 | 176.4 | 177.8 | -155.8 | -2.9 | 113.4 | | |
| 258 | T | 38.7 | Very low | 40.7 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 72% | 0.724 | 80% | 0.802 | S | S | * | * | | | trans | -69.1 | 156.7 | 167.5 | 38.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 259 | T | 40.2 | Very low | 41.2 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 86% | 0.859 | 81% | 0.811 | S | S | * | * | | | | -150.4 | 144.5 | 75.3 | 46.2 | 0 | 0 | 0 | 0 | 116.5 | | |
| 260 | T | 39.5 | Very low | 41.2 | Very low | 135 Ų | 135 | 128.9 Ų | 128.9 | 83% | 0.828 | 81% | 0.806 | S | S | * | * | | | trans | -70 | 142 | 174.6 | -49.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 261 | S | 37.8 | Very low | 41.3 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | | | trans | 176.4 | 133.6 | 139.4 | -174.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 262 | G | 34.8 | Very low | 41.8 | Very low | 67 Ų | 67 | 128.7 Ų | 128.7 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | | | cis | 166.1 | 158.2 | -1.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 263 | G | 31.6 | Very low | 42.2 | Very low | 88 Ų | 88 | 135.3 Ų | 135.3 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | | | trans | 101.4 | 122.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 264 | R | 45.8 | Very low | 42.3 | Very low | 226 Ų | 226 | 131 Ų | 131 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | -116.7 | 123.2 | -178.9 | 163.8 | 86.4 | 163.4 | 178.5 | -5.3 | 109.2 | | |
| 265 | S | 37.5 | Very low | 41.6 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | -155.5 | 146.9 | 154.8 | 54 | 0 | 0 | 0 | 0 | 111.4 | | |
| 266 | K | 48.5 | Very low | 41.4 | Very low | 187 Ų | 187 | 130.1 Ų | 130.1 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | | | trans | -81.4 | 137.5 | 177.4 | -64.2 | 168.3 | 175.4 | 175.2 | 0 | 108.9 | | |
| 267 | S | 36.6 | Very low | 42.1 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 88% | 0.881 | 79% | 0.787 | S | S | * | * | | | trans | -147.8 | 162.5 | 151.6 | -160.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 268 | A | 38.9 | Very low | 42.5 | Very low | 88 Ų | 88 | 126.3 Ų | 126.3 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | -60.3 | 159.5 | -161.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | S270 | A268-S270 PolarHBondContact O-N 3.35Š|
| 269 | A | 48 | Very low | 43.1 | Very low | 108 Ų | 108 | 126.2 Ų | 126.2 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | | | trans | -22 | 117.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 270 | S | 38.3 | Very low | 43.7 | Very low | 107 Ų | 107 | 122.6 Ų | 122.6 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | trans | -131.5 | 128.2 | 143.3 | -169.4 | 0 | 0 | 0 | 0 | 108.2 | A268 T272 | A268-S270 PolarHBondContact O-N 3.35Å; S270-T272 VanDerWaalsContact C-N 3.34Å; S270-T272 PolarHBondContact O-N 2.92Å |
| 271 | A | 45 | Very low | 44.3 | Very low | 86 Ų | 86 | 117.8 Ų | 117.8 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | | | trans | -75.6 | 86.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | R273 | A271-R273 PolarHBondContact O-N 3.32Š|
| 272 | T | 44.7 | Very low | 45.2 | Very low | 127 Ų | 127 | 114.5 Ų | 114.5 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | | | trans | -69.6 | 71.5 | 165.5 | -51.7 | 0 | 0 | 0 | 0 | 109.2 | S270 V274 | S270-T272 VanDerWaalsContact C-N 3.34Å; S270-T272 PolarHBondContact O-N 2.92Å; T272-V274 PolarHBondContact O-N 2.85Å |
| 273 | R | 46.3 | Very low | 46.3 | Very low | 225 Ų | 225 | 114.2 Ų | 114.2 | 85% | 0.849 | 71% | 0.709 | S | S | * | * | | | trans | -69.3 | 83.3 | 160.9 | -73.7 | -172.2 | -178 | -118 | 3.7 | 107.5 | A271 | A271-R273 PolarHBondContact O-N 3.32Š|
| 274 | V | 43.5 | Very low | 47.6 | Very low | 95 Ų | 95 | 115.4 Ų | 115.4 | 58% | 0.576 | 69% | 0.694 | S | S | * | * | | | | 31.7 | 98 | 129.1 | -175.5 | 0 | 0 | 0 | 0 | 113.8 | T272 V276 | T272-V274 PolarHBondContact O-N 2.85Å; V274-V276 HydrophobicContact CG1-CB 3.75Å; V274-V276 HydrophobicContact CG1-CG2 3.33Å; V274-V276 PolarHBondContact O-N 3.25Å |
| 275 | P | 47.7 | Very low | 48.1 | Very low | 101 Ų | 101 | 108.5 Ų | 108.5 | 66% | 0.656 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 64.1 | 172.4 | 33 | -35.7 | 0 | 0 | 0 | 111 | | |
| 276 | V | 47.7 | Very low | 49.4 | Very low | 100 Ų | 100 | 109.6 Ų | 109.6 | 61% | 0.606 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -14.6 | 173.2 | 164.7 | 0 | 0 | 0 | 0 | 111.7 | V274 | V274-V276 HydrophobicContact CG1-CB 3.75Å; V274-V276 HydrophobicContact CG1-CG2 3.33Å; V274-V276 PolarHBondContact O-N 3.25Å |
| 277 | V | 51 | Low | 50.4 | Low | 127 Ų | 127 | 107 Ų | 107 | 77% | 0.77 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -72.3 | -31.1 | 176.3 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | A280 G281 | V277-A280 PolarHBondContact O-N 3.44Å; V277-G281 PolarHBondContact O-N 3Å |
| 278 | E | 50.2 | Low | 52 | Low | 158 Ų | 158 | 106.3 Ų | 106.3 | 74% | 0.738 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -72.5 | -35 | -177 | -163.2 | 168.4 | -166.3 | 0 | 0 | 112.8 | A280 G281 | E278-A280 VanDerWaalsContact C-N 3.32Å; E278-A280 PolarHBondContact O-N 2.97Å; E278-G281 PolarHBondContact O-N 3.39Å |
| 279 | V | 50.8 | Low | 53.8 | Low | 116 Ų | 116 | 106.6 Ų | 106.6 | 70% | 0.703 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.2 | -32.5 | 176.6 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 280 | A | 52.4 | Low | 55.4 | Low | 63 Ų | 63 | 107 Ų | 107 | 52% | 0.521 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -71.9 | -29.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V277 E278 L284 | V277-A280 PolarHBondContact O-N 3.44Å; E278-A280 VanDerWaalsContact C-N 3.32Å; E278-A280 PolarHBondContact O-N 2.97Å; A280-L284 PolarHBondContact O-N 3.48Å |
| 281 | G | 53.9 | Low | 57.4 | Low | 34 Ų | 34 | 105.3 Ų | 105.3 | 35% | 0.351 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.2 | -40.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V277 E278 A283 L284 T285 | V277-G281 PolarHBondContact O-N 3Å; E278-G281 PolarHBondContact O-N 3.39Å; G281-A283 PolarHBondContact O-N 3.41Å; G281-L284 PolarHBondContact O-N 2.88Å; G281-T285 PolarHBondContact O-N 3.36Å; G281-T285 PolarHBondContact O-OG1 3.25Å |
| 282 | A | 56.7 | Low | 59.3 | Low | 58 Ų | 58 | 103.9 Ų | 103.9 | 48% | 0.479 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.6 | -33.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T285 Q286 | A282-T285 PolarHBondContact O-OG1 2.83Å; A282-T285 VanDerWaalsContact O-OG1 3.12Å; A282-Q286 PolarHBondContact O-N 2.87Å |
| 283 | A | 57.3 | Low | 61.3 | Low | 61 Ų | 61 | 101 Ų | 101 | 50% | 0.504 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70.8 | -38.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G281 Q286 Q287 | G281-A283 PolarHBondContact O-N 3.41Å; A283-Q286 PolarHBondContact O-N 3.42Å; A283-Q287 PolarHBondContact O-N 3.41Å; A283-Q287 VanDerWaalsContact O-N 3.15Å |
| 284 | L | 59.6 | Low | 63.2 | Low | 112 Ų | 112 | 96.3 Ų | 96.3 | 59% | 0.586 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.3 | -42.4 | 178 | -141.6 | 74.2 | 0 | 0 | 0 | 111.4 | A280 G281 Q287 L288 | A280-L284 PolarHBondContact O-N 3.48Å; G281-L284 PolarHBondContact O-N 2.88Å; L284-Q287 PolarHBondContact O-N 2.92Å; L284-L288 WeakPolarHBondContact O-CB 3.31Å; L284-L288 WeakPolarHBondContact O-CD1 3.36Å; L284-L288 PolarHBondContact O-N 3.49Å |
| 285 | T | 56.3 | Low | 65.2 | Low | 82 Ų | 82 | 95.8 Ų | 95.8 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.4 | -35.2 | 178.1 | 54.5 | 0 | 0 | 0 | 0 | 113 | G281 A282 L288 V289 | G281-T285 PolarHBondContact O-N 3.36Å; G281-T285 PolarHBondContact O-OG1 3.25Å; A282-T285 PolarHBondContact O-OG1 2.83Å; A282-T285 VanDerWaalsContact O-OG1 3.12Å; T285-L288 PolarHBondContact O-N 2.91Å; T285-V289 WeakPolarHBondContact O-CB 3.42Å; T285-V289 VanDerWaalsContact O-CG2 3.3Å; T285-V289 WeakPolarHBondContact O-CG2 3.34Å; T285-V289 PolarHBondContact O-N 2.94Å |
| 286 | Q | 64.9 | Low | 67 | Low | 140 Ų | 140 | 93.7 Ų | 93.7 | 65% | 0.654 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.6 | -46.6 | 171 | -77.7 | -172 | -10.6 | 0 | 0 | 111.7 | A282 A283 L288 V289 D290 | A282-Q286 PolarHBondContact O-N 2.87Å; A283-Q286 PolarHBondContact O-N 3.42Å; Q286-L288 VanDerWaalsContact C-N 3.31Å; Q286-L288 PolarHBondContact O-N 2.93Å; Q286-V289 PolarHBondContact O-N 2.97Å; Q286-V289 VanDerWaalsContact O-N 3.08Å; Q286-D290 PolarHBondContact O-N 3.33Å |
| 287 | Q | 67.8 | Low | 69.1 | Low | 133 Ų | 133 | 93.7 Ų | 93.7 | 62% | 0.621 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.4 | -33.9 | 178.3 | -168.9 | 175.5 | -34.4 | 0 | 0 | 112.6 | A283 L284 T291 | A283-Q287 PolarHBondContact O-N 3.41Å; A283-Q287 VanDerWaalsContact O-N 3.15Å; L284-Q287 PolarHBondContact O-N 2.92Å; Q287-T291 WeakPolarHBondContact O-CB 3.36Å; Q287-T291 PolarHBondContact O-N 3Å; Q287-T291 PolarHBondContact O-OG1 2.93Å |
| 288 | L | 70.3 | Confident | 70.7 | Confident | 111 Ų | 111 | 93.2 Ų | 93.2 | 58% | 0.581 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65 | -40.7 | 169.8 | -89.9 | 148.1 | 0 | 0 | 0 | 112 | L284 T285 Q286 T291 A292 | L284-L288 WeakPolarHBondContact O-CB 3.31Å; L284-L288 WeakPolarHBondContact O-CD1 3.36Å; L284-L288 PolarHBondContact O-N 3.49Å; T285-L288 PolarHBondContact O-N 2.91Å; Q286-L288 VanDerWaalsContact C-N 3.31Å; Q286-L288 PolarHBondContact O-N 2.93Å; L288-T291 PolarHBondContact O-N 3.4Å; L288-A292 WeakPolarHBondContact O-CB 3.37Å; L288-A292 PolarHBondContact O-N 3.39Å |
| 289 | V | 77.6 | Confident | 72.1 | Confident | 95 Ų | 95 | 89.2 Ų | 89.2 | 58% | 0.576 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.9 | -41.4 | 176 | 167.5 | 0 | 0 | 0 | 0 | 111.6 | T285 Q286 A292 S293 | T285-V289 WeakPolarHBondContact O-CB 3.42Å; T285-V289 VanDerWaalsContact O-CG2 3.3Å; T285-V289 WeakPolarHBondContact O-CG2 3.34Å; T285-V289 PolarHBondContact O-N 2.94Å; Q286-V289 PolarHBondContact O-N 2.97Å; Q286-V289 VanDerWaalsContact O-N 3.08Å; V289-A292 PolarHBondContact O-N 3.41Å; V289-S293 WeakPolarHBondContact O-CB 3.3Å; V289-S293 PolarHBondContact O-N 2.99Å |
| 290 | D | 81.1 | Confident | 73.8 | Confident | 115 Ų | 115 | 90.6 Ų | 90.6 | 62% | 0.615 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.3 | -41.3 | 174.8 | -74 | -25.9 | 0 | 0 | 0 | 111.3 | Q286 S293 L294 | Q286-D290 PolarHBondContact O-N 3.33Å; D290-S293 PolarHBondContact O-N 2.87Å; D290-L294 WeakPolarHBondContact O-CB 3.38Å; D290-L294 PolarHBondContact O-N 2.99Å |
| 291 | T | 81.8 | Confident | 75.4 | Confident | 73 Ų | 73 | 89.3 Ų | 89.3 | 45% | 0.448 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.5 | -41.8 | 175.6 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | Q287 L288 L294 L295 | Q287-T291 WeakPolarHBondContact O-CB 3.36Å; Q287-T291 PolarHBondContact O-N 3Å; Q287-T291 PolarHBondContact O-OG1 2.93Å; L288-T291 PolarHBondContact O-N 3.4Å; T291-L294 WeakPolarHBondContact O-CB 3.31Å; T291-L294 PolarHBondContact O-N 3.09Å; T291-L295 HydrophobicContact CG2-CD1 4.38Å; T291-L295 WeakPolarHBondContact O-CB 3.48Å; T291-L295 WeakPolarHBondContact O-CG 3.44Å; T291-L295 PolarHBondContact O-N 2.89Å |
| 292 | A | 83.5 | Confident | 76.8 | Confident | 55 Ų | 55 | 92.7 Ų | 92.7 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.5 | -34.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L288 V289 L295 A296 | L288-A292 WeakPolarHBondContact O-CB 3.37Å; L288-A292 PolarHBondContact O-N 3.39Å; V289-A292 PolarHBondContact O-N 3.41Å; A292-L295 PolarHBondContact O-N 2.71Å; A292-A296 VanDerWaalsContact O-CB 3.28Å; A292-A296 WeakPolarHBondContact O-CB 3.46Å; A292-A296 PolarHBondContact O-N 3.22Å |
| 293 | S | 86.4 | Confident | 78 | Confident | 67 Ų | 67 | 93.7 Ų | 93.7 | 47% | 0.469 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 172.5 | -174.5 | 0 | 0 | 0 | 0 | 110.9 | V289 D290 L295 A296 V297 | V289-S293 WeakPolarHBondContact O-CB 3.3Å; V289-S293 PolarHBondContact O-N 2.99Å; D290-S293 PolarHBondContact O-N 2.87Å; S293-L295 VanDerWaalsContact C-N 3.34Å; S293-L295 PolarHBondContact O-N 3.41Å; S293-A296 PolarHBondContact O-N 2.92Å; S293-V297 WeakPolarHBondContact O-CG2 3.34Å; S293-V297 PolarHBondContact O-N 2.88Å |
| 294 | L | 86.7 | Confident | 79.4 | Confident | 127 Ų | 127 | 97.1 Ų | 97.1 | 67% | 0.665 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.1 | -44.5 | 173.3 | -164.2 | 96.5 | 0 | 0 | 0 | 111.6 | D290 T291 V297 L298 | D290-L294 WeakPolarHBondContact O-CB 3.38Å; D290-L294 PolarHBondContact O-N 2.99Å; T291-L294 WeakPolarHBondContact O-CB 3.31Å; T291-L294 PolarHBondContact O-N 3.09Å; L294-V297 PolarHBondContact O-N 3.28Å; L294-L298 VanDerWaalsContact O-CB 3.27Å; L294-L298 WeakPolarHBondContact O-CB 3.45Å; L294-L298 PolarHBondContact O-N 2.9Å |
| 295 | L | 85 | Confident | 80.6 | Confident | 83 Ų | 83 | 97.9 Ų | 97.9 | 44% | 0.435 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 175.4 | -74.6 | 169.9 | 0 | 0 | 0 | 112.4 | T291 A292 S293 L298 L299 | T291-L295 HydrophobicContact CG2-CD1 4.38Å; T291-L295 WeakPolarHBondContact O-CB 3.48Å; T291-L295 WeakPolarHBondContact O-CG 3.44Å; T291-L295 PolarHBondContact O-N 2.89Å; A292-L295 PolarHBondContact O-N 2.71Å; S293-L295 VanDerWaalsContact C-N 3.34Å; S293-L295 PolarHBondContact O-N 3.41Å; L295-L298 PolarHBondContact O-N 3.43Å; L295-L299 VanDerWaalsContact O-CB 3.31Å; L295-L299 WeakPolarHBondContact O-CB 3.47Å; L295-L299 VanDerWaalsContact O-CG 3.3Å; L295-L299 WeakPolarHBondContact O-CG 3.32Å; L295-L299 PolarHBondContact O-N 2.96Å |
| 296 | A | 87.1 | Confident | 81.9 | Confident | 57 Ų | 57 | 98.5 Ų | 98.5 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.9 | -43.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A292 S293 L299 F300 | A292-A296 VanDerWaalsContact O-CB 3.28Å; A292-A296 WeakPolarHBondContact O-CB 3.46Å; A292-A296 PolarHBondContact O-N 3.22Å; S293-A296 PolarHBondContact O-N 2.92Å; A296-L299 PolarHBondContact O-N 3.48Å; A296-F300 VanDerWaalsContact O-CB 3.23Å; A296-F300 WeakPolarHBondContact O-CB 3.37Å; A296-F300 PolarHBondContact O-N 3.36Å |
| 297 | V | 90.6 | Very high | 82.9 | Confident | 101 Ų | 101 | 94.9 Ų | 94.9 | 61% | 0.612 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.9 | -39.3 | 173.9 | 173.5 | 0 | 0 | 0 | 0 | 111 | S293 L294 G301 | S293-V297 WeakPolarHBondContact O-CG2 3.34Å; S293-V297 PolarHBondContact O-N 2.88Å; L294-V297 PolarHBondContact O-N 3.28Å; V297-G301 PolarHBondContact O-N 3.33Å |
| 298 | L | 85.4 | Confident | 83.8 | Confident | 116 Ų | 116 | 90.6 Ų | 90.6 | 61% | 0.607 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.9 | -44.7 | 176.1 | -174.9 | 68.2 | 0 | 0 | 0 | 112.1 | L294 L295 G301 L302 | L294-L298 VanDerWaalsContact O-CB 3.27Å; L294-L298 WeakPolarHBondContact O-CB 3.45Å; L294-L298 PolarHBondContact O-N 2.9Å; L295-L298 PolarHBondContact O-N 3.43Å; L298-G301 PolarHBondContact O-N 2.85Å; L298-L302 VanDerWaalsContact O-CB 3.3Å; L298-L302 WeakPolarHBondContact O-CB 3.45Å; L298-L302 PolarHBondContact O-N 3.41Å |
| 299 | L | 80 | Confident | 84.8 | Confident | 75 Ų | 75 | 88 Ų | 88 | 39% | 0.393 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 176 | -78.7 | 166.6 | 0 | 0 | 0 | 111.6 | Y35 L295 A296 L302 L303 | Y35-L299 HydrophobicContact CE2-CD2 4.28Å; L295-L299 VanDerWaalsContact O-CB 3.31Å; L295-L299 WeakPolarHBondContact O-CB 3.47Å; L295-L299 VanDerWaalsContact O-CG 3.3Å; L295-L299 WeakPolarHBondContact O-CG 3.32Å; L295-L299 PolarHBondContact O-N 2.96Å; A296-L299 PolarHBondContact O-N 3.48Å; L299-L302 PolarHBondContact O-N 2.94Å; L299-L303 VanDerWaalsContact O-CB 3.31Å; L299-L303 WeakPolarHBondContact O-CB 3.43Å; L299-L303 PolarHBondContact O-N 3.42Å |
| 300 | F | 85.3 | Confident | 85.1 | Confident | 145 Ų | 145 | 85.2 Ų | 85.2 | 64% | 0.636 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.9 | -43.7 | 174.8 | -178.5 | -100.8 | 0 | 0 | 0 | 111.6 | A296 L303 F304 | A296-F300 VanDerWaalsContact O-CB 3.23Å; A296-F300 WeakPolarHBondContact O-CB 3.37Å; A296-F300 PolarHBondContact O-N 3.36Å; F300-L303 PolarHBondContact O-N 3.36Å; F300-F304 WeakPolarHBondContact O-CB 3.48Å; F300-F304 PolarHBondContact O-N 2.88Å |
| 301 | G | 86.9 | Confident | 85.5 | Confident | 35 Ų | 35 | 83.1 Ų | 83.1 | 36% | 0.361 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V297 L298 F304 F305 | V297-G301 PolarHBondContact O-N 3.33Å; L298-G301 PolarHBondContact O-N 2.85Å; G301-F304 PolarHBondContact O-N 3.36Å; G301-F305 WeakPolarHBondContact O-CB 3.32Å; G301-F305 PolarHBondContact O-N 2.94Å |
| 302 | L | 82.9 | Confident | 85.8 | Confident | 106 Ų | 106 | 86 Ų | 86 | 56% | 0.555 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66 | -41.5 | 176.5 | -179.2 | 62.8 | 0 | 0 | 0 | 111.9 | L298 L299 F305 L306 | L298-L302 VanDerWaalsContact O-CB 3.3Å; L298-L302 WeakPolarHBondContact O-CB 3.45Å; L298-L302 PolarHBondContact O-N 3.41Å; L299-L302 PolarHBondContact O-N 2.94Å; L302-F305 PolarHBondContact O-N 2.94Å; L302-L306 WeakPolarHBondContact O-CB 3.49Å; L302-L306 PolarHBondContact O-N 2.91Å |
| 303 | L | 82.6 | Confident | 86 | Confident | 78 Ų | 78 | 87.6 Ų | 87.6 | 41% | 0.408 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.2 | -48 | 174.9 | 177 | 60.9 | 0 | 0 | 0 | 111.1 | L28 L299 F300 F305 L306 V307 | L28-L303 HydrophobicContact CD2-CD1 3.68Å; L299-L303 VanDerWaalsContact O-CB 3.31Å; L299-L303 WeakPolarHBondContact O-CB 3.43Å; L299-L303 PolarHBondContact O-N 3.42Å; F300-L303 PolarHBondContact O-N 3.36Å; L303-F305 VanDerWaalsContact C-N 3.34Å; L303-F305 PolarHBondContact O-N 2.99Å; L303-L306 PolarHBondContact O-N 3.41Å; L303-V307 HydrophobicContact CD1-CG2 4.4Å; L303-V307 WeakPolarHBondContact O-CG2 3.32Å; L303-V307 PolarHBondContact O-N 3.37Å |
| 304 | F | 84.9 | Confident | 86 | Confident | 134 Ų | 134 | 87.2 Ų | 87.2 | 59% | 0.588 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.7 | -41.6 | 176.3 | 179.1 | -100.1 | 0 | 0 | 0 | 112 | F300 G301 T308 | F300-F304 WeakPolarHBondContact O-CB 3.48Å; F300-F304 PolarHBondContact O-N 2.88Å; G301-F304 PolarHBondContact O-N 3.36Å; F304-T308 VanDerWaalsContact O-CB 3.27Å; F304-T308 WeakPolarHBondContact O-CB 3.26Å; F304-T308 PolarHBondContact O-N 2.81Å; F304-T308 PolarHBondContact O-OG1 3.03Å |
| 305 | F | 86.4 | Confident | 85.9 | Confident | 128 Ų | 128 | 86 Ų | 86 | 56% | 0.561 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61 | -47.7 | 174.3 | 176.4 | -102.3 | 0 | 0 | 0 | 111.5 | G301 L302 L303 V307 T308 V309 | G301-F305 WeakPolarHBondContact O-CB 3.32Å; G301-F305 PolarHBondContact O-N 2.94Å; L302-F305 PolarHBondContact O-N 2.94Å; L303-F305 VanDerWaalsContact C-N 3.34Å; L303-F305 PolarHBondContact O-N 2.99Å; F305-V307 PolarHBondContact O-N 3.37Å; F305-T308 WeakPolarHBondContact O-CB 3.4Å; F305-T308 PolarHBondContact O-N 2.94Å; F305-V309 HydrophobicContact CD1-CG2 4.35Å; F305-V309 HydrophobicContact CD2-CG2 4.3Å; F305-V309 HydrophobicContact CE1-CG2 3.96Å; F305-V309 HydrophobicContact CE2-CG2 3.9Å; F305-V309 HydrophobicContact CZ-CG2 3.72Å; F305-V309 WeakPolarHBondContact O-CG2 3.35Å; F305-V309 PolarHBondContact O-N 3.23Å |
| 306 | L | 82.2 | Confident | 85.9 | Confident | 94 Ų | 94 | 85 Ų | 85 | 49% | 0.492 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.6 | -42.3 | 179.6 | -175 | 62.2 | 0 | 0 | 0 | 112.1 | L302 L303 V309 A310 | L302-L306 WeakPolarHBondContact O-CB 3.49Å; L302-L306 PolarHBondContact O-N 2.91Å; L303-L306 PolarHBondContact O-N 3.41Å; L306-V309 PolarHBondContact O-N 3.39Å; L306-A310 VanDerWaalsContact O-CB 3.3Å; L306-A310 WeakPolarHBondContact O-CB 3.43Å; L306-A310 PolarHBondContact O-N 3.31Å |
| 307 | V | 86.5 | Confident | 85.8 | Confident | 65 Ų | 65 | 88.9 Ų | 88.9 | 39% | 0.394 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 173.4 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | L303 F305 A310 V311 | L303-V307 HydrophobicContact CD1-CG2 4.4Å; L303-V307 WeakPolarHBondContact O-CG2 3.32Å; L303-V307 PolarHBondContact O-N 3.37Å; F305-V307 PolarHBondContact O-N 3.37Å; V307-A310 PolarHBondContact O-N 2.93Å; V307-V311 WeakPolarHBondContact O-CG2 3.42Å; V307-V311 PolarHBondContact O-N 3.32Å |
| 308 | T | 87.4 | Confident | 85.5 | Confident | 43 Ų | 43 | 88.1 Ų | 88.1 | 26% | 0.264 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 178.7 | -62 | 0 | 0 | 0 | 0 | 111.7 | F304 F305 V311 F312 | F304-T308 VanDerWaalsContact O-CB 3.27Å; F304-T308 WeakPolarHBondContact O-CB 3.26Å; F304-T308 PolarHBondContact O-N 2.81Å; F304-T308 PolarHBondContact O-OG1 3.03Å; F305-T308 WeakPolarHBondContact O-CB 3.4Å; F305-T308 PolarHBondContact O-N 2.94Å; T308-V311 PolarHBondContact O-N 2.77Å; T308-F312 HydrophobicContact CG2-CD2 3.8Å; T308-F312 HydrophobicContact CG2-CE2 3.49Å; T308-F312 VanDerWaalsContact CG2-CE2 3.49Å; T308-F312 WeakPolarHBondContact O-CD2 3.3Å; T308-F312 PolarHBondContact O-N 2.95Å |
| 309 | V | 90.4 | Very high | 85.3 | Confident | 57 Ų | 57 | 85.9 Ų | 85.9 | 35% | 0.345 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 174.8 | 171.5 | 0 | 0 | 0 | 0 | 111 | F305 L306 V311 F312 V313 | F305-V309 HydrophobicContact CD1-CG2 4.35Å; F305-V309 HydrophobicContact CD2-CG2 4.3Å; F305-V309 HydrophobicContact CE1-CG2 3.96Å; F305-V309 HydrophobicContact CE2-CG2 3.9Å; F305-V309 HydrophobicContact CZ-CG2 3.72Å; F305-V309 WeakPolarHBondContact O-CG2 3.35Å; F305-V309 PolarHBondContact O-N 3.23Å; L306-V309 PolarHBondContact O-N 3.39Å; V309-V311 VanDerWaalsContact C-N 3.34Å; V309-V311 PolarHBondContact O-N 2.9Å; V309-F312 PolarHBondContact O-N 2.92Å; V309-V313 HydrophobicContact CG1-CG2 4.18Å; V309-V313 WeakPolarHBondContact O-CB 3.09Å; V309-V313 VanDerWaalsContact O-CG2 3.32Å; V309-V313 WeakPolarHBondContact O-CG2 3.48Å; V309-V313 PolarHBondContact O-N 3.46Å |
| 310 | A | 85 | Confident | 85.4 | Confident | 35 Ų | 35 | 89.3 Ų | 89.3 | 29% | 0.289 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L306 V307 V313 T314 | L306-A310 VanDerWaalsContact O-CB 3.3Å; L306-A310 WeakPolarHBondContact O-CB 3.43Å; L306-A310 PolarHBondContact O-N 3.31Å; V307-A310 PolarHBondContact O-N 2.93Å; A310-V313 PolarHBondContact O-N 3.37Å; A310-T314 WeakPolarHBondContact O-CB 3.35Å; A310-T314 PolarHBondContact O-N 3.01Å; A310-T314 PolarHBondContact O-OG1 2.96Å |
| 311 | V | 87.6 | Confident | 85.1 | Confident | 72 Ų | 72 | 88.1 Ų | 88.1 | 44% | 0.436 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 174.5 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | V307 T308 V309 T314 Q315 | V307-V311 WeakPolarHBondContact O-CG2 3.42Å; V307-V311 PolarHBondContact O-N 3.32Å; T308-V311 PolarHBondContact O-N 2.77Å; V309-V311 VanDerWaalsContact C-N 3.34Å; V309-V311 PolarHBondContact O-N 2.9Å; V311-T314 PolarHBondContact O-N 3.17Å; V311-Q315 WeakPolarHBondContact O-CG 3.27Å; V311-Q315 PolarHBondContact O-N 2.81Å |
| 312 | F | 88.9 | Confident | 84.4 | Confident | 132 Ų | 132 | 94.4 Ų | 94.4 | 58% | 0.579 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -62 | -43.7 | 176.4 | -78.7 | -57.5 | 0 | 0 | 0 | 112.6 | T308 V309 Q315 A316 | T308-F312 HydrophobicContact CG2-CD2 3.8Å; T308-F312 HydrophobicContact CG2-CE2 3.49Å; T308-F312 VanDerWaalsContact CG2-CE2 3.49Å; T308-F312 WeakPolarHBondContact O-CD2 3.3Å; T308-F312 PolarHBondContact O-N 2.95Å; V309-F312 PolarHBondContact O-N 2.92Å; F312-Q315 PolarHBondContact O-N 3.42Å; F312-A316 VanDerWaalsContact O-CB 3.31Å; F312-A316 WeakPolarHBondContact O-CB 3.31Å; F312-A316 PolarHBondContact O-N 3.11Å |
| 313 | V | 88.6 | Confident | 83.4 | Confident | 89 Ų | 89 | 96.5 Ų | 96.5 | 54% | 0.539 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 176.2 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | V309 A310 A316 Y317 | V309-V313 HydrophobicContact CG1-CG2 4.18Å; V309-V313 WeakPolarHBondContact O-CB 3.09Å; V309-V313 VanDerWaalsContact O-CG2 3.32Å; V309-V313 WeakPolarHBondContact O-CG2 3.48Å; V309-V313 PolarHBondContact O-N 3.46Å; A310-V313 PolarHBondContact O-N 3.37Å; V313-A316 PolarHBondContact O-N 3.27Å; V313-Y317 WeakPolarHBondContact O-CB 3.49Å; V313-Y317 PolarHBondContact O-N 3.38Å |
| 314 | T | 84.9 | Confident | 82.5 | Confident | 59 Ų | 59 | 96.1 Ų | 96.1 | 36% | 0.362 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 174.9 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | A310 V311 Y317 E318 | A310-T314 WeakPolarHBondContact O-CB 3.35Å; A310-T314 PolarHBondContact O-N 3.01Å; A310-T314 PolarHBondContact O-OG1 2.96Å; V311-T314 PolarHBondContact O-N 3.17Å; T314-Y317 PolarHBondContact O-N 2.88Å; T314-E318 PolarHBondContact O-N 2.8Å |
| 315 | Q | 84.9 | Confident | 81.2 | Confident | 102 Ų | 102 | 97.5 Ų | 97.5 | 48% | 0.477 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 177.5 | -71.6 | 177.4 | 9.7 | 0 | 0 | 112.3 | V311 F312 Y317 S319 | V311-Q315 WeakPolarHBondContact O-CG 3.27Å; V311-Q315 PolarHBondContact O-N 2.81Å; F312-Q315 PolarHBondContact O-N 3.42Å; Q315-Y317 VanDerWaalsContact C-N 3.35Å; Q315-S319 VanDerWaalsContact O-CB 3.26Å; Q315-S319 WeakPolarHBondContact O-CB 3.33Å; Q315-S319 PolarHBondContact O-N 3.26Å |
| 316 | A | 84.8 | Confident | 79.8 | Confident | 62 Ų | 62 | 94 Ų | 94 | 51% | 0.512 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.4 | -39.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F312 V313 S319 Y320 | F312-A316 VanDerWaalsContact O-CB 3.31Å; F312-A316 WeakPolarHBondContact O-CB 3.31Å; F312-A316 PolarHBondContact O-N 3.11Å; V313-A316 PolarHBondContact O-N 3.27Å; A316-S319 PolarHBondContact O-N 3.01Å; A316-Y320 VanDerWaalsContact O-CB 3.31Å; A316-Y320 WeakPolarHBondContact O-CB 3.31Å; A316-Y320 PolarHBondContact O-N 2.89Å |
| 317 | Y | 86.7 | Confident | 78.6 | Confident | 138 Ų | 138 | 96.7 Ų | 96.7 | 54% | 0.541 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.4 | -42.2 | 177.7 | -177.8 | -98 | 0 | 0 | 0 | 112.5 | V313 T314 Q315 Y320 R321 | V313-Y317 WeakPolarHBondContact O-CB 3.49Å; V313-Y317 PolarHBondContact O-N 3.38Å; T314-Y317 PolarHBondContact O-N 2.88Å; Q315-Y317 VanDerWaalsContact C-N 3.35Å; Y317-Y320 PolarHBondContact O-N 3Å; Y317-R321 HydrophobicContact CD1-CG 4.06Å; Y317-R321 HydrophobicContact CE1-CG 3.69Å; Y317-R321 HydrophobicContact CE2-CG 4.27Å; Y317-R321 HydrophobicContact CG-CG 4.49Å; Y317-R321 WeakPolarHBondContact O-CB 3.22Å; Y317-R321 WeakPolarHBondContact O-CG 3.42Å; Y317-R321 PolarHBondContact O-N 3.42Å |
| 318 | E | 82.9 | Confident | 77.5 | Confident | 86 Ų | 86 | 98 Ų | 98 | 40% | 0.402 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 171.6 | -75.3 | -157.7 | 170.4 | 0 | 0 | 111.8 | T314 Y320 R321 R322 | T314-E318 PolarHBondContact O-N 2.8Å; E318-Y320 VanDerWaalsContact C-N 3.28Å; E318-Y320 PolarHBondContact O-N 3.26Å; E318-R321 PolarHBondContact O-N 2.8Å; E318-R322 WeakPolarHBondContact O-CB 3.35Å; E318-R322 WeakPolarHBondContact O-CG 2.96Å; E318-R322 PolarHBondContact O-N 2.95Å; E318-R322 IonicContact OE1-NH2 3.82Å; E318-R322 IonicContact OE2-CZ 3.18Å; E318-R322 IonicContact OE2-NH1 2.89Å; E318-R322 PolarHBondContact OE2-NH1 3.4Å; E318-R322 IonicContact OE2-NH2 2.71Å; E318-R322 PolarHBondContact OE2-NH2 3.46Å |
| 319 | S | 82.4 | Confident | 76.6 | Confident | 68 Ų | 68 | 99.8 Ų | 99.8 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.2 | -35.7 | 176 | -174.7 | 0 | 0 | 0 | 0 | 112.4 | Q315 A316 | Q315-S319 VanDerWaalsContact O-CB 3.26Å; Q315-S319 WeakPolarHBondContact O-CB 3.33Å; Q315-S319 PolarHBondContact O-N 3.26Å; A316-S319 PolarHBondContact O-N 3.01Å |
| 320 | Y | 81.9 | Confident | 75.2 | Confident | 147 Ų | 147 | 104.2 Ų | 104.2 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.4 | -55.4 | 173.4 | -175.8 | -88.4 | 0 | 0 | 0 | 111.2 | A316 Y317 E318 R322 K323 | A316-Y320 VanDerWaalsContact O-CB 3.31Å; A316-Y320 WeakPolarHBondContact O-CB 3.31Å; A316-Y320 PolarHBondContact O-N 2.89Å; Y317-Y320 PolarHBondContact O-N 3Å; E318-Y320 VanDerWaalsContact C-N 3.28Å; E318-Y320 PolarHBondContact O-N 3.26Å; Y320-R322 PolarHBondContact O-N 3.19Å; Y320-K323 PolarHBondContact O-N 3.28Å |
| 321 | R | 78.9 | Confident | 74.4 | Confident | 120 Ų | 120 | 109.3 Ų | 109.3 | 45% | 0.453 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.5 | -33.1 | -179.2 | -70.6 | -102.7 | 86.5 | 176 | 4.2 | 113.4 | Y317 E318 K323 | Y317-R321 HydrophobicContact CD1-CG 4.06Å; Y317-R321 HydrophobicContact CE1-CG 3.69Å; Y317-R321 HydrophobicContact CE2-CG 4.27Å; Y317-R321 HydrophobicContact CG-CG 4.49Å; Y317-R321 WeakPolarHBondContact O-CB 3.22Å; Y317-R321 WeakPolarHBondContact O-CG 3.42Å; Y317-R321 PolarHBondContact O-N 3.42Å; E318-R321 PolarHBondContact O-N 2.8Å; R321-K323 VanDerWaalsContact C-N 3.3Å; R321-K323 PolarHBondContact O-N 3.05Å |
| 322 | R | 71.7 | Confident | 73.2 | Confident | 167 Ų | 167 | 112.1 Ų | 112.1 | 63% | 0.63 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -76.4 | -7.9 | 178.7 | -72.5 | -178.3 | -175.3 | 125.8 | 12 | 114.4 | E318 Y320 | E318-R322 WeakPolarHBondContact O-CB 3.35Å; E318-R322 WeakPolarHBondContact O-CG 2.96Å; E318-R322 PolarHBondContact O-N 2.95Å; E318-R322 IonicContact OE1-NH2 3.82Å; E318-R322 IonicContact OE2-CZ 3.18Å; E318-R322 IonicContact OE2-NH1 2.89Å; E318-R322 PolarHBondContact OE2-NH1 3.4Å; E318-R322 IonicContact OE2-NH2 2.71Å; E318-R322 PolarHBondContact OE2-NH2 3.46Å; Y320-R322 PolarHBondContact O-N 3.19Å |
| 323 | K | 62.1 | Low | 72.1 | Confident | 151 Ų | 151 | 111.1 Ų | 111.1 | 66% | 0.657 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -86.4 | -33.7 | 173.6 | -80.3 | 176 | 170.5 | 171.1 | 0 | 113.6 | Y320 R321 T326 | Y320-K323 PolarHBondContact O-N 3.28Å; R321-K323 VanDerWaalsContact C-N 3.3Å; R321-K323 PolarHBondContact O-N 3.05Å; K323-T326 PolarHBondContact O-OG1 2.95Å |
| 324 | D | 62.9 | Low | 70.8 | Confident | 70 Ų | 70 | 109.8 Ų | 109.8 | 37% | 0.374 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -79.5 | -36.1 | -177.3 | -57 | -27.9 | 0 | 0 | 0 | 112.4 | T326 Q327 | D324-T326 VanDerWaalsContact C-N 3.26Å; D324-T326 PolarHBondContact O-N 2.82Å; D324-Q327 PolarHBondContact O-N 3.18Å; D324-Q327 VanDerWaalsContact O-N 3.11Å |
| 325 | Y | 58.1 | Low | 69.7 | Low | 162 Ų | 162 | 113.7 Ų | 113.7 | 64% | 0.635 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -59.1 | -37.2 | -176.9 | -110 | -84.5 | 0 | 0 | 0 | 113.1 | Q327 D329 | Y325-Q327 VanDerWaalsContact C-N 3.34Å; Y325-Q327 PolarHBondContact O-N 3.43Å; Y325-D329 PolarHBondContact O-N 3.06Å |
| 326 | T | 57.2 | Low | 68.4 | Low | 56 Ų | 56 | 118.5 Ų | 118.5 | 34% | 0.344 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.6 | -35 | 177.3 | 29.6 | 0 | 0 | 0 | 0 | 113.3 | K323 D324 Y330 | K323-T326 PolarHBondContact O-OG1 2.95Å; D324-T326 VanDerWaalsContact C-N 3.26Å; D324-T326 PolarHBondContact O-N 2.82Å; T326-Y330 VanDerWaalsContact CB-CE2 3.49Å; T326-Y330 HydrophobicContact CG2-CD2 4.5Å; T326-Y330 HydrophobicContact CG2-CE2 3.73Å; T326-Y330 WeakPolarHBondContact O-CB 3.3Å; T326-Y330 WeakPolarHBondContact O-CD2 3.26Å; T326-Y330 PolarHBondContact O-N 3.28Å |
| 327 | Q | 57.1 | Low | 67 | Low | 150 Ų | 150 | 121.4 Ų | 121.4 | 70% | 0.701 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -76.2 | -35.2 | -170.1 | -157.3 | 173.1 | 22.6 | 0 | 0 | 112.8 | D324 Y325 L331 | D324-Q327 PolarHBondContact O-N 3.18Å; D324-Q327 VanDerWaalsContact O-N 3.11Å; Y325-Q327 VanDerWaalsContact C-N 3.34Å; Y325-Q327 PolarHBondContact O-N 3.43Å; Q327-L331 VanDerWaalsContact O-CB 3.26Å; Q327-L331 WeakPolarHBondContact O-CB 3.42Å; Q327-L331 PolarHBondContact O-N 3.32Å |
| 328 | V | 62.2 | Low | 65.6 | Low | 91 Ų | 91 | 122.4 Ų | 122.4 | 55% | 0.552 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -73 | -41 | 174.9 | -173.1 | 0 | 0 | 0 | 0 | 110.7 | L331 I332 | V328-L331 PolarHBondContact O-N 3.43Å; V328-I332 HydrophobicContact CG1-CD1 4.01Å; V328-I332 WeakPolarHBondContact O-CB 3.21Å; V328-I332 WeakPolarHBondContact O-CG1 3.43Å; V328-I332 PolarHBondContact O-N 3.39Å |
| 329 | D | 69 | Low | 64.3 | Low | 81 Ų | 81 | 123.4 Ų | 123.4 | 43% | 0.433 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -68.4 | -35.2 | 176 | -72.2 | -21.7 | 0 | 0 | 0 | 112.2 | Y325 N333 | Y325-D329 PolarHBondContact O-N 3.06Å; D329-N333 VanDerWaalsContact O-CB 3.3Å; D329-N333 WeakPolarHBondContact O-CB 3.48Å; D329-N333 PolarHBondContact O-N 3.49Å; D329-N333 PolarHBondContact O-ND2 3.39Å |
| 330 | Y | 61.8 | Low | 63.4 | Low | 150 Ų | 150 | 123.6 Ų | 123.6 | 59% | 0.588 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69.4 | -34 | 171.7 | -69.9 | -39.3 | 0 | 0 | 0 | 112.4 | T326 G334 | T326-Y330 VanDerWaalsContact CB-CE2 3.49Å; T326-Y330 HydrophobicContact CG2-CD2 4.5Å; T326-Y330 HydrophobicContact CG2-CE2 3.73Å; T326-Y330 WeakPolarHBondContact O-CB 3.3Å; T326-Y330 WeakPolarHBondContact O-CD2 3.26Å; T326-Y330 PolarHBondContact O-N 3.28Å; Y330-G334 PolarHBondContact O-N 3.39Å |
| 331 | L | 68 | Low | 61.5 | Low | 142 Ų | 142 | 127 Ų | 127 | 74% | 0.743 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -71.7 | -38.8 | 176.4 | -170.5 | 66.1 | 0 | 0 | 0 | 111.9 | Q327 V328 G334 | Q327-L331 VanDerWaalsContact O-CB 3.26Å; Q327-L331 WeakPolarHBondContact O-CB 3.42Å; Q327-L331 PolarHBondContact O-N 3.32Å; V328-L331 PolarHBondContact O-N 3.43Å; L331-G334 WeakPolarHBondContact O-CA 3.47Å; L331-G334 PolarHBondContact O-N 3.47Å |
| 332 | I | 63 | Low | 60.6 | Low | 131 Ų | 131 | 127.4 Ų | 127.4 | 67% | 0.672 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -70.3 | -36.3 | 174.7 | -72.8 | 172.5 | 0 | 0 | 0 | 111.5 | V328 G334 | V328-I332 HydrophobicContact CG1-CD1 4.01Å; V328-I332 WeakPolarHBondContact O-CB 3.21Å; V328-I332 WeakPolarHBondContact O-CG1 3.43Å; V328-I332 PolarHBondContact O-N 3.39Å; I332-G334 PolarHBondContact O-N 3.08Å |
| 333 | N | 65.8 | Low | 60 | Low | 111 Ų | 111 | 125.3 Ų | 125.3 | 59% | 0.594 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -77.2 | -7.3 | 172.4 | -72.6 | -60.5 | 0 | 0 | 0 | 113.7 | D329 M335 | D329-N333 VanDerWaalsContact O-CB 3.3Å; D329-N333 WeakPolarHBondContact O-CB 3.48Å; D329-N333 PolarHBondContact O-N 3.49Å; D329-N333 PolarHBondContact O-ND2 3.39Å; N333-M335 WeakPolarHBondContact O-CB 3.47Å; N333-M335 PolarHBondContact O-N 3.34Å |
| 334 | G | 61 | Low | 59.9 | Low | 61 Ų | 61 | 123.9 Ų | 123.9 | 63% | 0.629 | 68% | 0.683 | S | S | * | * | | | trans | 62.5 | -4.9 | 152.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | Y330 L331 I332 | Y330-G334 PolarHBondContact O-N 3.39Å; L331-G334 WeakPolarHBondContact O-CA 3.47Å; L331-G334 PolarHBondContact O-N 3.47Å; I332-G334 PolarHBondContact O-N 3.08Å |
| 335 | M | 61 | Low | 59.7 | Low | 141 Ų | 141 | 127.1 Ų | 127.1 | 70% | 0.695 | 70% | 0.701 | S | S | * | * | | | trans | -121.4 | -0.8 | -159.3 | -86.5 | -65.9 | -55.6 | 0 | 0 | 116.8 | N333 | N333-M335 WeakPolarHBondContact O-CB 3.47Å; N333-M335 PolarHBondContact O-N 3.34Å |
| 336 | Y | 56.9 | Low | 59.9 | Low | 203 Ų | 203 | 124.9 Ų | 124.9 | 80% | 0.796 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -119.3 | 3.2 | -162.7 | -84.4 | -76.3 | 0 | 0 | 0 | 118 | | |
| 337 | S | 56.1 | Low | 60 | Low | 123 Ų | 123 | 129.5 Ų | 129.5 | 86% | 0.86 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -118.4 | -5.1 | -178.8 | -57.4 | 0 | 0 | 0 | 0 | 115.5 | | |
| 338 | D | 57.3 | Low | 60.2 | Low | 160 Ų | 160 | 128 Ų | 128 | 86% | 0.856 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -133.5 | 64.3 | -174.1 | -164.9 | 26.7 | 0 | 0 | 0 | 111.5 | | |
| 339 | S | 56.5 | Low | 60.1 | Low | 106 Ų | 106 | 130.8 Ų | 130.8 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -154 | 32.6 | 174.9 | 47.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 340 | G | 61.8 | Low | 59.3 | Low | 72 Ų | 72 | 135 Ų | 135 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | trans | -159.9 | 40.6 | -168 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 341 | V | 42.9 | Very low | 59.1 | Low | 220 Ų | 220 | 133.6 Ų | 133.6 | 100% | 1.333 | 79% | 0.787 | S | S | * | * | | | trans | -152.3 | 0 | 147.3 | -86 | 0 | 0 | 0 | 0 | 110.2 | | |