| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.7 | Very low | 43.6 | Very low | 243 Ų | 243 | 143.9 Ų | 143.9 | 100% | 1.197 | 86% | 0.855 | S | S | * | * | 0 | 103 | 0 | -70.7 | 167.4 | 113.7 | 0 | 0 | 107.7 | |||||
| 2 | N | 47.7 | Very low | 43.2 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 86% | 0.861 | 86% | 0.857 | S | S | * | * | trans | 36.3 | 103.7 | 163.5 | -55.2 | -0.2 | 0 | 0 | 0 | 120.5 | ||||
| 3 | S | 40.2 | Very low | 43.2 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 76% | 0.762 | 85% | 0.853 | S | S | * | * | trans | -68.8 | 139.1 | 154.7 | 45.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 4 | C | 41.8 | Very low | 43.1 | Very low | 129 Ų | 129 | 150.6 Ų | 150.6 | 87% | 0.872 | 84% | 0.844 | S | S | * | * | trans | -126.4 | 109.1 | 160.2 | -77.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 5 | T | 47.3 | Very low | 42.8 | Very low | 129 Ų | 129 | 151.7 Ų | 151.7 | 79% | 0.791 | 83% | 0.832 | S | S | * | * | trans | -110.8 | 108.7 | 165 | 49.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 6 | E | 46.8 | Very low | 43.1 | Very low | 200 Ų | 200 | 148.1 Ų | 148.1 | 94% | 0.935 | 83% | 0.828 | S | S | * | * | trans | -108.1 | 93.4 | 166.9 | -95.5 | -178.2 | 151.1 | 0 | 0 | 108.9 | ||||
| 7 | T | 46.7 | Very low | 43.4 | Very low | 136 Ų | 136 | 150.8 Ų | 150.8 | 83% | 0.834 | 83% | 0.825 | S | S | * | * | trans | -86.1 | 114.3 | 154.6 | 31.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 8 | D | 43.7 | Very low | 43.5 | Very low | 150 Ų | 150 | 150.7 Ų | 150.7 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | trans | -133.5 | 100.9 | 157.1 | -145.2 | -7.5 | 0 | 0 | 0 | 109.3 | ||||
| 9 | C | 36.4 | Very low | 44.3 | Very low | 139 Ų | 139 | 149.8 Ų | 149.8 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | trans | -138.5 | 69.6 | 171.7 | -121.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 10 | S | 45.1 | Very low | 44.1 | Very low | 103 Ų | 103 | 150.4 Ų | 150.4 | 72% | 0.72 | 82% | 0.823 | S | S | * | * | trans | -93.5 | 125.1 | 176.9 | -172.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 11 | A | 43.3 | Very low | 44.1 | Very low | 84 Ų | 84 | 146.9 Ų | 146.9 | 69% | 0.694 | 82% | 0.822 | S | S | * | * | trans | 69.2 | 96.1 | 144.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 12 | F | 38.6 | Very low | 44.4 | Very low | 199 Ų | 199 | 141 Ų | 141 | 87% | 0.873 | 81% | 0.805 | S | S | * | * | -155.5 | 108.2 | 123.6 | -146.6 | -102.5 | 0 | 0 | 0 | 110.9 | |||||
| 13 | T | 42.8 | Very low | 44 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -147.4 | 142.5 | 166.1 | -65 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 14 | R | 42.5 | Very low | 44.1 | Very low | 195 Ų | 195 | 142.7 Ų | 142.7 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | 105.6 | 115.8 | -176.2 | -61.6 | -166.8 | -89.7 | -167 | -3.9 | 110.6 | ||||
| 15 | Y | 38.2 | Very low | 43.9 | Very low | 167 Ų | 167 | 140.5 Ų | 140.5 | 66% | 0.655 | 80% | 0.801 | S | S | * | * | cis | -153.9 | 150.5 | 40 | -93.7 | -89.8 | 0 | 0 | 0 | 112.1 | Y17 | Y15-Y17 AromaticContact CD1-CD2 3.79Å; Y15-Y17 HydrophobicContact CD1-CD2 3.79Å; Y15-Y17 AromaticContact CD1-CE2 3.36Å; Y15-Y17 HydrophobicContact CD1-CE2 3.36Å; Y15-Y17 HydrophobicContact CE1-CD2 4.15Å; Y15-Y17 AromaticContact CE1-CE2 3.25Å; Y15-Y17 HydrophobicContact CE1-CE2 3.25Å; Y15-Y17 AromaticContact CE1-CZ 3.75Å | ||
| 16 | A | 47.7 | Very low | 43.8 | Very low | 94 Ų | 94 | 143.5 Ų | 143.5 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | trans | -152.1 | 114.5 | 147 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 17 | Y | 48 | Very low | 43.2 | Very low | 195 Ų | 195 | 140.6 Ų | 140.6 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | trans | -92.8 | 138.5 | 163.6 | -70.9 | -77.7 | 0 | 0 | 0 | 108.1 | Y15 | Y15-Y17 AromaticContact CD1-CD2 3.79Å; Y15-Y17 HydrophobicContact CD1-CD2 3.79Å; Y15-Y17 AromaticContact CD1-CE2 3.36Å; Y15-Y17 HydrophobicContact CD1-CE2 3.36Å; Y15-Y17 HydrophobicContact CE1-CD2 4.15Å; Y15-Y17 AromaticContact CE1-CE2 3.25Å; Y15-Y17 HydrophobicContact CE1-CE2 3.25Å; Y15-Y17 AromaticContact CE1-CZ 3.75Å | ||
| 18 | I | 44.6 | Very low | 43.2 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | -121.7 | 117.8 | 171.6 | -60.8 | 175.2 | 0 | 0 | 0 | 107.2 | ||||
| 19 | T | 60.5 | Low | 43.2 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -95.3 | 125.4 | 167.5 | 54.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 20 | N | 39 | Very low | 43.6 | Very low | 161 Ų | 161 | 140 Ų | 140 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -79 | 134 | 170.5 | -69.6 | -52.6 | 0 | 0 | 0 | 109.6 | ||||
| 21 | G | 44.4 | Very low | 43.5 | Very low | 77 Ų | 77 | 142.2 Ų | 142.2 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | -139.7 | 126.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 22 | S | 46.9 | Very low | 43.3 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -79 | 166.6 | -165.6 | -52.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 23 | D | 38.9 | Very low | 43.6 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | -49.9 | 141.6 | -179.8 | -51 | -87.5 | 0 | 0 | 0 | 117.3 | ||||
| 24 | V | 43.3 | Very low | 43.2 | Very low | 148 Ų | 148 | 142.7 Ų | 142.7 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | trans | -146.4 | 115.1 | 144.5 | 173.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 25 | A | 37.5 | Very low | 43.5 | Very low | 82 Ų | 82 | 139.4 Ų | 139.4 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | trans | -84.2 | 152.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 26 | K | 45.6 | Very low | 43.7 | Very low | 193 Ų | 193 | 139.5 Ų | 139.5 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | 177.2 | 106.9 | 139.4 | -95.6 | 159.8 | -170.4 | -174.3 | 0 | 112.1 | ||||
| 27 | N | 34.4 | Very low | 43.5 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | 53.7 | 136.2 | 123.2 | -62.7 | 2 | 0 | 0 | 0 | 123 | |||||
| 28 | T | 45.6 | Very low | 43.2 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | 96.2 | 128.4 | 137.2 | 49.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 29 | S | 43.8 | Very low | 43.4 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | 68.1 | 108.2 | 149.8 | 61 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 30 | E | 45.6 | Very low | 42.5 | Very low | 185 Ų | 185 | 135.2 Ų | 135.2 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | 59.9 | 139 | 124.6 | -59.9 | -173.2 | 145.1 | 0 | 0 | 120 | |||||
| 31 | D | 42.6 | Very low | 42.5 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | 83.7 | 99.2 | 169.2 | -85.9 | -43.5 | 0 | 0 | 0 | 120.4 | ||||
| 32 | S | 39.5 | Very low | 43 | Very low | 106 Ų | 106 | 140 Ų | 140 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | 68.2 | 66.5 | 119.9 | -58.4 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 33 | K | 44.6 | Very low | 42.7 | Very low | 206 Ų | 206 | 142.9 Ų | 142.9 | 90% | 0.896 | 78% | 0.782 | S | S | * | * | trans | -162.9 | 139.6 | 147.7 | -149.6 | 146.2 | 178.9 | 175.5 | 0 | 112.5 | ||||
| 34 | C | 34.7 | Very low | 42.7 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | trans | -45.7 | 136.3 | -170.7 | -51.2 | 0 | 0 | 0 | 0 | 114.8 | I36 | C34-I36 PolarHBondContact O-N 3.34Š| ||
| 35 | P | 48.9 | Very low | 42.8 | Very low | 126 Ų | 126 | 142 Ų | 142 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -75.5 | 113.9 | 176.2 | 30.7 | -29.6 | 0 | 0 | 0 | 108.9 | G37 | P35-G37 PolarHBondContact O-N 3.33Š| ||
| 36 | I | 42.1 | Very low | 43 | Very low | 169 Ų | 169 | 142.6 Ų | 142.6 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | trans | -65.8 | 89.7 | 158.4 | -61.1 | 172.9 | 0 | 0 | 0 | 104.9 | C34 E38 | C34-I36 PolarHBondContact O-N 3.34Å; I36-E38 PolarHBondContact O-N 2.89Å | ||
| 37 | G | 42.6 | Very low | 43.2 | Very low | 58 Ų | 58 | 138.1 Ų | 138.1 | 60% | 0.598 | 75% | 0.754 | S | S | * | * | trans | -60.3 | 117.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | P35 V39 | P35-G37 PolarHBondContact O-N 3.33Å; G37-V39 PolarHBondContact O-N 2.89Å; G37-V39 VanDerWaalsContact O-N 3.12Å | ||
| 38 | E | 42.8 | Very low | 43.2 | Very low | 191 Ų | 191 | 142 Ų | 142 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | trans | -52.5 | 116.2 | 169.4 | -76.9 | -179.1 | 140.5 | 0 | 0 | 109.4 | I36 N40 | I36-E38 PolarHBondContact O-N 2.89Å; E38-N40 PolarHBondContact O-N 3.02Å | ||
| 39 | V | 48.2 | Very low | 43.4 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 67% | 0.667 | 76% | 0.756 | S | S | * | * | trans | -67.3 | 101.2 | 176.3 | -129.3 | 0 | 0 | 0 | 0 | 107.8 | G37 W41 | G37-V39 PolarHBondContact O-N 2.89Å; G37-V39 VanDerWaalsContact O-N 3.12Å; V39-W41 PolarHBondContact O-N 3.03Å | ||
| 40 | N | 42.3 | Very low | 43.2 | Very low | 122 Ų | 122 | 146.2 Ų | 146.2 | 65% | 0.652 | 76% | 0.763 | S | S | * | * | trans | -71.7 | 106 | 172.9 | -175.8 | -22.2 | 0 | 0 | 0 | 109.2 | E38 T42 | E38-N40 PolarHBondContact O-N 3.02Å; N40-T42 PolarHBondContact O-N 3.29Å; N40-T42 VanDerWaalsContact O-N 3.16Å; N40-T42 WeakPolarHBondContact OD1-CB 3.36Å; N40-T42 PolarHBondContact OD1-N 3.07Å; N40-T42 PolarHBondContact OD1-OG1 3.21Å | ||
| 41 | W | 38.5 | Very low | 43.3 | Very low | 228 Ų | 228 | 143.5 Ų | 143.5 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | trans | -76 | 10.6 | -179.1 | -66.9 | 97.8 | 0 | 0 | 0 | 114.6 | V39 Q43 | V39-W41 PolarHBondContact O-N 3.03Å; W41-Q43 VanDerWaalsContact C-N 3.33Å; W41-Q43 PolarHBondContact O-N 2.95Å; W41-Q43 VanDerWaalsContact O-N 3.14Å | ||
| 42 | T | 54.4 | Low | 42.9 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | trans | -86.8 | 71 | 172.4 | 56.1 | 0 | 0 | 0 | 0 | 111.9 | N40 Q44 | N40-T42 PolarHBondContact O-N 3.29Å; N40-T42 VanDerWaalsContact O-N 3.16Å; N40-T42 WeakPolarHBondContact OD1-CB 3.36Å; N40-T42 PolarHBondContact OD1-N 3.07Å; N40-T42 PolarHBondContact OD1-OG1 3.21Å; T42-Q44 VanDerWaalsContact C-N 3.31Å; T42-Q44 PolarHBondContact O-N 3.17Å | ||
| 43 | Q | 41.6 | Very low | 43.2 | Very low | 182 Ų | 182 | 144.6 Ų | 144.6 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | trans | -77.4 | 92.9 | 159.3 | -101 | 174.7 | 3.4 | 0 | 0 | 109.7 | W41 V45 | W41-Q43 VanDerWaalsContact C-N 3.33Å; W41-Q43 PolarHBondContact O-N 2.95Å; W41-Q43 VanDerWaalsContact O-N 3.14Å; Q43-V45 VanDerWaalsContact C-N 3.33Å; Q43-V45 PolarHBondContact O-N 3.3Å | ||
| 44 | Q | 38.6 | Very low | 42.9 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | trans | -52.1 | 92.4 | 157.3 | -176.3 | 172.7 | 55 | 0 | 0 | 109.3 | T42 V46 | T42-Q44 VanDerWaalsContact C-N 3.31Å; T42-Q44 PolarHBondContact O-N 3.17Å; Q44-V46 HydrophobicContact CG-CG2 3.82Å; Q44-V46 PolarHBondContact O-N 2.93Å | ||
| 45 | V | 44.2 | Very low | 43.3 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 71% | 0.709 | 76% | 0.759 | S | S | * | * | trans | -78.4 | 82.5 | 168.4 | 179.1 | 0 | 0 | 0 | 0 | 107.5 | Q43 V47 | Q43-V45 VanDerWaalsContact C-N 3.33Å; Q43-V45 PolarHBondContact O-N 3.3Å; V45-V47 VanDerWaalsContact C-N 3.35Å; V45-V47 HydrophobicContact CG1-CB 4.45Å; V45-V47 HydrophobicContact CG1-CG2 3.45Å; V45-V47 VanDerWaalsContact CG1-CG2 3.45Å; V45-V47 PolarHBondContact O-N 3.47Å | ||
| 46 | V | 43.2 | Very low | 43 | Very low | 94 Ų | 94 | 142.1 Ų | 142.1 | 57% | 0.57 | 75% | 0.75 | S | S | * | * | trans | -78.5 | 92.1 | 160.4 | 167.2 | 0 | 0 | 0 | 0 | 106.4 | Q44 R48 | Q44-V46 HydrophobicContact CG-CG2 3.82Å; Q44-V46 PolarHBondContact O-N 2.93Å; V46-R48 HydrophobicContact CG1-CG 3.96Å; V46-R48 PolarHBondContact O-N 3.21Å | ||
| 47 | V | 48.6 | Very low | 43.2 | Very low | 98 Ų | 98 | 141 Ų | 141 | 59% | 0.594 | 75% | 0.745 | S | S | * | * | trans | -86.9 | 89.4 | 163.2 | 170.3 | 0 | 0 | 0 | 0 | 105.9 | V45 H49 | V45-V47 VanDerWaalsContact C-N 3.35Å; V45-V47 HydrophobicContact CG1-CB 4.45Å; V45-V47 HydrophobicContact CG1-CG2 3.45Å; V45-V47 VanDerWaalsContact CG1-CG2 3.45Å; V45-V47 PolarHBondContact O-N 3.47Å; V47-H49 WeakPolarHBondContact CG1-CD2 3.45Å; V47-H49 WeakPolarHBondContact CG1-NE2 3.32Å; V47-H49 PolarHBondContact O-N 2.93Å | ||
| 48 | R | 34.4 | Very low | 43.4 | Very low | 221 Ų | 221 | 146 Ų | 146 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | trans | -69.3 | 103.5 | 163.2 | -89.9 | -170.4 | 171 | 105 | -2.7 | 107.2 | V46 | V46-R48 HydrophobicContact CG1-CG 3.96Å; V46-R48 PolarHBondContact O-N 3.21Å | ||
| 49 | H | 50.6 | Low | 43.6 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | trans | -104.7 | 108.5 | 160.6 | -83.1 | -128.7 | 0 | 0 | 0 | 108.3 | V47 | V47-H49 WeakPolarHBondContact CG1-CD2 3.45Å; V47-H49 WeakPolarHBondContact CG1-NE2 3.32Å; V47-H49 PolarHBondContact O-N 2.93Å | ||
| 50 | N | 39.4 | Very low | 43.8 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | trans | -83.6 | 99.1 | 170 | 170.9 | 30.6 | 0 | 0 | 0 | 108.4 | ||||
| 51 | N | 46.8 | Very low | 43.6 | Very low | 127 Ų | 127 | 150 Ų | 150 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 165.3 | 114.3 | 148.3 | 48.1 | 3.7 | 0 | 0 | 0 | 110.5 | S53 | N51-S53 PolarHBondContact O-N 3.31Š|
| 52 | N | 35.8 | Very low | 43.8 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | trans | 19.4 | 87.5 | 156.9 | -74.2 | 1 | 0 | 0 | 0 | 117.7 | ||||
| 53 | S | 44.3 | Very low | 43.4 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -142.9 | 87.4 | 148.2 | -81.3 | 0 | 0 | 0 | 0 | 108.6 | N51 L55 | N51-S53 PolarHBondContact O-N 3.31Å; S53-L55 PolarHBondContact O-N 2.9Å | ||
| 54 | T | 39.2 | Very low | 43.6 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | trans | -45.2 | 101.2 | 161.8 | -56.1 | 0 | 0 | 0 | 0 | 108.9 | T56 | T54-T56 VanDerWaalsContact C-N 3.26Å; T54-T56 HydrophobicContact CG2-CG2 3.89Å; T54-T56 PolarHBondContact O-N 2.86Å | ||
| 55 | L | 43.5 | Very low | 43.9 | Very low | 169 Ų | 169 | 140.1 Ų | 140.1 | 89% | 0.885 | 76% | 0.764 | S | S | * | * | trans | -70.7 | 95 | 157.6 | -92.1 | 176 | 0 | 0 | 0 | 106.1 | S53 L57 | S53-L55 PolarHBondContact O-N 2.9Å; L55-L57 PolarHBondContact O-N 3.34Å | ||
| 56 | T | 41.8 | Very low | 44 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 64% | 0.638 | 77% | 0.767 | S | S | * | * | trans | -60.9 | 94.6 | 161.7 | 46.6 | 0 | 0 | 0 | 0 | 107.5 | T54 L58 | T54-T56 VanDerWaalsContact C-N 3.26Å; T54-T56 HydrophobicContact CG2-CG2 3.89Å; T54-T56 PolarHBondContact O-N 2.86Å; T56-L58 VanDerWaalsContact C-N 3.31Å; T56-L58 PolarHBondContact O-N 3.42Å | ||
| 57 | L | 45.5 | Very low | 44.2 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | -58.9 | 99.5 | 156.2 | -173.9 | 76.1 | 0 | 0 | 0 | 105.9 | L55 E59 | L55-L57 PolarHBondContact O-N 3.34Å; L57-E59 HydrophobicContact CD2-CG 4.09Å; L57-E59 HydrophobicContact CG-CG 4.39Å; L57-E59 PolarHBondContact O-N 2.95Å | ||
| 58 | L | 47.4 | Very low | 44.2 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -68.6 | 86.7 | 169.8 | -76.3 | 158.2 | 0 | 0 | 0 | 107.2 | T56 | T56-L58 VanDerWaalsContact C-N 3.31Å; T56-L58 PolarHBondContact O-N 3.42Å | ||
| 59 | E | 46.6 | Very low | 44.7 | Very low | 163 Ų | 163 | 135.8 Ų | 135.8 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 133.2 | 163.9 | -84.3 | -168.1 | 114.7 | 0 | 0 | 109.8 | L57 K61 | L57-E59 HydrophobicContact CD2-CG 4.09Å; L57-E59 HydrophobicContact CG-CG 4.39Å; L57-E59 PolarHBondContact O-N 2.95Å; E59-K61 PolarHBondContact O-N 3.49Å |
| 60 | P | 54 | Low | 44.5 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 116.8 | 168.7 | 28 | -28.6 | 0 | 0 | 0 | 109.9 | G62 | P60-G62 PolarHBondContact O-N 3.13Š|
| 61 | K | 37.8 | Very low | 45 | Very low | 217 Ų | 217 | 130.5 Ų | 130.5 | 94% | 0.943 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -57 | 118.5 | 172.4 | -121.5 | -176.2 | 175.7 | 177.8 | 0 | 110.9 | E59 | E59-K61 PolarHBondContact O-N 3.49Š|
| 62 | G | 42.7 | Very low | 44.9 | Very low | 73 Ų | 73 | 134 Ų | 134 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | -135.1 | 98.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | P60 | P60-G62 PolarHBondContact O-N 3.13Š| ||
| 63 | S | 44.5 | Very low | 45.3 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -60.3 | 141.8 | 171.6 | 45.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 64 | N | 47.6 | Very low | 45.7 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | 172.8 | 118.7 | 127 | -74.2 | -13.8 | 0 | 0 | 0 | 110.8 | |||||
| 65 | E | 43.8 | Very low | 46 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | 71.6 | 112.9 | 139 | -66.5 | -122.6 | 100.6 | 0 | 0 | 123 | ||||
| 66 | L | 47.1 | Very low | 46.4 | Very low | 147 Ų | 147 | 137.7 Ų | 137.7 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | 82.3 | 120.5 | 127.5 | -63.2 | 166.9 | 0 | 0 | 0 | 120.8 | |||||
| 67 | A | 45.9 | Very low | 46.9 | Very low | 90 Ų | 90 | 141.6 Ų | 141.6 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | trans | -72.5 | -162.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 68 | P | 49.5 | Very low | 47.1 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | cis | -143.8 | 163.5 | 0.8 | 35.4 | -12.7 | 0 | 0 | 0 | 118.1 | ||||
| 69 | G | 44.1 | Very low | 47.6 | Very low | 80 Ų | 80 | 137.3 Ų | 137.3 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | 53.5 | 121.1 | 129.9 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 70 | S | 48.1 | Very low | 48.1 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -168.3 | 101.6 | 142.1 | -171.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 71 | A | 49.6 | Very low | 48.2 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | 86.5 | 100.2 | 80.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 72 | Y | 43.4 | Very low | 48.8 | Very low | 199 Ų | 199 | 128 Ų | 128 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | trans | 48.6 | 117.2 | 133.3 | -81.4 | -102.6 | 0 | 0 | 0 | 122.8 | ||||
| 73 | R | 45.8 | Very low | 49.3 | Very low | 196 Ų | 196 | 133 Ų | 133 | 74% | 0.74 | 79% | 0.792 | S | S | * | * | 63.1 | 133 | 129.8 | -66.3 | -167.1 | -161.8 | -94.3 | 6.4 | 121.6 | |||||
| 74 | K | 52.6 | Low | 50.2 | Low | 206 Ų | 206 | 136.8 Ų | 136.8 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | -172.5 | 132.3 | 108.9 | -111.8 | 170.2 | 178.1 | 170.2 | 0 | 113.3 | |||||
| 75 | D | 44.2 | Very low | 50.9 | Low | 141 Ų | 141 | 138.8 Ų | 138.8 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | -65.3 | 144.5 | 163.9 | -50.1 | -77.2 | 0 | 0 | 0 | 111 | ||||
| 76 | A | 52.2 | Low | 51.6 | Low | 101 Ų | 101 | 137.2 Ų | 137.2 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -163.9 | 140.4 | 153.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 77 | H | 52.4 | Low | 52.3 | Low | 187 Ų | 187 | 138.9 Ų | 138.9 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | trans | -78.4 | 156.6 | -170.3 | -68.3 | -95 | 0 | 0 | 0 | 115.2 | ||||
| 78 | S | 49.9 | Very low | 53 | Low | 114 Ų | 114 | 146 Ų | 146 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | 56 | 115 | 140.9 | -149.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 79 | S | 57.8 | Low | 53.4 | Low | 103 Ų | 103 | 147.4 Ų | 147.4 | 72% | 0.72 | 82% | 0.818 | S | S | * | * | 152.1 | 124.8 | 116.9 | 59.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 80 | S | 56.5 | Low | 54.3 | Low | 120 Ų | 120 | 153.2 Ų | 153.2 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | trans | 28.4 | 110.6 | 147.6 | 54.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 81 | G | 56.9 | Low | 55 | Low | 74 Ų | 74 | 156.9 Ų | 156.9 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | trans | 176.5 | 151.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 82 | P | 49.9 | Very low | 55.9 | Low | 121 Ų | 121 | 162.3 Ų | 162.3 | 79% | 0.786 | 83% | 0.829 | S | S | * | * | trans | -89.5 | 150.8 | -132.7 | 32.7 | -35.7 | 0 | 0 | 0 | 117.5 | M84 | P82-M84 PolarHBondContact O-N 3.07Š| ||
| 83 | L | 53.8 | Low | 57.2 | Low | 177 Ų | 177 | 161.4 Ų | 161.4 | 93% | 0.927 | 83% | 0.834 | S | S | * | * | trans | 0.9 | 92.3 | 157.6 | -160.8 | 68.4 | 0 | 0 | 0 | 115.7 | K85 | L83-K85 PolarHBondContact O-N 3.39Š| ||
| 84 | M | 62.4 | Low | 58.8 | Low | 183 Ų | 183 | 155.7 Ų | 155.7 | 90% | 0.901 | 82% | 0.817 | S | S | * | * | trans | -74 | 125.7 | 175.5 | -61.9 | -150.5 | 85.7 | 0 | 0 | 111 | P82 | P82-M84 PolarHBondContact O-N 3.07Š| ||
| 85 | K | 63.8 | Low | 60.5 | Low | 188 Ų | 188 | 149.7 Ų | 149.7 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | trans | -53.4 | 145.4 | 173.9 | -62 | 170.2 | -178.4 | 175.6 | 0 | 110.4 | L83 Q87 | L83-K85 PolarHBondContact O-N 3.39Å; K85-Q87 PolarHBondContact O-N 3.49Å | ||
| 86 | P | 57.9 | Low | 62.6 | Low | 127 Ų | 127 | 147.6 Ų | 147.6 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -62.4 | 110.3 | 176.8 | 25.6 | -30.6 | 0 | 0 | 0 | 108.2 | R88 | P86-R88 PolarHBondContact O-N 3.02Š| ||
| 87 | Q | 61 | Low | 64.5 | Low | 182 Ų | 182 | 149.1 Ų | 149.1 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | -57.5 | 109.9 | 168.6 | -88 | -172 | -58.5 | 0 | 0 | 106.7 | K85 N89 | K85-Q87 PolarHBondContact O-N 3.49Å; Q87-N89 PolarHBondContact O-N 3Å | ||
| 88 | R | 60.9 | Low | 66.5 | Low | 238 Ų | 238 | 144.5 Ų | 144.5 | 90% | 0.898 | 76% | 0.76 | S | S | * | * | trans | -46.5 | 104.7 | 164.9 | -87.3 | 173.7 | 142.4 | 178 | -5.8 | 107 | P86 K90 | P86-R88 PolarHBondContact O-N 3.02Å; R88-K90 VanDerWaalsContact C-N 3.35Å; R88-K90 PolarHBondContact O-N 3.48Å | ||
| 89 | N | 58.9 | Low | 68.5 | Low | 152 Ų | 152 | 142.4 Ų | 142.4 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | trans | -53.1 | 103.8 | 174.2 | -84.2 | -20.3 | 0 | 0 | 0 | 106.9 | Q87 K91 | Q87-N89 PolarHBondContact O-N 3Å; N89-K91 PolarHBondContact O-N 3.02Å | ||
| 90 | K | 61.9 | Low | 70.2 | Confident | 202 Ų | 202 | 145.6 Ų | 145.6 | 88% | 0.878 | 74% | 0.736 | S | S | * | * | trans | -54.2 | 107.6 | 168.5 | -75.8 | 178.8 | 177.7 | 176 | 0 | 104.3 | R88 K92 | R88-K90 VanDerWaalsContact C-N 3.35Å; R88-K90 PolarHBondContact O-N 3.48Å; K90-K92 VanDerWaalsContact C-N 3.25Å; K90-K92 PolarHBondContact O-N 2.97Å | ||
| 91 | K | 64.2 | Low | 72 | Confident | 198 Ų | 198 | 143.1 Ų | 143.1 | 86% | 0.861 | 72% | 0.719 | S | S | * | * | trans | -53 | 98.3 | 172.3 | -71.1 | 177.6 | 177.7 | 177.2 | 0 | 105.5 | N89 M93 | N89-K91 PolarHBondContact O-N 3.02Å; K91-M93 PolarHBondContact O-N 3.22Å | ||
| 92 | K | 67.2 | Low | 73.8 | Confident | 199 Ų | 199 | 143.6 Ų | 143.6 | 87% | 0.865 | 70% | 0.701 | S | S | * | * | trans | -57.8 | 113.6 | 175.8 | -167.2 | 175.7 | -176.6 | -176.8 | 0 | 104 | K90 M94 | K90-K92 VanDerWaalsContact C-N 3.25Å; K90-K92 PolarHBondContact O-N 2.97Å; K92-M94 PolarHBondContact O-N 3.34Å | ||
| 93 | M | 71 | Confident | 75.9 | Confident | 181 Ų | 181 | 145.4 Ų | 145.4 | 89% | 0.892 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 116.5 | 177.7 | -68.2 | -178.2 | 95.4 | 0 | 0 | 105.9 | K91 T95 | K91-M93 PolarHBondContact O-N 3.22Å; M93-T95 PolarHBondContact O-N 2.98Å |
| 94 | M | 79.3 | Confident | 77.9 | Confident | 76 Ų | 76 | 139.6 Ų | 139.6 | 37% | 0.374 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 129.7 | -174.6 | -157.2 | 145.7 | 92.9 | 0 | 0 | 108.1 | K92 E98 L99 Q102 | K92-M94 PolarHBondContact O-N 3.34Å; M94-E98 HydrophobicContact CE-CG 4.48Å; M94-E98 HydrophobicContact CG-CB 3.54Å; M94-E98 HydrophobicContact CG-CG 3.28Å; M94-E98 HydrophobicContact SD-CG 3.75Å; M94-L99 HydrophobicContact CE-CB 3.87Å; M94-L99 HydrophobicContact CE-CD1 3.42Å; M94-L99 VanDerWaalsContact CE-CD1 3.42Å; M94-L99 HydrophobicContact CE-CG 4.24Å; M94-Q102 HydrophobicContact CE-CB 4.27Å; M94-Q102 HydrophobicContact CE-CG 4.13Å; M94-Q102 PolarHBondContact SD-NE2 3.43Å; M94-Q102 PolarHBondContact SD-OE1 2.74Å |
| 95 | T | 88.9 | Confident | 79.5 | Confident | 79 Ų | 79 | 136 Ų | 136 | 49% | 0.485 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 150 | 175.7 | 65.4 | 0 | 0 | 0 | 0 | 108.4 | M93 E97 E98 L99 | M93-T95 PolarHBondContact O-N 2.98Å; T95-E97 PolarHBondContact O-N 2.88Å; T95-E97 VanDerWaalsContact O-N 3.17Å; T95-E98 PolarHBondContact O-N 2.8Å; T95-E98 VanDerWaalsContact O-N 3.07Å; T95-E98 WeakPolarHBondContact OG1-CB 3.44Å; T95-E98 PolarHBondContact OG1-N 2.83Å; T95-L99 PolarHBondContact O-N 2.94Å |
| 96 | P | 88.9 | Confident | 81 | Confident | 98 Ų | 98 | 129.6 Ų | 129.6 | 64% | 0.636 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -57 | -30.6 | 177.1 | 22 | -33.2 | 0 | 0 | 0 | 112.3 | L99 R100 | P96-L99 PolarHBondContact O-N 2.98Å; P96-R100 WeakPolarHBondContact O-CG 3.41Å; P96-R100 PolarHBondContact O-N 3.28Å |
| 97 | E | 92.1 | Very high | 82.9 | Confident | 133 Ų | 133 | 128.2 Ų | 128.2 | 62% | 0.621 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -62.2 | -49.8 | 173.4 | -159.6 | 73.6 | -167.3 | 0 | 0 | 111.9 | T95 L99 R100 S101 | T95-E97 PolarHBondContact O-N 2.88Å; T95-E97 VanDerWaalsContact O-N 3.17Å; E97-L99 VanDerWaalsContact C-N 3.3Å; E97-L99 PolarHBondContact O-N 3.49Å; E97-R100 WeakPolarHBondContact O-CB 3.07Å; E97-R100 PolarHBondContact O-N 3.25Å; E97-R100 VanDerWaalsContact O-N 3.13Å; E97-S101 PolarHBondContact O-N 2.96Å |
| 98 | E | 92.8 | Very high | 84.6 | Confident | 89 Ų | 89 | 123 Ų | 123 | 42% | 0.416 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.8 | -37.4 | 178.7 | -178.6 | 63.1 | -152.9 | 0 | 0 | 111.1 | M94 T95 R100 S101 Q102 | M94-E98 HydrophobicContact CE-CG 4.48Å; M94-E98 HydrophobicContact CG-CB 3.54Å; M94-E98 HydrophobicContact CG-CG 3.28Å; M94-E98 HydrophobicContact SD-CG 3.75Å; T95-E98 PolarHBondContact O-N 2.8Å; T95-E98 VanDerWaalsContact O-N 3.07Å; T95-E98 WeakPolarHBondContact OG1-CB 3.44Å; T95-E98 PolarHBondContact OG1-N 2.83Å; E98-R100 PolarHBondContact O-N 3.49Å; E98-S101 PolarHBondContact O-N 3.39Å; E98-Q102 WeakPolarHBondContact O-CG 3.39Å; E98-Q102 PolarHBondContact O-N 2.89Å; E98-Q102 PolarHBondContact OE1-NE2 3.06Å |
| 99 | L | 92.5 | Very high | 86.4 | Confident | 71 Ų | 71 | 120 Ų | 120 | 37% | 0.372 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.6 | -39.4 | 173.6 | -172.8 | 68.5 | 0 | 0 | 0 | 112.6 | M94 T95 P96 E97 R103 | M94-L99 HydrophobicContact CE-CB 3.87Å; M94-L99 HydrophobicContact CE-CD1 3.42Å; M94-L99 VanDerWaalsContact CE-CD1 3.42Å; M94-L99 HydrophobicContact CE-CG 4.24Å; T95-L99 PolarHBondContact O-N 2.94Å; P96-L99 PolarHBondContact O-N 2.98Å; E97-L99 VanDerWaalsContact C-N 3.3Å; E97-L99 PolarHBondContact O-N 3.49Å; L99-R103 VanDerWaalsContact O-CG 3.27Å; L99-R103 WeakPolarHBondContact O-CG 3.31Å; L99-R103 PolarHBondContact O-N 3.26Å |
| 100 | R | 93.5 | Very high | 88.3 | Confident | 169 Ų | 169 | 116.5 Ų | 116.5 | 64% | 0.638 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.4 | -44.2 | 174.6 | -71.8 | 168.8 | -178.2 | 178.8 | -1.2 | 111.2 | P96 E97 E98 R103 A104 | P96-R100 WeakPolarHBondContact O-CG 3.41Å; P96-R100 PolarHBondContact O-N 3.28Å; E97-R100 WeakPolarHBondContact O-CB 3.07Å; E97-R100 PolarHBondContact O-N 3.25Å; E97-R100 VanDerWaalsContact O-N 3.13Å; E98-R100 PolarHBondContact O-N 3.49Å; R100-R103 PolarHBondContact O-N 3.38Å; R100-A104 PolarHBondContact O-N 3.14Å |
| 101 | S | 93.8 | Very high | 90 | Very high | 68 Ų | 68 | 116 Ų | 116 | 48% | 0.476 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.7 | -46.5 | 176.4 | -176.8 | 0 | 0 | 0 | 0 | 111.8 | E97 E98 R103 A104 L105 | E97-S101 PolarHBondContact O-N 2.96Å; E98-S101 PolarHBondContact O-N 3.39Å; S101-R103 PolarHBondContact O-N 2.98Å; S101-A104 WeakPolarHBondContact O-CB 3.27Å; S101-A104 PolarHBondContact O-N 3.43Å; S101-A104 VanDerWaalsContact O-N 3.14Å; S101-L105 PolarHBondContact O-N 3.49Å |
| 102 | Q | 94.4 | Very high | 91.6 | Very high | 85 Ų | 85 | 112.4 Ų | 112.4 | 40% | 0.397 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 177.6 | -73.7 | -175.9 | 22.3 | 0 | 0 | 113 | M94 E98 L105 A106 | M94-Q102 HydrophobicContact CE-CB 4.27Å; M94-Q102 HydrophobicContact CE-CG 4.13Å; M94-Q102 PolarHBondContact SD-NE2 3.43Å; M94-Q102 PolarHBondContact SD-OE1 2.74Å; E98-Q102 WeakPolarHBondContact O-CG 3.39Å; E98-Q102 PolarHBondContact O-N 2.89Å; E98-Q102 PolarHBondContact OE1-NE2 3.06Å; Q102-L105 PolarHBondContact O-N 3.28Å; Q102-A106 VanDerWaalsContact O-CB 3.31Å; Q102-A106 WeakPolarHBondContact O-CB 3.45Å; Q102-A106 PolarHBondContact O-N 3.4Å |
| 103 | R | 95.5 | Very high | 93.1 | Very high | 159 Ų | 159 | 110.8 Ų | 110.8 | 60% | 0.6 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.8 | -43.9 | 172.2 | -73.4 | 173.6 | -177.7 | -172.5 | 1.5 | 111.3 | L99 R100 S101 A106 N107 | L99-R103 VanDerWaalsContact O-CG 3.27Å; L99-R103 WeakPolarHBondContact O-CG 3.31Å; L99-R103 PolarHBondContact O-N 3.26Å; R100-R103 PolarHBondContact O-N 3.38Å; S101-R103 PolarHBondContact O-N 2.98Å; R103-A106 PolarHBondContact O-N 3Å; R103-N107 WeakPolarHBondContact O-CB 3.49Å; R103-N107 PolarHBondContact O-N 2.99Å; R103-N107 PolarHBondContact O-ND2 2.99Å |
| 104 | A | 95.6 | Very high | 94.4 | Very high | 54 Ų | 54 | 104.6 Ų | 104.6 | 45% | 0.446 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | R100 S101 A106 N107 V108 | R100-A104 PolarHBondContact O-N 3.14Å; S101-A104 WeakPolarHBondContact O-CB 3.27Å; S101-A104 PolarHBondContact O-N 3.43Å; S101-A104 VanDerWaalsContact O-N 3.14Å; A104-A106 PolarHBondContact O-N 3.05Å; A104-N107 WeakPolarHBondContact O-CB 3.43Å; A104-N107 PolarHBondContact O-N 2.82Å; A104-V108 WeakPolarHBondContact O-CG2 3.38Å; A104-V108 PolarHBondContact O-N 2.93Å |
| 105 | L | 95.1 | Very high | 95.3 | Very high | 108 Ų | 108 | 106.3 Ų | 106.3 | 57% | 0.565 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.3 | -41.4 | 176.9 | -177.2 | 61.3 | 0 | 0 | 0 | 112.2 | S101 Q102 N107 V108 R109 | S101-L105 PolarHBondContact O-N 3.49Å; Q102-L105 PolarHBondContact O-N 3.28Å; L105-N107 VanDerWaalsContact C-N 3.34Å; L105-N107 PolarHBondContact O-N 3Å; L105-V108 PolarHBondContact O-N 3.46Å; L105-R109 PolarHBondContact O-N 3.29Å |
| 106 | A | 96.1 | Very high | 95.7 | Very high | 54 Ų | 54 | 106 Ų | 106 | 45% | 0.446 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q102 R103 A104 V108 R109 E110 | Q102-A106 VanDerWaalsContact O-CB 3.31Å; Q102-A106 WeakPolarHBondContact O-CB 3.45Å; Q102-A106 PolarHBondContact O-N 3.4Å; R103-A106 PolarHBondContact O-N 3Å; A104-A106 PolarHBondContact O-N 3.05Å; A106-V108 PolarHBondContact O-N 2.95Å; A106-R109 PolarHBondContact O-N 3.05Å; A106-E110 PolarHBondContact O-N 3.36Å |
| 107 | N | 97.8 | Very high | 96.1 | Very high | 97 Ų | 97 | 105.5 Ų | 105.5 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 175.3 | -71.4 | -18.9 | 0 | 0 | 0 | 112 | R103 A104 L105 E110 R111 | R103-N107 WeakPolarHBondContact O-CB 3.49Å; R103-N107 PolarHBondContact O-N 2.99Å; R103-N107 PolarHBondContact O-ND2 2.99Å; A104-N107 WeakPolarHBondContact O-CB 3.43Å; A104-N107 PolarHBondContact O-N 2.82Å; L105-N107 VanDerWaalsContact C-N 3.34Å; L105-N107 PolarHBondContact O-N 3Å; N107-E110 PolarHBondContact O-N 3.25Å; N107-R111 WeakPolarHBondContact O-CG 3.45Å; N107-R111 PolarHBondContact O-N 2.95Å |
| 108 | V | 97.4 | Very high | 96.4 | Very high | 73 Ų | 73 | 102.4 Ų | 102.4 | 44% | 0.442 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 175.1 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | A104 L105 A106 E110 R111 Q112 | A104-V108 WeakPolarHBondContact O-CG2 3.38Å; A104-V108 PolarHBondContact O-N 2.93Å; L105-V108 PolarHBondContact O-N 3.46Å; A106-V108 PolarHBondContact O-N 2.95Å; V108-E110 PolarHBondContact O-N 3.28Å; V108-R111 PolarHBondContact O-N 2.89Å; V108-Q112 WeakPolarHBondContact O-CG 3.45Å; V108-Q112 PolarHBondContact O-N 3.38Å |
| 109 | R | 97.9 | Very high | 96.6 | Very high | 174 Ų | 174 | 103.1 Ų | 103.1 | 66% | 0.657 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.4 | -43.9 | 177.3 | -175.7 | -177.2 | -72.7 | 169.3 | -3.4 | 112.2 | L105 A106 R111 Q112 R113 | L105-R109 PolarHBondContact O-N 3.29Å; A106-R109 PolarHBondContact O-N 3.05Å; R109-R111 VanDerWaalsContact C-N 3.35Å; R109-Q112 WeakPolarHBondContact O-CB 3.49Å; R109-Q112 PolarHBondContact O-N 3.42Å; R109-R113 PolarHBondContact O-N 2.57Å |
| 110 | E | 97.9 | Very high | 96.9 | Very high | 80 Ų | 80 | 102.7 Ų | 102.7 | 37% | 0.374 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.7 | -35.4 | 179.1 | -177.9 | 55 | -158.4 | 0 | 0 | 112.5 | A106 N107 V108 R113 T114 | A106-E110 PolarHBondContact O-N 3.36Å; N107-E110 PolarHBondContact O-N 3.25Å; V108-E110 PolarHBondContact O-N 3.28Å; E110-R113 PolarHBondContact O-N 2.87Å; E110-R113 IonicContact OE1-CZ 3.33Å; E110-R113 IonicContact OE1-NE 3.13Å; E110-R113 PolarHBondContact OE1-NE 3.44Å; E110-R113 VanDerWaalsContact OE1-NE 3.13Å; E110-R113 IonicContact OE1-NH2 2.7Å; E110-R113 PolarHBondContact OE1-NH2 3.33Å; E110-R113 IonicContact OE2-CZ 3.4Å; E110-R113 IonicContact OE2-NE 2.79Å; E110-R113 PolarHBondContact OE2-NE 3.09Å; E110-R113 IonicContact OE2-NH2 3.45Å; E110-R113 PolarHBondContact OE2-NH2 3.27Å; E110-T114 WeakPolarHBondContact O-CB 3.44Å; E110-T114 PolarHBondContact O-N 3.03Å; E110-T114 PolarHBondContact O-OG1 2.7Å |
| 111 | R | 98.3 | Very high | 97.1 | Very high | 190 Ų | 190 | 96.3 Ų | 96.3 | 72% | 0.717 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.6 | -44.7 | 171 | -73 | 179.7 | -165.5 | -155.3 | 4.4 | 111.4 | N107 V108 R109 T114 Q115 | N107-R111 WeakPolarHBondContact O-CG 3.45Å; N107-R111 PolarHBondContact O-N 2.95Å; V108-R111 PolarHBondContact O-N 2.89Å; R109-R111 VanDerWaalsContact C-N 3.35Å; R111-T114 PolarHBondContact O-N 3.38Å; R111-Q115 WeakPolarHBondContact O-CB 3.33Å; R111-Q115 PolarHBondContact O-N 2.92Å |
| 112 | Q | 98.2 | Very high | 97.2 | Very high | 123 Ų | 123 | 95.1 Ų | 95.1 | 58% | 0.575 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.8 | -43.7 | 176 | -72.4 | 175.4 | -13.6 | 0 | 0 | 112 | V108 R109 T114 Q115 S116 | V108-Q112 WeakPolarHBondContact O-CG 3.45Å; V108-Q112 PolarHBondContact O-N 3.38Å; R109-Q112 WeakPolarHBondContact O-CB 3.49Å; R109-Q112 PolarHBondContact O-N 3.42Å; Q112-T114 VanDerWaalsContact C-N 3.33Å; Q112-T114 PolarHBondContact O-N 2.79Å; Q112-Q115 PolarHBondContact O-N 3.14Å; Q112-S116 PolarHBondContact O-N 3.33Å |
| 113 | R | 98.2 | Very high | 97.3 | Very high | 165 Ų | 165 | 95 Ų | 95 | 62% | 0.623 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -57.8 | -47.1 | 174.3 | -171.2 | -177.6 | 79.1 | 130.5 | 2.8 | 111.4 | R109 E110 Q115 S116 L117 | R109-R113 PolarHBondContact O-N 2.57Å; E110-R113 PolarHBondContact O-N 2.87Å; E110-R113 IonicContact OE1-CZ 3.33Å; E110-R113 IonicContact OE1-NE 3.13Å; E110-R113 PolarHBondContact OE1-NE 3.44Å; E110-R113 VanDerWaalsContact OE1-NE 3.13Å; E110-R113 IonicContact OE1-NH2 2.7Å; E110-R113 PolarHBondContact OE1-NH2 3.33Å; E110-R113 IonicContact OE2-CZ 3.4Å; E110-R113 IonicContact OE2-NE 2.79Å; E110-R113 PolarHBondContact OE2-NE 3.09Å; E110-R113 IonicContact OE2-NH2 3.45Å; E110-R113 PolarHBondContact OE2-NH2 3.27Å; R113-Q115 VanDerWaalsContact C-N 3.35Å; R113-S116 PolarHBondContact O-N 3.28Å; R113-L117 PolarHBondContact O-N 2.99Å; R113-L117 VanDerWaalsContact O-N 3.09Å |
| 114 | T | 97.9 | Very high | 97.4 | Very high | 52 Ų | 52 | 89.6 Ų | 89.6 | 32% | 0.319 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.4 | -36.8 | 179.2 | -59.8 | 0 | 0 | 0 | 0 | 112 | E110 R111 Q112 L117 N118 | E110-T114 WeakPolarHBondContact O-CB 3.44Å; E110-T114 PolarHBondContact O-N 3.03Å; E110-T114 PolarHBondContact O-OG1 2.7Å; R111-T114 PolarHBondContact O-N 3.38Å; Q112-T114 VanDerWaalsContact C-N 3.33Å; Q112-T114 PolarHBondContact O-N 2.79Å; T114-L117 PolarHBondContact O-N 3.13Å; T114-N118 WeakPolarHBondContact O-CB 3.41Å; T114-N118 VanDerWaalsContact O-CG 3.23Å; T114-N118 PolarHBondContact O-N 3.45Å; T114-N118 PolarHBondContact O-ND2 2.92Å |
| 115 | Q | 98 | Very high | 97.3 | Very high | 111 Ų | 111 | 91 Ų | 91 | 52% | 0.519 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.1 | -49.4 | 175.2 | -178.3 | -178.8 | -13.5 | 0 | 0 | 110.9 | R111 Q112 R113 L117 N118 E119 | R111-Q115 WeakPolarHBondContact O-CB 3.33Å; R111-Q115 PolarHBondContact O-N 2.92Å; Q112-Q115 PolarHBondContact O-N 3.14Å; R113-Q115 VanDerWaalsContact C-N 3.35Å; Q115-L117 VanDerWaalsContact C-N 3.28Å; Q115-L117 PolarHBondContact O-N 3.16Å; Q115-N118 PolarHBondContact O-N 2.98Å; Q115-E119 WeakPolarHBondContact CG-OE1 3.4Å; Q115-E119 PolarHBondContact NE2-OE1 2.96Å; Q115-E119 WeakPolarHBondContact O-CG 3.36Å; Q115-E119 PolarHBondContact O-N 3.2Å |
| 116 | S | 97.9 | Very high | 97.2 | Very high | 74 Ų | 74 | 93.8 Ų | 93.8 | 52% | 0.517 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -57.2 | -41.8 | 176.1 | 178.2 | 0 | 0 | 0 | 0 | 112 | Q112 R113 E119 A120 | Q112-S116 PolarHBondContact O-N 3.33Å; R113-S116 PolarHBondContact O-N 3.28Å; S116-E119 PolarHBondContact O-N 2.93Å; S116-A120 PolarHBondContact O-N 2.91Å |
| 117 | L | 97.6 | Very high | 97.1 | Very high | 86 Ų | 86 | 96.1 Ų | 96.1 | 45% | 0.45 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 173.8 | 179.8 | 153.3 | 0 | 0 | 0 | 112 | R113 T114 Q115 E119 A120 F121 | R113-L117 PolarHBondContact O-N 2.99Å; R113-L117 VanDerWaalsContact O-N 3.09Å; T114-L117 PolarHBondContact O-N 3.13Å; Q115-L117 VanDerWaalsContact C-N 3.28Å; Q115-L117 PolarHBondContact O-N 3.16Å; L117-E119 VanDerWaalsContact C-N 3.32Å; L117-E119 PolarHBondContact O-N 3.36Å; L117-A120 WeakPolarHBondContact O-CB 3.45Å; L117-A120 PolarHBondContact O-N 3.34Å; L117-F121 HydrophobicContact CD2-CD2 3.57Å; L117-F121 HydrophobicContact CD2-CE2 3.62Å; L117-F121 HydrophobicContact CG-CD2 4.24Å; L117-F121 HydrophobicContact CG-CE2 4.24Å; L117-F121 WeakPolarHBondContact O-CD2 3.41Å; L117-F121 PolarHBondContact O-N 3.27Å |
| 118 | N | 97.8 | Very high | 96.8 | Very high | 68 Ų | 68 | 91.7 Ų | 91.7 | 36% | 0.364 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.7 | -34.5 | 179.2 | -72.3 | -24.5 | 0 | 0 | 0 | 112.1 | T114 Q115 F121 A122 K138 | T114-N118 WeakPolarHBondContact O-CB 3.41Å; T114-N118 VanDerWaalsContact O-CG 3.23Å; T114-N118 PolarHBondContact O-N 3.45Å; T114-N118 PolarHBondContact O-ND2 2.92Å; Q115-N118 PolarHBondContact O-N 2.98Å; N118-F121 PolarHBondContact O-N 3.43Å; N118-A122 PolarHBondContact O-N 3.31Å; N118-K138 WeakPolarHBondContact OD1-CE 3.47Å; N118-K138 PolarHBondContact OD1-NZ 3.13Å |
| 119 | E | 97.8 | Very high | 96.5 | Very high | 105 Ų | 105 | 88.4 Ų | 88.4 | 49% | 0.491 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 171.6 | -72.3 | 169.9 | -170.1 | 0 | 0 | 111.2 | Q115 S116 L117 F121 A122 T123 | Q115-E119 WeakPolarHBondContact CG-OE1 3.4Å; Q115-E119 PolarHBondContact NE2-OE1 2.96Å; Q115-E119 WeakPolarHBondContact O-CG 3.36Å; Q115-E119 PolarHBondContact O-N 3.2Å; S116-E119 PolarHBondContact O-N 2.93Å; L117-E119 VanDerWaalsContact C-N 3.32Å; L117-E119 PolarHBondContact O-N 3.36Å; E119-F121 VanDerWaalsContact C-N 3.35Å; E119-F121 PolarHBondContact O-N 3.07Å; E119-A122 WeakPolarHBondContact O-CB 3.42Å; E119-A122 PolarHBondContact O-N 3.03Å; E119-T123 PolarHBondContact O-N 3.38Å; E119-T123 PolarHBondContact O-OG1 3.45Å |
| 120 | A | 98 | Very high | 96.1 | Very high | 62 Ų | 62 | 83 Ų | 83 | 51% | 0.512 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S116 L117 A122 T123 L124 | S116-A120 PolarHBondContact O-N 2.91Å; L117-A120 WeakPolarHBondContact O-CB 3.45Å; L117-A120 PolarHBondContact O-N 3.34Å; A120-A122 VanDerWaalsContact C-N 3.31Å; A120-A122 PolarHBondContact O-N 3.48Å; A120-T123 PolarHBondContact O-N 3.25Å; A120-L124 WeakPolarHBondContact O-CB 3.46Å; A120-L124 PolarHBondContact O-N 3.12Å |
| 121 | F | 97.7 | Very high | 95.4 | Very high | 35 Ų | 35 | 83 Ų | 83 | 15% | 0.154 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -63.2 | -35 | 172.2 | -91.7 | -85.3 | 0 | 0 | 0 | 112.5 | L117 N118 E119 R125 K138 T141 L142 | L117-F121 HydrophobicContact CD2-CD2 3.57Å; L117-F121 HydrophobicContact CD2-CE2 3.62Å; L117-F121 HydrophobicContact CG-CD2 4.24Å; L117-F121 HydrophobicContact CG-CE2 4.24Å; L117-F121 WeakPolarHBondContact O-CD2 3.41Å; L117-F121 PolarHBondContact O-N 3.27Å; N118-F121 PolarHBondContact O-N 3.43Å; E119-F121 VanDerWaalsContact C-N 3.35Å; E119-F121 PolarHBondContact O-N 3.07Å; F121-R125 WeakPolarHBondContact O-CG 3.17Å; F121-R125 PolarHBondContact O-N 3.3Å; F121-R125 VanDerWaalsContact O-N 3.08Å; F121-R125 PolarHBondContact O-NH1 3.38Å; F121-K138 HydrophobicContact CD1-CB 4.42Å; F121-K138 HydrophobicContact CD1-CG 4.22Å; F121-K138 HydrophobicContact CE1-CB 3.85Å; F121-K138 HydrophobicContact CE1-CG 4.06Å; F121-K138 HydrophobicContact CE2-CD 4.46Å; F121-K138 HydrophobicContact CZ-CB 4.16Å; F121-K138 HydrophobicContact CZ-CD 4.41Å; F121-K138 HydrophobicContact CZ-CG 4.29Å; F121-T141 HydrophobicContact CD1-CG2 4.36Å; F121-L142 HydrophobicContact CE1-CD1 4.5Å; F121-L142 HydrophobicContact CE1-CD2 4.06Å; F121-L142 HydrophobicContact CE1-CG 4.05Å; F121-L142 HydrophobicContact CZ-CD1 4.38Å; F121-L142 HydrophobicContact CZ-CD2 4.25Å; F121-L142 HydrophobicContact CZ-CG 4.36Å |
| 122 | A | 95.7 | Very high | 94.4 | Very high | 42 Ų | 42 | 80.3 Ų | 80.3 | 35% | 0.347 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.6 | -43 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | N118 E119 A120 R125 K126 | N118-A122 PolarHBondContact O-N 3.31Å; E119-A122 WeakPolarHBondContact O-CB 3.42Å; E119-A122 PolarHBondContact O-N 3.03Å; A120-A122 VanDerWaalsContact C-N 3.31Å; A120-A122 PolarHBondContact O-N 3.48Å; A122-R125 PolarHBondContact O-N 3.26Å; A122-K126 WeakPolarHBondContact O-CG 3.31Å; A122-K126 PolarHBondContact O-N 3.34Å |
| 123 | T | 96.5 | Very high | 93.4 | Very high | 82 Ų | 82 | 79.3 Ų | 79.3 | 50% | 0.503 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 173.9 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | E119 A120 R125 K126 | E119-T123 PolarHBondContact O-N 3.38Å; E119-T123 PolarHBondContact O-OG1 3.45Å; A120-T123 PolarHBondContact O-N 3.25Å; T123-R125 VanDerWaalsContact C-N 3.31Å; T123-R125 PolarHBondContact O-N 3.06Å; T123-K126 WeakPolarHBondContact O-CB 3.45Å; T123-K126 PolarHBondContact O-N 3.13Å; T123-K126 VanDerWaalsContact O-N 3.13Å |
| 124 | L | 97.2 | Very high | 92.6 | Very high | 47 Ų | 47 | 73.8 Ų | 73.8 | 25% | 0.246 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.7 | -40.3 | 175.8 | 179.4 | 57.4 | 0 | 0 | 0 | 112 | A120 K126 I127 I128 T141 L142 A145 | A120-L124 WeakPolarHBondContact O-CB 3.46Å; A120-L124 PolarHBondContact O-N 3.12Å; L124-K126 VanDerWaalsContact C-N 3.28Å; L124-K126 PolarHBondContact O-N 3.28Å; L124-I127 HydrophobicContact CD1-CD1 3.98Å; L124-I127 HydrophobicContact CD1-CG1 4.17Å; L124-I127 WeakPolarHBondContact O-CG1 3.37Å; L124-I127 PolarHBondContact O-N 3.49Å; L124-I128 HydrophobicContact CD1-CD1 4.06Å; L124-I128 HydrophobicContact CD1-CG1 4.34Å; L124-I128 HydrophobicContact CG-CD1 3.95Å; L124-I128 WeakPolarHBondContact O-CD1 3.46Å; L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 3.5Å; L124-I128 PolarHBondContact O-N 3.19Å; L124-T141 HydrophobicContact CD2-CG2 3.87Å; L124-T141 HydrophobicContact CG-CG2 3.93Å; L124-L142 HydrophobicContact CD2-CD2 4.32Å; L124-A145 HydrophobicContact CD1-CB 4.11Å; L124-A145 HydrophobicContact CD2-CB 4.42Å |
| 125 | R | 95.1 | Very high | 92.1 | Very high | 82 Ų | 82 | 79.9 Ų | 79.9 | 31% | 0.309 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.7 | -29.2 | 177 | -72.8 | -176.8 | -161.6 | 97.7 | -8.6 | 113.6 | F121 A122 T123 I127 L136 T141 | F121-R125 WeakPolarHBondContact O-CG 3.17Å; F121-R125 PolarHBondContact O-N 3.3Å; F121-R125 VanDerWaalsContact O-N 3.08Å; F121-R125 PolarHBondContact O-NH1 3.38Å; A122-R125 PolarHBondContact O-N 3.26Å; T123-R125 VanDerWaalsContact C-N 3.31Å; T123-R125 PolarHBondContact O-N 3.06Å; R125-I127 VanDerWaalsContact C-N 3.35Å; R125-L136 PolarHBondContact NE-O 2.87Å; R125-T141 HydrophobicContact CG-CG2 3.69Å; R125-T141 PolarHBondContact NE-OG1 3.33Å |
| 126 | K | 92.6 | Very high | 91.7 | Very high | 167 Ų | 167 | 76 Ų | 76 | 73% | 0.726 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -69.3 | -31.6 | 179.7 | -68.8 | 175.3 | -177.7 | 179.2 | 0 | 113 | A122 T123 L124 | A122-K126 WeakPolarHBondContact O-CG 3.31Å; A122-K126 PolarHBondContact O-N 3.34Å; T123-K126 WeakPolarHBondContact O-CB 3.45Å; T123-K126 PolarHBondContact O-N 3.13Å; T123-K126 VanDerWaalsContact O-N 3.13Å; L124-K126 VanDerWaalsContact C-N 3.28Å; L124-K126 PolarHBondContact O-N 3.28Å |
| 127 | I | 93.1 | Very high | 91.5 | Very high | 103 Ų | 103 | 75 Ų | 75 | 53% | 0.528 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -90.5 | -11.8 | -176.6 | 64 | 165.2 | 0 | 0 | 0 | 113.5 | L124 R125 P129 Y148 | L124-I127 HydrophobicContact CD1-CD1 3.98Å; L124-I127 HydrophobicContact CD1-CG1 4.17Å; L124-I127 WeakPolarHBondContact O-CG1 3.37Å; L124-I127 PolarHBondContact O-N 3.49Å; R125-I127 VanDerWaalsContact C-N 3.35Å; I127-P129 WeakPolarHBondContact O-CD 3.48Å; I127-Y148 WeakPolarHBondContact O-CE1 3.33Å |
| 128 | I | 92.7 | Very high | 91.5 | Very high | 4 Ų | 4 | 75.4 Ų | 75.4 | 2% | 0.021 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -88.3 | 121.6 | 178.2 | -62.2 | 164.8 | 0 | 0 | 0 | 108.2 | L124 T130 T141 L144 A145 | L124-I128 HydrophobicContact CD1-CD1 4.06Å; L124-I128 HydrophobicContact CD1-CG1 4.34Å; L124-I128 HydrophobicContact CG-CD1 3.95Å; L124-I128 WeakPolarHBondContact O-CD1 3.46Å; L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 3.5Å; L124-I128 PolarHBondContact O-N 3.19Å; I128-T130 HydrophobicContact CG2-CG2 4.09Å; I128-T130 PolarHBondContact O-N 3.38Å; I128-T130 VanDerWaalsContact O-N 3.13Å; I128-T130 PolarHBondContact O-OG1 3.27Å; I128-T141 HydrophobicContact CD1-CG2 3.84Å; I128-L144 HydrophobicContact CG2-CB 4.33Å; I128-L144 HydrophobicContact CG2-CD2 3.44Å; I128-L144 VanDerWaalsContact CG2-CD2 3.44Å; I128-L144 HydrophobicContact CG2-CG 3.56Å; I128-A145 HydrophobicContact CD1-CB 3.77Å; I128-A145 HydrophobicContact CG1-CB 4.32Å |
| 129 | P | 91 | Very high | 91.4 | Very high | 5 Ų | 5 | 76.6 Ų | 76.6 | 3% | 0.032 | 41% | 0.414 | C | S | . | . | trans | -61.5 | 117.8 | 174.2 | -24.8 | 35.7 | 0 | 0 | 0 | 111.3 | I127 Y148 S181 F184 | I127-P129 WeakPolarHBondContact O-CD 3.48Å; P129-Y148 VanDerWaalsContact CD-CE1 3.42Å; P129-Y148 VanDerWaalsContact CD-CZ 3.41Å; P129-Y148 HydrophobicContact CG-CD2 4.11Å; P129-Y148 HydrophobicContact CG-CE1 4.02Å; P129-Y148 HydrophobicContact CG-CE2 3.52Å; P129-Y148 VanDerWaalsContact CG-CZ 3.46Å; P129-S181 WeakPolarHBondContact CB-OG 3.47Å; P129-F184 HydrophobicContact CB-CD1 3.97Å; P129-F184 HydrophobicContact CG-CD1 4.37Å | ||
| 130 | T | 87.9 | Confident | 91.2 | Very high | 59 Ų | 59 | 74.6 Ų | 74.6 | 36% | 0.362 | 40% | 0.404 | S | S | . | . | trans | -136 | 156.9 | -175.8 | 48.5 | 0 | 0 | 0 | 0 | 110.5 | I128 D134 L136 L144 | I128-T130 HydrophobicContact CG2-CG2 4.09Å; I128-T130 PolarHBondContact O-N 3.38Å; I128-T130 VanDerWaalsContact O-N 3.13Å; I128-T130 PolarHBondContact O-OG1 3.27Å; T130-D134 HydrophobicContact CG2-CB 4.47Å; T130-L136 HydrophobicContact CG2-CD1 3.58Å; T130-L136 HydrophobicContact CG2-CG 4.49Å; T130-L144 HydrophobicContact CG2-CD2 3.73Å | ||
| 131 | L | 83.2 | Confident | 91 | Very high | 81 Ų | 81 | 71.6 Ų | 71.6 | 42% | 0.424 | 38% | 0.38 | S | S | . | . | trans | -80.3 | 151.4 | 171.4 | -64 | 173.6 | 0 | 0 | 0 | 109.6 | S133 D134 | L131-S133 PolarHBondContact O-N 3.08Å; L131-D134 PolarHBondContact N-OD2 2.87Å; L131-D134 WeakPolarHBondContact O-CB 3.28Å; L131-D134 PolarHBondContact O-N 2.93Å | ||
| 132 | P | 77.5 | Confident | 91 | Very high | 134 Ų | 134 | 74 Ų | 74 | 87% | 0.87 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -21.5 | 179.6 | 22.6 | -33.9 | 0 | 0 | 0 | 113.8 | ||
| 133 | S | 77.6 | Confident | 90.9 | Very high | 101 Ų | 101 | 78.7 Ų | 78.7 | 71% | 0.706 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -11.5 | 175.6 | -171.3 | 0 | 0 | 0 | 0 | 114.2 | L131 K135 | L131-S133 PolarHBondContact O-N 3.08Å; S133-K135 PolarHBondContact O-N 3.19Å; S133-K135 VanDerWaalsContact O-N 3.14Å |
| 134 | D | 82.2 | Confident | 90.7 | Very high | 49 Ų | 49 | 74.8 Ų | 74.8 | 26% | 0.262 | 38% | 0.379 | S | S | . | . | trans | -75.3 | 107 | -171.5 | -71.3 | -16.3 | 0 | 0 | 0 | 110.6 | T130 L131 L136 R188 | T130-D134 HydrophobicContact CG2-CB 4.47Å; L131-D134 PolarHBondContact N-OD2 2.87Å; L131-D134 WeakPolarHBondContact O-CB 3.28Å; L131-D134 PolarHBondContact O-N 2.93Å; D134-L136 HydrophobicContact CB-CD2 4.31Å; D134-L136 HydrophobicContact CB-CG 4.42Å; D134-R188 IonicContact OD2-NH1 3.59Å; D134-R188 IonicContact OD2-NH2 3.89Å | ||
| 135 | K | 87 | Confident | 90.7 | Very high | 181 Ų | 181 | 73.2 Ų | 73.2 | 79% | 0.787 | 37% | 0.372 | S | S | * | . | trans | -94.7 | 98.2 | 169.3 | -60.2 | -56.1 | -176.1 | -169 | 0 | 109.6 | S133 Q140 | S133-K135 PolarHBondContact O-N 3.19Å; S133-K135 VanDerWaalsContact O-N 3.14Å; K135-Q140 PolarHBondContact O-OE1 3.36Å | ||
| 136 | L | 89.4 | Confident | 90.7 | Very high | 30 Ų | 30 | 71.7 Ų | 71.7 | 16% | 0.157 | 38% | 0.377 | C | S | . | . | trans | -92 | 117 | -174.9 | -57.8 | -179.6 | 0 | 0 | 0 | 113 | R125 T130 D134 Q140 L144 | R125-L136 PolarHBondContact NE-O 2.87Å; T130-L136 HydrophobicContact CG2-CD1 3.58Å; T130-L136 HydrophobicContact CG2-CG 4.49Å; D134-L136 HydrophobicContact CB-CD2 4.31Å; D134-L136 HydrophobicContact CB-CG 4.42Å; L136-Q140 HydrophobicContact CB-CB 4.4Å; L136-Q140 HydrophobicContact CD2-CB 4.24Å; L136-L144 HydrophobicContact CD1-CD2 3.7Å; L136-L144 HydrophobicContact CD2-CD2 4.3Å | ||
| 137 | S | 94.4 | Very high | 90.8 | Very high | 52 Ų | 52 | 66.2 Ų | 66.2 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | trans | -64.6 | 169.4 | 165.4 | 74.3 | 0 | 0 | 0 | 0 | 111.9 | I139 Q140 T141 | S137-I139 PolarHBondContact O-N 3Å; S137-I139 WeakPolarHBondContact OG-CG2 3.5Å; S137-Q140 PolarHBondContact O-N 3.49Å; S137-Q140 WeakPolarHBondContact OG-CB 3.44Å; S137-Q140 VanDerWaalsContact OG-CG 3.28Å; S137-Q140 WeakPolarHBondContact OG-CG 3.43Å; S137-Q140 PolarHBondContact OG-N 3.14Å; S137-Q140 PolarHBondContact OG-OE1 2.89Å; S137-Q140 VanDerWaalsContact OG-OE1 3.13Å; S137-T141 WeakPolarHBondContact O-CB 3.47Å; S137-T141 PolarHBondContact O-N 3.49Å; S137-T141 PolarHBondContact O-OG1 3.4Å | ||
| 138 | K | 96.1 | Very high | 90.9 | Very high | 95 Ų | 95 | 62.6 Ų | 62.6 | 41% | 0.413 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.4 | -47.6 | 179.8 | -70.1 | -175.1 | 176.3 | -174.7 | 0 | 111.8 | N118 F121 Q140 T141 L142 | N118-K138 WeakPolarHBondContact OD1-CE 3.47Å; N118-K138 PolarHBondContact OD1-NZ 3.13Å; F121-K138 HydrophobicContact CD1-CB 4.42Å; F121-K138 HydrophobicContact CD1-CG 4.22Å; F121-K138 HydrophobicContact CE1-CB 3.85Å; F121-K138 HydrophobicContact CE1-CG 4.06Å; F121-K138 HydrophobicContact CE2-CD 4.46Å; F121-K138 HydrophobicContact CZ-CB 4.16Å; F121-K138 HydrophobicContact CZ-CD 4.41Å; F121-K138 HydrophobicContact CZ-CG 4.29Å; K138-Q140 PolarHBondContact O-N 3.49Å; K138-T141 PolarHBondContact O-N 3.25Å; K138-L142 WeakPolarHBondContact O-CG 3.35Å; K138-L142 PolarHBondContact O-N 2.95Å |
| 139 | I | 95.8 | Very high | 91 | Very high | 93 Ų | 93 | 67.8 Ų | 67.8 | 48% | 0.477 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.8 | -39 | 178.8 | -175.6 | 59.5 | 0 | 0 | 0 | 112.1 | S137 L142 R143 | S137-I139 PolarHBondContact O-N 3Å; S137-I139 WeakPolarHBondContact OG-CG2 3.5Å; I139-L142 PolarHBondContact O-N 3.46Å; I139-R143 HydrophobicContact CD1-CG 4.4Å; I139-R143 WeakPolarHBondContact O-CG 3.48Å; I139-R143 PolarHBondContact O-N 3.38Å |
| 140 | Q | 93.3 | Very high | 91.1 | Very high | 62 Ų | 62 | 71.4 Ų | 71.4 | 29% | 0.29 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 177.8 | -74.5 | 175.5 | -43.1 | 0 | 0 | 111.6 | K135 L136 S137 K138 L142 R143 L144 W197 | K135-Q140 PolarHBondContact O-OE1 3.36Å; L136-Q140 HydrophobicContact CB-CB 4.4Å; L136-Q140 HydrophobicContact CD2-CB 4.24Å; S137-Q140 PolarHBondContact O-N 3.49Å; S137-Q140 WeakPolarHBondContact OG-CB 3.44Å; S137-Q140 VanDerWaalsContact OG-CG 3.28Å; S137-Q140 WeakPolarHBondContact OG-CG 3.43Å; S137-Q140 PolarHBondContact OG-N 3.14Å; S137-Q140 PolarHBondContact OG-OE1 2.89Å; S137-Q140 VanDerWaalsContact OG-OE1 3.13Å; K138-Q140 PolarHBondContact O-N 3.49Å; Q140-L142 PolarHBondContact O-N 3.13Å; Q140-R143 PolarHBondContact O-N 2.79Å; Q140-L144 VanDerWaalsContact O-CB 3.29Å; Q140-L144 WeakPolarHBondContact O-CB 3.47Å; Q140-L144 PolarHBondContact O-N 3.43Å; Q140-W197 HydrophobicContact CB-CE3 4.37Å; Q140-W197 HydrophobicContact CB-CZ3 3.66Å; Q140-W197 HydrophobicContact CG-CE3 3.89Å; Q140-W197 HydrophobicContact CG-CZ3 3.6Å |
| 141 | T | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.6 | -48.1 | 176.3 | -54.8 | 0 | 0 | 0 | 0 | 110.7 | F121 L124 R125 I128 S137 K138 L144 A145 | F121-T141 HydrophobicContact CD1-CG2 4.36Å; L124-T141 HydrophobicContact CD2-CG2 3.87Å; L124-T141 HydrophobicContact CG-CG2 3.93Å; R125-T141 HydrophobicContact CG-CG2 3.69Å; R125-T141 PolarHBondContact NE-OG1 3.33Å; I128-T141 HydrophobicContact CD1-CG2 3.84Å; S137-T141 WeakPolarHBondContact O-CB 3.47Å; S137-T141 PolarHBondContact O-N 3.49Å; S137-T141 PolarHBondContact O-OG1 3.4Å; K138-T141 PolarHBondContact O-N 3.25Å; T141-L144 PolarHBondContact O-N 2.94Å; T141-A145 WeakPolarHBondContact O-CB 3.47Å; T141-A145 PolarHBondContact O-N 3.06Å |
| 142 | L | 97 | Very high | 91.7 | Very high | 86 Ų | 86 | 67.2 Ų | 67.2 | 45% | 0.45 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.1 | -47 | 179.6 | -65.5 | 175.6 | 0 | 0 | 0 | 112.4 | F121 L124 K138 I139 Q140 L144 A145 A146 | F121-L142 HydrophobicContact CE1-CD1 4.5Å; F121-L142 HydrophobicContact CE1-CD2 4.06Å; F121-L142 HydrophobicContact CE1-CG 4.05Å; F121-L142 HydrophobicContact CZ-CD1 4.38Å; F121-L142 HydrophobicContact CZ-CD2 4.25Å; F121-L142 HydrophobicContact CZ-CG 4.36Å; L124-L142 HydrophobicContact CD2-CD2 4.32Å; K138-L142 WeakPolarHBondContact O-CG 3.35Å; K138-L142 PolarHBondContact O-N 2.95Å; I139-L142 PolarHBondContact O-N 3.46Å; Q140-L142 PolarHBondContact O-N 3.13Å; L142-L144 VanDerWaalsContact C-N 3.34Å; L142-L144 PolarHBondContact O-N 3.31Å; L142-A145 WeakPolarHBondContact O-CB 3.44Å; L142-A145 PolarHBondContact O-N 2.94Å; L142-A146 PolarHBondContact O-N 2.88Å |
| 143 | R | 94.1 | Very high | 92.4 | Very high | 139 Ų | 139 | 68.1 Ų | 68.1 | 53% | 0.525 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.9 | -38.4 | 178.5 | -75.7 | 178.1 | 178.8 | -177.4 | -0.1 | 112.1 | I139 Q140 R147 W197 | I139-R143 HydrophobicContact CD1-CG 4.4Å; I139-R143 WeakPolarHBondContact O-CG 3.48Å; I139-R143 PolarHBondContact O-N 3.38Å; Q140-R143 PolarHBondContact O-N 2.79Å; R143-R147 WeakPolarHBondContact O-CG 3.41Å; R143-R147 PolarHBondContact O-N 3.18Å; R143-W197 HydrophobicContact CB-CH2 3.28Å; R143-W197 HydrophobicContact CB-CZ2 3.8Å; R143-W197 HydrophobicContact CB-CZ3 4.3Å; R143-W197 HydrophobicContact CG-CH2 4.29Å |
| 144 | L | 93.6 | Very high | 93 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.5 | -38.5 | 177.4 | -169.8 | 65.1 | 0 | 0 | 0 | 111.5 | I128 T130 L136 Q140 T141 L142 R147 Y148 F184 | I128-L144 HydrophobicContact CG2-CB 4.33Å; I128-L144 HydrophobicContact CG2-CD2 3.44Å; I128-L144 VanDerWaalsContact CG2-CD2 3.44Å; I128-L144 HydrophobicContact CG2-CG 3.56Å; T130-L144 HydrophobicContact CG2-CD2 3.73Å; L136-L144 HydrophobicContact CD1-CD2 3.7Å; L136-L144 HydrophobicContact CD2-CD2 4.3Å; Q140-L144 VanDerWaalsContact O-CB 3.29Å; Q140-L144 WeakPolarHBondContact O-CB 3.47Å; Q140-L144 PolarHBondContact O-N 3.43Å; T141-L144 PolarHBondContact O-N 2.94Å; L142-L144 VanDerWaalsContact C-N 3.34Å; L142-L144 PolarHBondContact O-N 3.31Å; L144-R147 VanDerWaalsContact CD1-NH2 3.32Å; L144-R147 PolarHBondContact O-N 3.04Å; L144-Y148 PolarHBondContact O-N 3.4Å; L144-F184 HydrophobicContact CD1-CE1 3.89Å; L144-F184 HydrophobicContact CD1-CZ 3.78Å; L144-F184 HydrophobicContact CG-CE1 4.41Å; L144-F184 HydrophobicContact CG-CZ 4.43Å |
| 145 | A | 96.4 | Very high | 93.3 | Very high | 13 Ų | 13 | 65.5 Ų | 65.5 | 11% | 0.107 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.1 | -48.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L124 I128 T141 L142 R147 Y148 I149 | L124-A145 HydrophobicContact CD1-CB 4.11Å; L124-A145 HydrophobicContact CD2-CB 4.42Å; I128-A145 HydrophobicContact CD1-CB 3.77Å; I128-A145 HydrophobicContact CG1-CB 4.32Å; T141-A145 WeakPolarHBondContact O-CB 3.47Å; T141-A145 PolarHBondContact O-N 3.06Å; L142-A145 WeakPolarHBondContact O-CB 3.44Å; L142-A145 PolarHBondContact O-N 2.94Å; A145-R147 PolarHBondContact O-N 3.09Å; A145-Y148 PolarHBondContact O-N 3.38Å; A145-Y148 VanDerWaalsContact O-N 3.13Å; A145-I149 WeakPolarHBondContact O-CG1 3.32Å; A145-I149 PolarHBondContact O-N 2.86Å |
| 146 | A | 95.4 | Very high | 93.4 | Very high | 50 Ų | 50 | 63.1 Ų | 63.1 | 41% | 0.413 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.3 | -47.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | L142 Y148 I149 D150 | L142-A146 PolarHBondContact O-N 2.88Å; A146-Y148 VanDerWaalsContact C-N 3.3Å; A146-Y148 PolarHBondContact O-N 3.03Å; A146-I149 WeakPolarHBondContact O-CB 3.49Å; A146-I149 PolarHBondContact O-N 2.94Å; A146-D150 PolarHBondContact O-N 2.82Å |
| 147 | R | 93.4 | Very high | 93.3 | Very high | 53 Ų | 53 | 66.5 Ų | 66.5 | 20% | 0.2 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61 | -36.7 | 175.9 | -73.6 | -165.3 | -63.6 | 168.7 | -4 | 113.3 | R143 L144 A145 D150 F151 F184 W187 | R143-R147 WeakPolarHBondContact O-CG 3.41Å; R143-R147 PolarHBondContact O-N 3.18Å; L144-R147 VanDerWaalsContact CD1-NH2 3.32Å; L144-R147 PolarHBondContact O-N 3.04Å; A145-R147 PolarHBondContact O-N 3.09Å; R147-D150 PolarHBondContact O-N 2.95Å; R147-F151 WeakPolarHBondContact O-CB 3.5Å; R147-F151 PolarHBondContact O-N 3.49Å; R147-F184 HydrophobicContact CB-CZ 4.48Å; R147-W187 HydrophobicContact CB-CZ3 4.21Å |
| 148 | Y | 95.5 | Very high | 92.6 | Very high | 27 Ų | 27 | 66.7 Ų | 66.7 | 11% | 0.106 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.1 | -40.7 | 177.1 | -173.9 | -132.7 | 0 | 0 | 0 | 111.3 | I127 P129 L144 A145 A146 D150 F151 L152 F184 | I127-Y148 WeakPolarHBondContact O-CE1 3.33Å; P129-Y148 VanDerWaalsContact CD-CE1 3.42Å; P129-Y148 VanDerWaalsContact CD-CZ 3.41Å; P129-Y148 HydrophobicContact CG-CD2 4.11Å; P129-Y148 HydrophobicContact CG-CE1 4.02Å; P129-Y148 HydrophobicContact CG-CE2 3.52Å; P129-Y148 VanDerWaalsContact CG-CZ 3.46Å; L144-Y148 PolarHBondContact O-N 3.4Å; A145-Y148 PolarHBondContact O-N 3.38Å; A145-Y148 VanDerWaalsContact O-N 3.13Å; A146-Y148 VanDerWaalsContact C-N 3.3Å; A146-Y148 PolarHBondContact O-N 3.03Å; Y148-D150 PolarHBondContact O-N 3.26Å; Y148-F151 AromaticContact CD2-CD1 3.94Å; Y148-F151 HydrophobicContact CD2-CD1 3.94Å; Y148-F151 AromaticContact CE2-CD1 3.94Å; Y148-F151 HydrophobicContact CE2-CD1 3.94Å; Y148-F151 HydrophobicContact CE2-CE1 4.3Å; Y148-F151 WeakPolarHBondContact O-CB 3.26Å; Y148-F151 PolarHBondContact O-N 2.71Å; Y148-L152 HydrophobicContact CD1-CD1 4.14Å; Y148-L152 HydrophobicContact CD2-CG 4.22Å; Y148-L152 HydrophobicContact CE1-CD1 3.79Å; Y148-L152 HydrophobicContact CE1-CG 4.41Å; Y148-L152 HydrophobicContact CE2-CD1 4.2Å; Y148-L152 HydrophobicContact CE2-CD2 3.84Å; Y148-L152 HydrophobicContact CE2-CG 3.91Å; Y148-L152 HydrophobicContact CG-CD1 4.5Å; Y148-L152 VanDerWaalsContact O-CG 3.29Å; Y148-L152 WeakPolarHBondContact O-CG 3.28Å; Y148-L152 PolarHBondContact O-N 3.07Å; Y148-F184 HydrophobicContact CD2-CB 4.36Å; Y148-F184 HydrophobicContact CD2-CD1 4.16Å; Y148-F184 AromaticContact CD2-CD2 3.71Å; Y148-F184 HydrophobicContact CD2-CD2 3.71Å; Y148-F184 HydrophobicContact CD2-CE1 4.32Å; Y148-F184 AromaticContact CD2-CE2 3.92Å; Y148-F184 HydrophobicContact CD2-CE2 3.92Å; Y148-F184 AromaticContact CD2-CG 3.81Å; Y148-F184 HydrophobicContact CD2-CG 3.81Å; Y148-F184 HydrophobicContact CD2-CZ 4.2Å; Y148-F184 HydrophobicContact CE2-CB 4.34Å; Y148-F184 HydrophobicContact CE2-CD2 4.47Å; Y148-F184 HydrophobicContact CE2-CG 4.26Å; Y148-F184 HydrophobicContact CG-CE2 4.45Å; Y148-F184 HydrophobicContact CG-CZ 4.45Å |
| 149 | I | 95 | Very high | 91.6 | Very high | 112 Ų | 112 | 69.6 Ų | 69.6 | 57% | 0.574 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.2 | -47.4 | 172.3 | -65.7 | 165.5 | 0 | 0 | 0 | 110.5 | A145 A146 F151 L152 W153 | A145-I149 WeakPolarHBondContact O-CG1 3.32Å; A145-I149 PolarHBondContact O-N 2.86Å; A146-I149 WeakPolarHBondContact O-CB 3.49Å; A146-I149 PolarHBondContact O-N 2.94Å; I149-F151 VanDerWaalsContact C-N 3.31Å; I149-F151 PolarHBondContact O-N 2.88Å; I149-L152 PolarHBondContact O-N 2.83Å; I149-W153 WeakPolarHBondContact O-CB 3.45Å; I149-W153 PolarHBondContact O-N 3.38Å |
| 150 | D | 93 | Very high | 90.3 | Very high | 81 Ų | 81 | 65.7 Ų | 65.7 | 43% | 0.433 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 178 | -65.8 | -28.6 | 0 | 0 | 0 | 112.3 | A146 R147 Y148 W153 K154 | A146-D150 PolarHBondContact O-N 2.82Å; R147-D150 PolarHBondContact O-N 2.95Å; Y148-D150 PolarHBondContact O-N 3.26Å; D150-W153 PolarHBondContact O-N 3.43Å; D150-K154 WeakPolarHBondContact O-CG 3.3Å; D150-K154 PolarHBondContact O-N 2.91Å |
| 151 | F | 92.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.1 | -51 | 175.2 | 166.2 | -103.8 | 0 | 0 | 0 | 111.4 | R147 Y148 I149 W153 K154 V155 Y163 L166 L180 A183 F184 W187 | R147-F151 WeakPolarHBondContact O-CB 3.5Å; R147-F151 PolarHBondContact O-N 3.49Å; Y148-F151 AromaticContact CD2-CD1 3.94Å; Y148-F151 HydrophobicContact CD2-CD1 3.94Å; Y148-F151 AromaticContact CE2-CD1 3.94Å; Y148-F151 HydrophobicContact CE2-CD1 3.94Å; Y148-F151 HydrophobicContact CE2-CE1 4.3Å; Y148-F151 WeakPolarHBondContact O-CB 3.26Å; Y148-F151 PolarHBondContact O-N 2.71Å; I149-F151 VanDerWaalsContact C-N 3.31Å; I149-F151 PolarHBondContact O-N 2.88Å; F151-W153 VanDerWaalsContact C-N 3.25Å; F151-W153 PolarHBondContact O-N 3.49Å; F151-K154 WeakPolarHBondContact O-CB 3.46Å; F151-K154 PolarHBondContact O-N 3Å; F151-K154 VanDerWaalsContact O-N 3.08Å; F151-V155 HydrophobicContact CD1-CG2 4.34Å; F151-V155 HydrophobicContact CD2-CG2 4.16Å; F151-V155 HydrophobicContact CE1-CG2 3.89Å; F151-V155 HydrophobicContact CE2-CG2 3.7Å; F151-V155 HydrophobicContact CG-CG2 4.47Å; F151-V155 HydrophobicContact CZ-CG2 3.54Å; F151-V155 WeakPolarHBondContact O-CG2 3.36Å; F151-V155 PolarHBondContact O-N 3.49Å; F151-Y163 HydrophobicContact CD2-CE1 4.38Å; F151-Y163 HydrophobicContact CE2-CD1 4.21Å; F151-Y163 AromaticContact CE2-CE1 3.74Å; F151-Y163 HydrophobicContact CE2-CE1 3.74Å; F151-Y163 HydrophobicContact CE2-CE2 4.46Å; F151-Y163 AromaticContact CE2-CZ 3.88Å; F151-L166 HydrophobicContact CZ-CD1 4.15Å; F151-L180 HydrophobicContact CE1-CD2 4.3Å; F151-A183 HydrophobicContact CE2-CB 4.39Å; F151-A183 HydrophobicContact CZ-CB 3.76Å; F151-F184 HydrophobicContact CB-CD2 3.72Å; F151-F184 HydrophobicContact CB-CE2 3.99Å; F151-F184 HydrophobicContact CD1-CB 3.96Å; F151-F184 AromaticContact CD1-CD2 3.67Å; F151-F184 HydrophobicContact CD1-CD2 3.67Å; F151-F184 HydrophobicContact CD1-CG 4.23Å; F151-F184 HydrophobicContact CD2-CD2 4.26Å; F151-F184 HydrophobicContact CE1-CB 3.78Å; F151-F184 HydrophobicContact CE1-CD2 4.35Å; F151-F184 HydrophobicContact CG-CB 4.48Å; F151-F184 AromaticContact CG-CD2 3.61Å; F151-F184 HydrophobicContact CG-CD2 3.61Å; F151-F184 HydrophobicContact CG-CE2 4.38Å; F151-F184 HydrophobicContact CZ-CB 4.15Å; F151-W187 HydrophobicContact CB-CD2 4.13Å; F151-W187 HydrophobicContact CB-CE3 3.92Å; F151-W187 HydrophobicContact CB-CH2 4.31Å; F151-W187 HydrophobicContact CB-CZ3 4.02Å; F151-W187 HydrophobicContact CD2-CB 3.78Å; F151-W187 AromaticContact CD2-CD2 3.71Å; F151-W187 HydrophobicContact CD2-CD2 3.71Å; F151-W187 HydrophobicContact CD2-CE3 4.13Å; F151-W187 AromaticContact CD2-CG 3.54Å; F151-W187 HydrophobicContact CD2-CG 3.54Å; F151-W187 HydrophobicContact CE2-CB 3.83Å; F151-W187 HydrophobicContact CE2-CG 4.04Å; F151-W187 HydrophobicContact CG-CD2 4.32Å; F151-W187 HydrophobicContact CG-CE3 4.34Å |
| 152 | L | 92.4 | Very high | 87.9 | Confident | 52 Ų | 52 | 71.8 Ų | 71.8 | 27% | 0.272 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.5 | -40.2 | 178.1 | -67.9 | 177.9 | 0 | 0 | 0 | 111.1 | Y148 I149 K154 V155 L156 L180 | Y148-L152 HydrophobicContact CD1-CD1 4.14Å; Y148-L152 HydrophobicContact CD2-CG 4.22Å; Y148-L152 HydrophobicContact CE1-CD1 3.79Å; Y148-L152 HydrophobicContact CE1-CG 4.41Å; Y148-L152 HydrophobicContact CE2-CD1 4.2Å; Y148-L152 HydrophobicContact CE2-CD2 3.84Å; Y148-L152 HydrophobicContact CE2-CG 3.91Å; Y148-L152 HydrophobicContact CG-CD1 4.5Å; Y148-L152 VanDerWaalsContact O-CG 3.29Å; Y148-L152 WeakPolarHBondContact O-CG 3.28Å; Y148-L152 PolarHBondContact O-N 3.07Å; I149-L152 PolarHBondContact O-N 2.83Å; L152-K154 VanDerWaalsContact C-N 3.34Å; L152-K154 PolarHBondContact O-N 3.46Å; L152-V155 PolarHBondContact O-N 2.88Å; L152-L156 WeakPolarHBondContact O-CB 3.2Å; L152-L156 VanDerWaalsContact O-CG 3.29Å; L152-L156 WeakPolarHBondContact O-CG 3.29Å; L152-L156 PolarHBondContact O-N 3.46Å; L152-L180 HydrophobicContact CD2-CD1 4.36Å; L152-L180 HydrophobicContact CD2-CD2 4Å |
| 153 | W | 92.3 | Very high | 86.9 | Confident | 154 Ų | 154 | 69 Ų | 69 | 58% | 0.583 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.5 | -40.3 | 175.2 | -176.2 | 71.6 | 0 | 0 | 0 | 112.4 | I149 D150 F151 Q157 | I149-W153 WeakPolarHBondContact O-CB 3.45Å; I149-W153 PolarHBondContact O-N 3.38Å; D150-W153 PolarHBondContact O-N 3.43Å; F151-W153 VanDerWaalsContact C-N 3.25Å; F151-W153 PolarHBondContact O-N 3.49Å; W153-Q157 VanDerWaalsContact CE2-CD 3.47Å; W153-Q157 VanDerWaalsContact CH2-CD 3.49Å; W153-Q157 HydrophobicContact CZ2-CG 4.42Å; W153-Q157 WeakPolarHBondContact O-CG 3.47Å; W153-Q157 PolarHBondContact O-N 2.9Å; W153-Q157 VanDerWaalsContact O-N 3.11Å; W153-Q157 PolarHBondContact O-NE2 3.13Å |
| 154 | K | 89.9 | Confident | 85.6 | Confident | 79 Ų | 79 | 67.7 Ų | 67.7 | 34% | 0.343 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.2 | -39.2 | 173.7 | -72.4 | 177.3 | -179.6 | -176.9 | 0 | 112.9 | D150 F151 L152 L156 N158 Y163 W187 | D150-K154 WeakPolarHBondContact O-CG 3.3Å; D150-K154 PolarHBondContact O-N 2.91Å; F151-K154 WeakPolarHBondContact O-CB 3.46Å; F151-K154 PolarHBondContact O-N 3Å; F151-K154 VanDerWaalsContact O-N 3.08Å; L152-K154 VanDerWaalsContact C-N 3.34Å; L152-K154 PolarHBondContact O-N 3.46Å; K154-L156 VanDerWaalsContact C-N 3.32Å; K154-N158 WeakPolarHBondContact O-CB 3.5Å; K154-N158 VanDerWaalsContact O-CG 3.3Å; K154-N158 PolarHBondContact O-N 3.34Å; K154-N158 PolarHBondContact O-ND2 3.03Å; K154-Y163 HydrophobicContact CB-CE2 4.48Å; K154-W187 HydrophobicContact CD-CZ2 4.25Å |
| 155 | V | 88.9 | Confident | 84.4 | Confident | 15 Ų | 15 | 70.2 Ų | 70.2 | 9% | 0.091 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 176.3 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | F151 L152 N159 G160 Y163 L166 | F151-V155 HydrophobicContact CD1-CG2 4.34Å; F151-V155 HydrophobicContact CD2-CG2 4.16Å; F151-V155 HydrophobicContact CE1-CG2 3.89Å; F151-V155 HydrophobicContact CE2-CG2 3.7Å; F151-V155 HydrophobicContact CG-CG2 4.47Å; F151-V155 HydrophobicContact CZ-CG2 3.54Å; F151-V155 WeakPolarHBondContact O-CG2 3.36Å; F151-V155 PolarHBondContact O-N 3.49Å; L152-V155 PolarHBondContact O-N 2.88Å; V155-N159 PolarHBondContact O-N 2.95Å; V155-G160 PolarHBondContact O-N 3.41Å; V155-Y163 HydrophobicContact CB-CD2 4.39Å; V155-Y163 HydrophobicContact CB-CE2 4.42Å; V155-Y163 HydrophobicContact CG2-CD2 3.66Å; V155-Y163 HydrophobicContact CG2-CE2 3.62Å; V155-Y163 HydrophobicContact CG2-CG 4.36Å; V155-L166 HydrophobicContact CB-CD1 4.36Å; V155-L166 HydrophobicContact CG1-CD1 3.71Å; V155-L166 HydrophobicContact CG2-CD1 3.63Å |
| 156 | L | 88.6 | Confident | 83.5 | Confident | 132 Ų | 132 | 70.2 Ų | 70.2 | 69% | 0.691 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66.4 | -44.6 | 179.9 | -71 | 172.7 | 0 | 0 | 0 | 112.8 | L152 K154 N158 N159 | L152-L156 WeakPolarHBondContact O-CB 3.2Å; L152-L156 VanDerWaalsContact O-CG 3.29Å; L152-L156 WeakPolarHBondContact O-CG 3.29Å; L152-L156 PolarHBondContact O-N 3.46Å; K154-L156 VanDerWaalsContact C-N 3.32Å; L156-N158 VanDerWaalsContact C-N 3.27Å; L156-N158 PolarHBondContact O-N 3.43Å; L156-N159 PolarHBondContact O-N 3.34Å; L156-N159 PolarHBondContact O-OD1 3.25Å |
| 157 | Q | 87 | Confident | 82.5 | Confident | 101 Ų | 101 | 74.8 Ų | 74.8 | 47% | 0.472 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.6 | -33.6 | 179 | -78.8 | 168 | 96.1 | 0 | 0 | 113.6 | W153 N159 | W153-Q157 VanDerWaalsContact CE2-CD 3.47Å; W153-Q157 VanDerWaalsContact CH2-CD 3.49Å; W153-Q157 HydrophobicContact CZ2-CG 4.42Å; W153-Q157 WeakPolarHBondContact O-CG 3.47Å; W153-Q157 PolarHBondContact O-N 2.9Å; W153-Q157 VanDerWaalsContact O-N 3.11Å; W153-Q157 PolarHBondContact O-NE2 3.13Å; Q157-N159 VanDerWaalsContact C-N 3.33Å |
| 158 | N | 80.8 | Confident | 81.6 | Confident | 56 Ų | 56 | 75.2 Ų | 75.2 | 30% | 0.299 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 4.2 | -176.3 | -62.9 | -34.3 | 0 | 0 | 0 | 112.5 | K154 L156 G160 A161 N162 | K154-N158 WeakPolarHBondContact O-CB 3.5Å; K154-N158 VanDerWaalsContact O-CG 3.3Å; K154-N158 PolarHBondContact O-N 3.34Å; K154-N158 PolarHBondContact O-ND2 3.03Å; L156-N158 VanDerWaalsContact C-N 3.27Å; L156-N158 PolarHBondContact O-N 3.43Å; N158-G160 PolarHBondContact O-N 3.43Å; N158-G160 VanDerWaalsContact O-N 3.1Å; N158-A161 WeakPolarHBondContact O-CB 3.39Å; N158-A161 PolarHBondContact O-N 2.9Å; N158-N162 HydrophobicContact CB-CB 4.34Å; N158-N162 PolarHBondContact ND2-ND2 3.18Å; N158-N162 PolarHBondContact OD1-ND2 3.39Å |
| 159 | N | 73.4 | Confident | 80.8 | Confident | 155 Ų | 155 | 78 Ų | 78 | 83% | 0.829 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 32.9 | -168.5 | -71.2 | 15.4 | 0 | 0 | 0 | 113 | V155 L156 Q157 A161 | V155-N159 PolarHBondContact O-N 2.95Å; L156-N159 PolarHBondContact O-N 3.34Å; L156-N159 PolarHBondContact O-OD1 3.25Å; Q157-N159 VanDerWaalsContact C-N 3.33Å; N159-A161 PolarHBondContact O-N 3.32Å |
| 160 | G | 69.3 | Low | 80 | Confident | 12 Ų | 12 | 81 Ų | 81 | 12% | 0.124 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 2.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | V155 N158 N162 Y163 | V155-G160 PolarHBondContact O-N 3.41Å; N158-G160 PolarHBondContact O-N 3.43Å; N158-G160 VanDerWaalsContact O-N 3.1Å; G160-N162 VanDerWaalsContact C-N 3.31Å; G160-N162 PolarHBondContact O-N 2.84Å; G160-Y163 CarbonylContact O-C 3.25Å; G160-Y163 VanDerWaalsContact O-C 3.25Å; G160-Y163 WeakPolarHBondContact O-CA 3.46Å; G160-Y163 PolarHBondContact O-N 2.97Å |
| 161 | A | 67.9 | Low | 79.5 | Confident | 80 Ų | 80 | 78.2 Ų | 78.2 | 66% | 0.661 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -35.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.6 | N158 N159 Y163 | N158-A161 WeakPolarHBondContact O-CB 3.39Å; N158-A161 PolarHBondContact O-N 2.9Å; N159-A161 PolarHBondContact O-N 3.32Å; A161-Y163 PolarHBondContact O-N 3.13Å |
| 162 | N | 70.3 | Confident | 79.4 | Confident | 109 Ų | 109 | 84.8 Ų | 84.8 | 58% | 0.583 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -0.4 | 175.4 | -76.6 | -57.9 | 0 | 0 | 0 | 113.7 | N158 G160 | N158-N162 HydrophobicContact CB-CB 4.34Å; N158-N162 PolarHBondContact ND2-ND2 3.18Å; N158-N162 PolarHBondContact OD1-ND2 3.39Å; G160-N162 VanDerWaalsContact C-N 3.31Å; G160-N162 PolarHBondContact O-N 2.84Å |
| 163 | Y | 76.1 | Confident | 79.1 | Confident | 28 Ų | 28 | 91.5 Ų | 91.5 | 11% | 0.11 | 49% | 0.488 | C | S | . | . | trans | -132.1 | 79.2 | -179.7 | -57.9 | -77.3 | 0 | 0 | 0 | 108.9 | F151 K154 V155 G160 A161 S165 L166 W187 | F151-Y163 HydrophobicContact CD2-CE1 4.38Å; F151-Y163 HydrophobicContact CE2-CD1 4.21Å; F151-Y163 AromaticContact CE2-CE1 3.74Å; F151-Y163 HydrophobicContact CE2-CE1 3.74Å; F151-Y163 HydrophobicContact CE2-CE2 4.46Å; F151-Y163 AromaticContact CE2-CZ 3.88Å; K154-Y163 HydrophobicContact CB-CE2 4.48Å; V155-Y163 HydrophobicContact CB-CD2 4.39Å; V155-Y163 HydrophobicContact CB-CE2 4.42Å; V155-Y163 HydrophobicContact CG2-CD2 3.66Å; V155-Y163 HydrophobicContact CG2-CE2 3.62Å; V155-Y163 HydrophobicContact CG2-CG 4.36Å; G160-Y163 CarbonylContact O-C 3.25Å; G160-Y163 VanDerWaalsContact O-C 3.25Å; G160-Y163 WeakPolarHBondContact O-CA 3.46Å; G160-Y163 PolarHBondContact O-N 2.97Å; A161-Y163 PolarHBondContact O-N 3.13Å; Y163-S165 PolarHBondContact O-N 2.96Å; Y163-L166 HydrophobicContact CD2-CD1 4.3Å; Y163-L166 HydrophobicContact CG-CD1 3.95Å; Y163-L166 WeakPolarHBondContact O-CB 3.43Å; Y163-L166 PolarHBondContact O-N 3.42Å; Y163-W187 HydrophobicContact CE1-CB 4.41Å; Y163-W187 AromaticContact CE1-CD1 3.87Å; Y163-W187 HydrophobicContact CE1-CG 4.42Å; Y163-W187 AromaticContact CZ-CD1 3.97Å; Y163-W187 PolarHBondContact OH-NE1 3.3Å | ||
| 164 | P | 66.7 | Low | 78.8 | Confident | 111 Ų | 111 | 91.6 Ų | 91.6 | 72% | 0.721 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -25.5 | -174.5 | -24.8 | 33.5 | 0 | 0 | 0 | 114 | L166 | P164-L166 PolarHBondContact O-N 3.45Š|
| 165 | S | 68.7 | Low | 78.7 | Confident | 55 Ų | 55 | 92 Ų | 92 | 39% | 0.385 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -11.1 | 175.7 | 55.4 | 0 | 0 | 0 | 0 | 114.2 | Y163 Q167 | Y163-S165 PolarHBondContact O-N 2.96Å; S165-Q167 PolarHBondContact O-N 3.17Å |
| 166 | L | 75.9 | Confident | 78.6 | Confident | 12 Ų | 12 | 92.4 Ų | 92.4 | 6% | 0.063 | 50% | 0.498 | C | S | . | . | trans | -99.2 | 51.8 | -178.1 | -66.6 | -174.5 | 0 | 0 | 0 | 112.2 | F151 V155 Y163 P164 L168 R179 L180 A183 | F151-L166 HydrophobicContact CZ-CD1 4.15Å; V155-L166 HydrophobicContact CB-CD1 4.36Å; V155-L166 HydrophobicContact CG1-CD1 3.71Å; V155-L166 HydrophobicContact CG2-CD1 3.63Å; Y163-L166 HydrophobicContact CD2-CD1 4.3Å; Y163-L166 HydrophobicContact CG-CD1 3.95Å; Y163-L166 WeakPolarHBondContact O-CB 3.43Å; Y163-L166 PolarHBondContact O-N 3.42Å; P164-L166 PolarHBondContact O-N 3.45Å; L166-L168 HydrophobicContact CB-CD1 3.62Å; L166-L168 HydrophobicContact CD2-CD1 3.74Å; L166-L168 HydrophobicContact CG-CD1 4.23Å; L166-L168 WeakPolarHBondContact O-CD1 3.29Å; L166-L168 PolarHBondContact O-N 2.86Å; L166-R179 HydrophobicContact CD2-CB 4.02Å; L166-R179 VanDerWaalsContact CD2-O 3.29Å; L166-R179 WeakPolarHBondContact CD2-O 3.29Å; L166-L180 HydrophobicContact CD1-CD2 4.2Å; L166-L180 HydrophobicContact CD2-CD2 4.1Å; L166-A183 HydrophobicContact CD1-CB 3.78Å; L166-A183 HydrophobicContact CD2-CB 3.49Å; L166-A183 VanDerWaalsContact CD2-CB 3.49Å; L166-A183 HydrophobicContact CG-CB 3.63Å | ||
| 167 | Q | 75.4 | Confident | 78.5 | Confident | 146 Ų | 146 | 88.9 Ų | 88.9 | 68% | 0.682 | 48% | 0.478 | S | S | * | . | trans | -71.5 | 81.9 | 164.5 | -67.8 | -176.6 | 3.4 | 0 | 0 | 109.1 | S165 A169 V171 R179 | S165-Q167 PolarHBondContact O-N 3.17Å; Q167-A169 VanDerWaalsContact C-N 3.28Å; Q167-A169 PolarHBondContact O-N 2.84Å; Q167-V171 WeakPolarHBondContact O-CG2 3.26Å; Q167-R179 PolarHBondContact O-NH1 3.44Å | ||
| 168 | L | 75.1 | Confident | 78.6 | Confident | 63 Ų | 63 | 88.9 Ų | 88.9 | 33% | 0.33 | 48% | 0.478 | S | S | . | . | trans | -81.8 | -3.5 | -176 | -92.8 | 74.3 | 0 | 0 | 0 | 114.1 | L166 N170 T176 L180 | L166-L168 HydrophobicContact CB-CD1 3.62Å; L166-L168 HydrophobicContact CD2-CD1 3.74Å; L166-L168 HydrophobicContact CG-CD1 4.23Å; L166-L168 WeakPolarHBondContact O-CD1 3.29Å; L166-L168 PolarHBondContact O-N 2.86Å; L168-N170 PolarHBondContact O-N 3.38Å; L168-T176 HydrophobicContact CD2-CG2 4.2Å; L168-T176 HydrophobicContact CG-CG2 4.12Å; L168-L180 HydrophobicContact CD2-CD1 4.31Å; L168-L180 HydrophobicContact CD2-CD2 4.31Å; L168-L180 HydrophobicContact CD2-CG 4.23Å | ||
| 169 | A | 77.3 | Confident | 79 | Confident | 86 Ų | 86 | 89.8 Ų | 89.8 | 71% | 0.711 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 129.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q167 V171 | Q167-A169 VanDerWaalsContact C-N 3.28Å; Q167-A169 PolarHBondContact O-N 2.84Å; A169-V171 VanDerWaalsContact C-N 3.31Å; A169-V171 WeakPolarHBondContact O-CG2 3.29Å; A169-V171 PolarHBondContact O-N 2.62Å |
| 170 | N | 79.1 | Confident | 79.8 | Confident | 173 Ų | 173 | 83.6 Ų | 83.6 | 93% | 0.925 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | 35.5 | 177.7 | -57.1 | -17.1 | 0 | 0 | 0 | 114.7 | L168 | L168-N170 PolarHBondContact O-N 3.38Š|
| 171 | V | 83.2 | Confident | 80.8 | Confident | 24 Ų | 24 | 84 Ų | 84 | 15% | 0.145 | 45% | 0.445 | C | S | . | . | trans | -109.8 | 133.8 | -179.8 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | Q167 A169 Q175 T176 | Q167-V171 WeakPolarHBondContact O-CG2 3.26Å; A169-V171 VanDerWaalsContact C-N 3.31Å; A169-V171 WeakPolarHBondContact O-CG2 3.29Å; A169-V171 PolarHBondContact O-N 2.62Å; V171-Q175 HydrophobicContact CG1-CB 3.31Å; V171-Q175 HydrophobicContact CG1-CG 3.36Å; V171-Q175 VanDerWaalsContact CG1-OE1 3.26Å; V171-T176 HydrophobicContact CB-CG2 3.76Å; V171-T176 HydrophobicContact CG1-CG2 3.68Å | ||
| 172 | D | 88.8 | Confident | 81.9 | Confident | 137 Ų | 137 | 87.9 Ų | 87.9 | 73% | 0.733 | 44% | 0.444 | S | S | * | . | trans | -63.6 | 155.3 | 174.2 | -68.5 | -29 | 0 | 0 | 0 | 111.9 | F174 Q175 T176 | D172-F174 PolarHBondContact O-N 3.4Å; D172-Q175 PolarHBondContact O-N 2.91Å; D172-T176 PolarHBondContact O-N 3.44Å | ||
| 173 | Y | 86.9 | Confident | 82.8 | Confident | 194 Ų | 194 | 82.8 Ų | 82.8 | 76% | 0.761 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -50.7 | -37.2 | -178.1 | -176.1 | -95.7 | 0 | 0 | 0 | 113.7 | T176 H177 | Y173-T176 WeakPolarHBondContact CA-OG1 3.43Å; Y173-T176 PolarHBondContact O-OG1 2.89Å; Y173-H177 WeakPolarHBondContact O-CB 3.35Å; Y173-H177 PolarHBondContact O-N 3.3Å; Y173-H177 VanDerWaalsContact O-N 3.09Å |
| 174 | F | 86.7 | Confident | 83.5 | Confident | 155 Ų | 155 | 81.5 Ų | 81.5 | 68% | 0.68 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -64.2 | -47.4 | 177.4 | -177 | -98.8 | 0 | 0 | 0 | 112 | D172 H177 E178 | D172-F174 PolarHBondContact O-N 3.4Å; F174-H177 WeakPolarHBondContact O-CB 3.27Å; F174-H177 PolarHBondContact O-N 2.94Å; F174-E178 HydrophobicContact CD1-CG 4.38Å; F174-E178 HydrophobicContact CE1-CG 3.97Å; F174-E178 HydrophobicContact CZ-CG 4.2Å; F174-E178 WeakPolarHBondContact O-CG 3.39Å; F174-E178 PolarHBondContact O-N 2.95Å; F174-E178 VanDerWaalsContact O-N 3.07Å |
| 175 | Q | 87.1 | Confident | 84.6 | Confident | 88 Ų | 88 | 78 Ų | 78 | 41% | 0.411 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -76.2 | -26.9 | -177.2 | -179.9 | -178.9 | 96.9 | 0 | 0 | 111.8 | V171 D172 R179 | V171-Q175 HydrophobicContact CG1-CB 3.31Å; V171-Q175 HydrophobicContact CG1-CG 3.36Å; V171-Q175 VanDerWaalsContact CG1-OE1 3.26Å; D172-Q175 PolarHBondContact O-N 2.91Å; Q175-R179 WeakPolarHBondContact O-CB 3.48Å; Q175-R179 VanDerWaalsContact O-CG 3.28Å; Q175-R179 WeakPolarHBondContact O-CG 3.29Å; Q175-R179 PolarHBondContact O-N 3.43Å |
| 176 | T | 86.6 | Confident | 85.4 | Confident | 24 Ų | 24 | 77.7 Ų | 77.7 | 15% | 0.147 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 169.4 | 59.3 | 0 | 0 | 0 | 0 | 110.8 | L168 V171 D172 Y173 R179 L180 | L168-T176 HydrophobicContact CD2-CG2 4.2Å; L168-T176 HydrophobicContact CG-CG2 4.12Å; V171-T176 HydrophobicContact CB-CG2 3.76Å; V171-T176 HydrophobicContact CG1-CG2 3.68Å; D172-T176 PolarHBondContact O-N 3.44Å; Y173-T176 WeakPolarHBondContact CA-OG1 3.43Å; Y173-T176 PolarHBondContact O-OG1 2.89Å; T176-R179 PolarHBondContact O-N 3.34Å; T176-L180 WeakPolarHBondContact O-CB 3.47Å; T176-L180 VanDerWaalsContact O-CG 3.3Å; T176-L180 WeakPolarHBondContact O-CG 3.38Å; T176-L180 PolarHBondContact O-N 3.28Å |
| 177 | H | 87 | Confident | 86 | Confident | 58 Ų | 58 | 78.3 Ų | 78.3 | 27% | 0.269 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.1 | -46 | 176 | -176.9 | -88 | 0 | 0 | 0 | 112.1 | Y173 F174 L180 S181 | Y173-H177 WeakPolarHBondContact O-CB 3.35Å; Y173-H177 PolarHBondContact O-N 3.3Å; Y173-H177 VanDerWaalsContact O-N 3.09Å; F174-H177 WeakPolarHBondContact O-CB 3.27Å; F174-H177 PolarHBondContact O-N 2.94Å; H177-L180 PolarHBondContact O-N 3.5Å; H177-S181 PolarHBondContact CE1-OG 3.18Å; H177-S181 VanDerWaalsContact O-CB 3.26Å; H177-S181 WeakPolarHBondContact O-CB 3.37Å; H177-S181 PolarHBondContact O-N 3.45Å; H177-S181 PolarHBondContact O-OG 2.96Å |
| 178 | E | 88.6 | Confident | 86.5 | Confident | 101 Ų | 101 | 73 Ų | 73 | 47% | 0.472 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.2 | -47 | 176.7 | -70.6 | -62.6 | 115.8 | 0 | 0 | 112.1 | F174 S181 Y182 | F174-E178 HydrophobicContact CD1-CG 4.38Å; F174-E178 HydrophobicContact CE1-CG 3.97Å; F174-E178 HydrophobicContact CZ-CG 4.2Å; F174-E178 WeakPolarHBondContact O-CG 3.39Å; F174-E178 PolarHBondContact O-N 2.95Å; F174-E178 VanDerWaalsContact O-N 3.07Å; E178-S181 WeakPolarHBondContact O-CB 3.48Å; E178-S181 PolarHBondContact O-N 3.24Å; E178-Y182 PolarHBondContact O-N 3.45Å |
| 179 | R | 89.5 | Confident | 86.8 | Confident | 74 Ų | 74 | 76.1 Ų | 76.1 | 28% | 0.279 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 179.2 | -71.6 | 179.6 | -170.3 | -156.7 | 2 | 111.9 | L166 Q167 Q175 T176 S181 Y182 A183 | L166-R179 HydrophobicContact CD2-CB 4.02Å; L166-R179 VanDerWaalsContact CD2-O 3.29Å; L166-R179 WeakPolarHBondContact CD2-O 3.29Å; Q167-R179 PolarHBondContact O-NH1 3.44Å; Q175-R179 WeakPolarHBondContact O-CB 3.48Å; Q175-R179 VanDerWaalsContact O-CG 3.28Å; Q175-R179 WeakPolarHBondContact O-CG 3.29Å; Q175-R179 PolarHBondContact O-N 3.43Å; T176-R179 PolarHBondContact O-N 3.34Å; R179-S181 VanDerWaalsContact C-N 3.33Å; R179-S181 PolarHBondContact O-N 3.32Å; R179-Y182 PolarHBondContact O-N 3.2Å; R179-A183 WeakPolarHBondContact O-CB 3.47Å; R179-A183 PolarHBondContact O-N 2.88Å |
| 180 | L | 90.4 | Very high | 86.6 | Confident | 25 Ų | 25 | 78.6 Ų | 78.6 | 13% | 0.131 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 175.2 | -74 | 172.3 | 0 | 0 | 0 | 111.7 | F151 L152 L166 L168 T176 H177 A183 F184 | F151-L180 HydrophobicContact CE1-CD2 4.3Å; L152-L180 HydrophobicContact CD2-CD1 4.36Å; L152-L180 HydrophobicContact CD2-CD2 4Å; L166-L180 HydrophobicContact CD1-CD2 4.2Å; L166-L180 HydrophobicContact CD2-CD2 4.1Å; L168-L180 HydrophobicContact CD2-CD1 4.31Å; L168-L180 HydrophobicContact CD2-CD2 4.31Å; L168-L180 HydrophobicContact CD2-CG 4.23Å; T176-L180 WeakPolarHBondContact O-CB 3.47Å; T176-L180 VanDerWaalsContact O-CG 3.3Å; T176-L180 WeakPolarHBondContact O-CG 3.38Å; T176-L180 PolarHBondContact O-N 3.28Å; H177-L180 PolarHBondContact O-N 3.5Å; L180-A183 PolarHBondContact O-N 3.08Å; L180-F184 WeakPolarHBondContact O-CB 3.5Å; L180-F184 PolarHBondContact O-N 2.92Å |
| 181 | S | 90.6 | Very high | 86.1 | Confident | 21 Ų | 21 | 74 Ų | 74 | 15% | 0.147 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.2 | -44 | 177.7 | -62.5 | 0 | 0 | 0 | 0 | 112 | P129 H177 E178 R179 T185 | P129-S181 WeakPolarHBondContact CB-OG 3.47Å; H177-S181 PolarHBondContact CE1-OG 3.18Å; H177-S181 VanDerWaalsContact O-CB 3.26Å; H177-S181 WeakPolarHBondContact O-CB 3.37Å; H177-S181 PolarHBondContact O-N 3.45Å; H177-S181 PolarHBondContact O-OG 2.96Å; E178-S181 WeakPolarHBondContact O-CB 3.48Å; E178-S181 PolarHBondContact O-N 3.24Å; R179-S181 VanDerWaalsContact C-N 3.33Å; R179-S181 PolarHBondContact O-N 3.32Å; S181-T185 WeakPolarHBondContact O-CB 3.47Å; S181-T185 PolarHBondContact O-N 3.23Å; S181-T185 PolarHBondContact O-OG1 3.2Å |
| 182 | Y | 89.7 | Confident | 85 | Confident | 162 Ų | 162 | 74.8 Ų | 74.8 | 64% | 0.635 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -62.9 | -51 | 175.3 | 177.8 | -99.3 | 0 | 0 | 0 | 111.8 | E178 R179 F184 T185 A186 | E178-Y182 PolarHBondContact O-N 3.45Å; R179-Y182 PolarHBondContact O-N 3.2Å; Y182-F184 VanDerWaalsContact C-N 3.34Å; Y182-F184 PolarHBondContact O-N 3.36Å; Y182-T185 WeakPolarHBondContact O-CB 3.47Å; Y182-T185 PolarHBondContact O-N 3.17Å; Y182-A186 PolarHBondContact O-N 2.95Å |
| 183 | A | 90 | Very high | 83.3 | Confident | 2 Ų | 2 | 75.3 Ų | 75.3 | 2% | 0.017 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.2 | -38 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F151 L166 R179 L180 T185 A186 W187 | F151-A183 HydrophobicContact CE2-CB 4.39Å; F151-A183 HydrophobicContact CZ-CB 3.76Å; L166-A183 HydrophobicContact CD1-CB 3.78Å; L166-A183 HydrophobicContact CD2-CB 3.49Å; L166-A183 VanDerWaalsContact CD2-CB 3.49Å; L166-A183 HydrophobicContact CG-CB 3.63Å; R179-A183 WeakPolarHBondContact O-CB 3.47Å; R179-A183 PolarHBondContact O-N 2.88Å; L180-A183 PolarHBondContact O-N 3.08Å; A183-T185 VanDerWaalsContact C-N 3.34Å; A183-A186 PolarHBondContact O-N 3Å; A183-W187 VanDerWaalsContact O-CB 3.27Å; A183-W187 WeakPolarHBondContact O-CB 3.41Å; A183-W187 PolarHBondContact O-N 3.04Å |
| 184 | F | 91.1 | Very high | 81.5 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 174.4 | 179.8 | -116.6 | 0 | 0 | 0 | 111.6 | P129 L144 R147 Y148 F151 L180 Y182 W187 R188 | P129-F184 HydrophobicContact CB-CD1 3.97Å; P129-F184 HydrophobicContact CG-CD1 4.37Å; L144-F184 HydrophobicContact CD1-CE1 3.89Å; L144-F184 HydrophobicContact CD1-CZ 3.78Å; L144-F184 HydrophobicContact CG-CE1 4.41Å; L144-F184 HydrophobicContact CG-CZ 4.43Å; R147-F184 HydrophobicContact CB-CZ 4.48Å; Y148-F184 HydrophobicContact CD2-CB 4.36Å; Y148-F184 HydrophobicContact CD2-CD1 4.16Å; Y148-F184 AromaticContact CD2-CD2 3.71Å; Y148-F184 HydrophobicContact CD2-CD2 3.71Å; Y148-F184 HydrophobicContact CD2-CE1 4.32Å; Y148-F184 AromaticContact CD2-CE2 3.92Å; Y148-F184 HydrophobicContact CD2-CE2 3.92Å; Y148-F184 AromaticContact CD2-CG 3.81Å; Y148-F184 HydrophobicContact CD2-CG 3.81Å; Y148-F184 HydrophobicContact CD2-CZ 4.2Å; Y148-F184 HydrophobicContact CE2-CB 4.34Å; Y148-F184 HydrophobicContact CE2-CD2 4.47Å; Y148-F184 HydrophobicContact CE2-CG 4.26Å; Y148-F184 HydrophobicContact CG-CE2 4.45Å; Y148-F184 HydrophobicContact CG-CZ 4.45Å; F151-F184 HydrophobicContact CB-CD2 3.72Å; F151-F184 HydrophobicContact CB-CE2 3.99Å; F151-F184 HydrophobicContact CD1-CB 3.96Å; F151-F184 AromaticContact CD1-CD2 3.67Å; F151-F184 HydrophobicContact CD1-CD2 3.67Å; F151-F184 HydrophobicContact CD1-CG 4.23Å; F151-F184 HydrophobicContact CD2-CD2 4.26Å; F151-F184 HydrophobicContact CE1-CB 3.78Å; F151-F184 HydrophobicContact CE1-CD2 4.35Å; F151-F184 HydrophobicContact CG-CB 4.48Å; F151-F184 AromaticContact CG-CD2 3.61Å; F151-F184 HydrophobicContact CG-CD2 3.61Å; F151-F184 HydrophobicContact CG-CE2 4.38Å; F151-F184 HydrophobicContact CZ-CB 4.15Å; L180-F184 WeakPolarHBondContact O-CB 3.5Å; L180-F184 PolarHBondContact O-N 2.92Å; Y182-F184 VanDerWaalsContact C-N 3.34Å; Y182-F184 PolarHBondContact O-N 3.36Å; F184-W187 AromaticContact CD2-CE3 3.96Å; F184-W187 HydrophobicContact CD2-CE3 3.96Å; F184-W187 HydrophobicContact CD2-CZ3 4.42Å; F184-W187 AromaticContact CE2-CE3 3.87Å; F184-W187 HydrophobicContact CE2-CE3 3.87Å; F184-W187 AromaticContact CE2-CZ3 3.9Å; F184-W187 HydrophobicContact CE2-CZ3 3.9Å; F184-W187 PolarHBondContact O-N 3.1Å; F184-R188 VanDerWaalsContact O-CB 3.26Å; F184-R188 WeakPolarHBondContact O-CB 3.43Å; F184-R188 PolarHBondContact O-N 3.14Å |
| 185 | T | 88.9 | Confident | 79.5 | Confident | 39 Ų | 39 | 65.4 Ų | 65.4 | 24% | 0.239 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.1 | -47.8 | 175.6 | -59.7 | 0 | 0 | 0 | 0 | 110.5 | S181 Y182 A183 R188 M189 | S181-T185 WeakPolarHBondContact O-CB 3.47Å; S181-T185 PolarHBondContact O-N 3.23Å; S181-T185 PolarHBondContact O-OG1 3.2Å; Y182-T185 WeakPolarHBondContact O-CB 3.47Å; Y182-T185 PolarHBondContact O-N 3.17Å; A183-T185 VanDerWaalsContact C-N 3.34Å; T185-R188 PolarHBondContact O-N 3.32Å; T185-M189 VanDerWaalsContact O-CG 3.29Å; T185-M189 WeakPolarHBondContact O-CG 3.06Å; T185-M189 PolarHBondContact O-N 3.17Å; T185-M189 VanDerWaalsContact O-N 3.13Å |
| 186 | A | 86.6 | Confident | 77.4 | Confident | 48 Ų | 48 | 66.2 Ų | 66.2 | 40% | 0.397 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.6 | -48.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y182 A183 R188 M189 E190 | Y182-A186 PolarHBondContact O-N 2.95Å; A183-A186 PolarHBondContact O-N 3Å; A186-R188 VanDerWaalsContact C-N 3.28Å; A186-R188 PolarHBondContact O-N 2.78Å; A186-M189 PolarHBondContact O-N 2.83Å; A186-M189 VanDerWaalsContact O-N 3.1Å; A186-E190 PolarHBondContact O-N 3.38Å |
| 187 | W | 87.4 | Confident | 75.6 | Confident | 24 Ų | 24 | 69 Ų | 69 | 9% | 0.091 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.5 | -36.8 | 178.2 | -179.4 | 80.6 | 0 | 0 | 0 | 112.6 | R147 F151 K154 Y163 A183 F184 M189 N191 | R147-W187 HydrophobicContact CB-CZ3 4.21Å; F151-W187 HydrophobicContact CB-CD2 4.13Å; F151-W187 HydrophobicContact CB-CE3 3.92Å; F151-W187 HydrophobicContact CB-CH2 4.31Å; F151-W187 HydrophobicContact CB-CZ3 4.02Å; F151-W187 HydrophobicContact CD2-CB 3.78Å; F151-W187 AromaticContact CD2-CD2 3.71Å; F151-W187 HydrophobicContact CD2-CD2 3.71Å; F151-W187 HydrophobicContact CD2-CE3 4.13Å; F151-W187 AromaticContact CD2-CG 3.54Å; F151-W187 HydrophobicContact CD2-CG 3.54Å; F151-W187 HydrophobicContact CE2-CB 3.83Å; F151-W187 HydrophobicContact CE2-CG 4.04Å; F151-W187 HydrophobicContact CG-CD2 4.32Å; F151-W187 HydrophobicContact CG-CE3 4.34Å; K154-W187 HydrophobicContact CD-CZ2 4.25Å; Y163-W187 HydrophobicContact CE1-CB 4.41Å; Y163-W187 AromaticContact CE1-CD1 3.87Å; Y163-W187 HydrophobicContact CE1-CG 4.42Å; Y163-W187 AromaticContact CZ-CD1 3.97Å; Y163-W187 PolarHBondContact OH-NE1 3.3Å; A183-W187 VanDerWaalsContact O-CB 3.27Å; A183-W187 WeakPolarHBondContact O-CB 3.41Å; A183-W187 PolarHBondContact O-N 3.04Å; F184-W187 AromaticContact CD2-CE3 3.96Å; F184-W187 HydrophobicContact CD2-CE3 3.96Å; F184-W187 HydrophobicContact CD2-CZ3 4.42Å; F184-W187 AromaticContact CE2-CE3 3.87Å; F184-W187 HydrophobicContact CE2-CE3 3.87Å; F184-W187 AromaticContact CE2-CZ3 3.9Å; F184-W187 HydrophobicContact CE2-CZ3 3.9Å; F184-W187 PolarHBondContact O-N 3.1Å; W187-M189 VanDerWaalsContact C-N 3.35Å; W187-N191 VanDerWaalsContact CD1-ND2 3.35Å; W187-N191 VanDerWaalsContact CE2-ND2 3.27Å; W187-N191 PolarHBondContact NE1-ND2 3.31Å; W187-N191 VanDerWaalsContact NE1-ND2 3.14Å; W187-N191 WeakPolarHBondContact O-CB 3.46Å; W187-N191 PolarHBondContact O-N 3.1Å; W187-N191 PolarHBondContact O-ND2 3.25Å |
| 188 | R | 86.8 | Confident | 73.5 | Confident | 35 Ų | 35 | 69.9 Ų | 69.9 | 13% | 0.132 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -67.7 | -35.6 | 176.8 | -173.3 | 176.8 | 72.8 | 172.6 | 3.3 | 112 | D134 F184 T185 A186 A192 | D134-R188 IonicContact OD2-NH1 3.59Å; D134-R188 IonicContact OD2-NH2 3.89Å; F184-R188 VanDerWaalsContact O-CB 3.26Å; F184-R188 WeakPolarHBondContact O-CB 3.43Å; F184-R188 PolarHBondContact O-N 3.14Å; T185-R188 PolarHBondContact O-N 3.32Å; A186-R188 VanDerWaalsContact C-N 3.28Å; A186-R188 PolarHBondContact O-N 2.78Å; R188-A192 PolarHBondContact O-N 3.4Å; R188-A192 VanDerWaalsContact O-N 3.17Å |
| 189 | M | 80 | Confident | 71.1 | Confident | 128 Ų | 128 | 70.6 Ų | 70.6 | 63% | 0.631 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -74.8 | -37.7 | 179.3 | -63.2 | -58.4 | -77.3 | 0 | 0 | 111.8 | T185 A186 W187 N191 A192 | T185-M189 VanDerWaalsContact O-CG 3.29Å; T185-M189 WeakPolarHBondContact O-CG 3.06Å; T185-M189 PolarHBondContact O-N 3.17Å; T185-M189 VanDerWaalsContact O-N 3.13Å; A186-M189 PolarHBondContact O-N 2.83Å; A186-M189 VanDerWaalsContact O-N 3.1Å; W187-M189 VanDerWaalsContact C-N 3.35Å; M189-N191 VanDerWaalsContact C-N 3.3Å; M189-N191 PolarHBondContact O-N 2.97Å; M189-A192 WeakPolarHBondContact O-CB 3.46Å; M189-A192 PolarHBondContact O-N 2.91Å |
| 190 | E | 73.5 | Confident | 68.7 | Low | 138 Ų | 138 | 72.7 Ų | 72.7 | 65% | 0.645 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -68.2 | -29.5 | 176.4 | -172.4 | 175.1 | -168.7 | 0 | 0 | 112.9 | A186 N193 | A186-E190 PolarHBondContact O-N 3.38Å; E190-N193 PolarHBondContact O-ND2 3.27Å; E190-N193 VanDerWaalsContact O-ND2 3.12Å; E190-N193 PolarHBondContact O-OD1 3.34Å |
| 191 | N | 69.2 | Low | 66.3 | Low | 76 Ų | 76 | 76.3 Ų | 76.3 | 41% | 0.406 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 9.4 | 178.3 | -63.7 | -64.1 | 0 | 0 | 0 | 113.6 | W187 M189 N193 | W187-N191 VanDerWaalsContact CD1-ND2 3.35Å; W187-N191 VanDerWaalsContact CE2-ND2 3.27Å; W187-N191 PolarHBondContact NE1-ND2 3.31Å; W187-N191 VanDerWaalsContact NE1-ND2 3.14Å; W187-N191 WeakPolarHBondContact O-CB 3.46Å; W187-N191 PolarHBondContact O-N 3.1Å; W187-N191 PolarHBondContact O-ND2 3.25Å; M189-N191 VanDerWaalsContact C-N 3.3Å; M189-N191 PolarHBondContact O-N 2.97Å; N191-N193 PolarHBondContact O-N 3.25Å; N191-N193 VanDerWaalsContact O-N 3.17Å |
| 192 | A | 60.4 | Low | 64.1 | Low | 41 Ų | 41 | 81.9 Ų | 81.9 | 34% | 0.339 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -68.2 | -11.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R188 M189 G194 C195 | R188-A192 PolarHBondContact O-N 3.4Å; R188-A192 VanDerWaalsContact O-N 3.17Å; M189-A192 WeakPolarHBondContact O-CB 3.46Å; M189-A192 PolarHBondContact O-N 2.91Å; A192-G194 PolarHBondContact O-N 3.36Å; A192-C195 PolarHBondContact O-N 3.04Å |
| 193 | N | 52.8 | Low | 61.6 | Low | 149 Ų | 149 | 77.3 Ų | 77.3 | 80% | 0.797 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -58.7 | -12.1 | -179.1 | -35.2 | -13 | 0 | 0 | 0 | 113.4 | E190 N191 | E190-N193 PolarHBondContact O-ND2 3.27Å; E190-N193 VanDerWaalsContact O-ND2 3.12Å; E190-N193 PolarHBondContact O-OD1 3.34Å; N191-N193 PolarHBondContact O-N 3.25Å; N191-N193 VanDerWaalsContact O-N 3.17Å |
| 194 | G | 48.7 | Very low | 59.5 | Low | 71 Ų | 71 | 82.8 Ų | 82.8 | 73% | 0.732 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -117.5 | -2.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | A192 | A192-G194 PolarHBondContact O-N 3.36Š|
| 195 | C | 45.1 | Very low | 56.8 | Low | 70 Ų | 70 | 86.1 Ų | 86.1 | 47% | 0.473 | 57% | 0.573 | S | S | . | * | trans | -163.5 | 99.5 | 178.1 | -149.5 | 0 | 0 | 0 | 0 | 110.9 | A192 W197 | A192-C195 PolarHBondContact O-N 3.04Å; C195-W197 PolarHBondContact O-N 3.04Å | ||
| 196 | C | 43.6 | Very low | 54.7 | Low | 105 Ų | 105 | 93.3 Ų | 93.3 | 71% | 0.709 | 60% | 0.604 | S | S | * | * | trans | -71.9 | 105 | 170.3 | -52 | 0 | 0 | 0 | 0 | 108.5 | G198 | C196-G198 VanDerWaalsContact C-N 3.26Å; C196-G198 PolarHBondContact O-N 2.92Å | ||
| 197 | W | 47.4 | Very low | 52.4 | Low | 83 Ų | 83 | 96.1 Ų | 96.1 | 31% | 0.314 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -76.3 | 81.7 | 172.7 | -68.4 | 66.9 | 0 | 0 | 0 | 108.7 | Q140 R143 C195 | Q140-W197 HydrophobicContact CB-CE3 4.37Å; Q140-W197 HydrophobicContact CB-CZ3 3.66Å; Q140-W197 HydrophobicContact CG-CE3 3.89Å; Q140-W197 HydrophobicContact CG-CZ3 3.6Å; R143-W197 HydrophobicContact CB-CH2 3.28Å; R143-W197 HydrophobicContact CB-CZ2 3.8Å; R143-W197 HydrophobicContact CB-CZ3 4.3Å; R143-W197 HydrophobicContact CG-CH2 4.29Å; C195-W197 PolarHBondContact O-N 3.04Å |
| 198 | G | 42.3 | Very low | 50.4 | Low | 76 Ų | 76 | 103 Ų | 103 | 78% | 0.784 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 98.6 | 10.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | C196 | C196-G198 VanDerWaalsContact C-N 3.26Å; C196-G198 PolarHBondContact O-N 2.92Å |
| 199 | T | 39 | Very low | 48.5 | Very low | 115 Ų | 115 | 109.8 Ų | 109.8 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | trans | -90.7 | 116.6 | 167.8 | -44.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 200 | T | 40.2 | Very low | 46.9 | Very low | 119 Ų | 119 | 115.2 Ų | 115.2 | 73% | 0.73 | 71% | 0.705 | S | S | * | * | trans | -30.8 | 133.2 | 173.4 | 50.2 | 0 | 0 | 0 | 0 | 113.2 | T202 | T200-T202 PolarHBondContact O-N 3.11Š| ||
| 201 | A | 39.5 | Very low | 46 | Very low | 101 Ų | 101 | 116.6 Ų | 116.6 | 84% | 0.835 | 71% | 0.712 | S | S | * | * | trans | -36.2 | 106.5 | 169 | 0 | 0 | 0 | 0 | 0 | 111 | G203 | A201-G203 PolarHBondContact O-N 3.47Š| ||
| 202 | T | 43.9 | Very low | 44.6 | Very low | 137 Ų | 137 | 122.4 Ų | 122.4 | 84% | 0.84 | 74% | 0.737 | S | S | * | * | trans | -67.7 | 83.9 | 154.9 | 46.6 | 0 | 0 | 0 | 0 | 105.4 | T200 S204 | T200-T202 PolarHBondContact O-N 3.11Å; T202-S204 VanDerWaalsContact C-N 3.3Å; T202-S204 PolarHBondContact O-N 3.14Å | ||
| 203 | G | 38.3 | Very low | 43.9 | Very low | 66 Ų | 66 | 125.3 Ų | 125.3 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | trans | -61.5 | 97.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | A201 G205 | A201-G203 PolarHBondContact O-N 3.47Å; G203-G205 PolarHBondContact O-N 2.95Å | ||
| 204 | S | 43.8 | Very low | 43.4 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -49.6 | 120.2 | 154 | 48.5 | 0 | 0 | 0 | 0 | 107.5 | T202 | T202-S204 VanDerWaalsContact C-N 3.3Å; T202-S204 PolarHBondContact O-N 3.14Å | ||
| 205 | G | 35 | Very low | 43.5 | Very low | 71 Ų | 71 | 125.2 Ų | 125.2 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | trans | -60 | 141.7 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G203 | G203-G205 PolarHBondContact O-N 2.95Š| ||
| 206 | Q | 45.7 | Very low | 43.5 | Very low | 190 Ų | 190 | 126.9 Ų | 126.9 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | -139.8 | 122.5 | 143 | -79.1 | -169.9 | -6 | 0 | 0 | 108.7 | ||||
| 207 | S | 37.1 | Very low | 44 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -39 | 132.8 | 167.6 | 46.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 208 | N | 46.7 | Very low | 43.8 | Very low | 168 Ų | 168 | 133 Ų | 133 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | trans | -150.2 | 101.5 | 143.8 | -100.8 | -34.5 | 0 | 0 | 0 | 110.9 | R210 | N208-R210 PolarHBondContact O-N 3.12Š| ||
| 209 | Q | 46.5 | Very low | 44.2 | Very low | 177 Ų | 177 | 136 Ų | 136 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | trans | -71.9 | 101.5 | 172.7 | -173.6 | 172.8 | 30.1 | 0 | 0 | 108.3 | ||||
| 210 | R | 46.1 | Very low | 44.8 | Very low | 242 Ų | 242 | 134.6 Ų | 134.6 | 91% | 0.913 | 81% | 0.814 | S | S | * | * | trans | -102.8 | 106.3 | 168.6 | -164.4 | 172 | 172.1 | -157.6 | -3.3 | 109.2 | N208 | N208-R210 PolarHBondContact O-N 3.12Š| ||
| 211 | Q | 55 | Low | 44.9 | Very low | 168 Ų | 168 | 136.3 Ų | 136.3 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | trans | -61.2 | 139.1 | -177.5 | -62.9 | 169.3 | 27.3 | 0 | 0 | 111.2 | ||||
| 212 | Q | 39.3 | Very low | 45.1 | Very low | 198 Ų | 198 | 139.3 Ų | 139.3 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | trans | -83.2 | 123.9 | 170.1 | -64.4 | 171.6 | 17.1 | 0 | 0 | 108 | ||||
| 213 | A | 46.1 | Very low | 44.9 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -136.3 | 116.9 | 162 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 214 | G | 41.6 | Very low | 45.7 | Very low | 77 Ų | 77 | 138.7 Ų | 138.7 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | -77.3 | 149.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 215 | V | 51.7 | Low | 46.1 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -135.7 | 118.4 | 150.4 | 177.3 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 216 | S | 44.7 | Very low | 46.8 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | -77.7 | 136.5 | 170.6 | -64.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 217 | D | 54.1 | Low | 46.9 | Very low | 159 Ų | 159 | 143.2 Ų | 143.2 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -155.8 | 123 | 140.5 | -89 | -38.7 | 0 | 0 | 0 | 109.4 | ||||
| 218 | N | 44.3 | Very low | 47.4 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | -60.5 | 140.6 | 168.6 | -78.9 | -74.9 | 0 | 0 | 0 | 109.2 | ||||
| 219 | V | 50.1 | Low | 47.6 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | -176.5 | 124.5 | 137 | 146.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 220 | A | 51.1 | Low | 47.7 | Very low | 85 Ų | 85 | 139.7 Ų | 139.7 | 70% | 0.702 | 77% | 0.772 | S | S | * | * | trans | 46.5 | 110.7 | 150.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | N222 | A220-N222 PolarHBondContact O-N 2.78Š| ||
| 221 | N | 43.4 | Very low | 47.8 | Very low | 154 Ų | 154 | 135 Ų | 135 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -25.2 | 121.5 | 137.4 | -94.6 | -48.4 | 0 | 0 | 0 | 112.2 | ||
| 222 | N | 42.4 | Very low | 47.9 | Very low | 164 Ų | 164 | 132.1 Ų | 132.1 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | trans | 149.2 | 88.3 | 153.5 | -75.6 | -32.5 | 0 | 0 | 0 | 108.2 | A220 | A220-N222 PolarHBondContact O-N 2.78Š| ||
| 223 | G | 39.8 | Very low | 48.3 | Very low | 53 Ų | 53 | 129.4 Ų | 129.4 | 55% | 0.546 | 75% | 0.75 | S | S | . | * | trans | -174.8 | 38.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 224 | V | 55.2 | Low | 48.5 | Very low | 138 Ų | 138 | 129.8 Ų | 129.8 | 84% | 0.836 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -102 | 0.2 | 172.5 | -170.1 | 0 | 0 | 0 | 0 | 112 | ||
| 225 | Q | 52 | Low | 49.2 | Very low | 147 Ų | 147 | 132.6 Ų | 132.6 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -111.1 | -14.2 | -177.8 | -71 | -78.6 | -4.2 | 0 | 0 | 114.3 | ||
| 226 | D | 49.1 | Very low | 49.2 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 57% | 0.567 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -95.6 | -4.5 | -175.1 | -82.4 | -47.5 | 0 | 0 | 0 | 115.6 | ||
| 227 | R | 49.4 | Very low | 49.3 | Very low | 219 Ų | 219 | 130.4 Ų | 130.4 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -89.5 | -5.9 | 176.2 | -66.6 | -172.7 | 71.9 | -155 | 1.8 | 114.6 | ||
| 228 | L | 46.7 | Very low | 49 | Very low | 137 Ų | 137 | 128.8 Ų | 128.8 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -100.6 | -5.5 | 176.6 | -85 | 159.4 | 0 | 0 | 0 | 113.8 | ||
| 229 | K | 50.9 | Low | 49.3 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 55% | 0.552 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -88.4 | -24.2 | 178.1 | -66.4 | 179.6 | -176.2 | 173 | 0 | 113.5 | I231 T232 | K229-I231 VanDerWaalsContact C-N 3.31Å; K229-I231 PolarHBondContact O-N 3.41Å; K229-T232 PolarHBondContact O-OG1 3Å |
| 230 | T | 49.4 | Very low | 49.2 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -13.3 | -177.3 | -42 | 0 | 0 | 0 | 0 | 114.4 | ||
| 231 | I | 48 | Very low | 49.1 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -13.9 | -178.5 | -60.4 | 175 | 0 | 0 | 0 | 111.9 | K229 | K229-I231 VanDerWaalsContact C-N 3.31Å; K229-I231 PolarHBondContact O-N 3.41Å |
| 232 | T | 56.8 | Low | 49.2 | Very low | 109 Ų | 109 | 129.6 Ų | 129.6 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -97.5 | -5.3 | -175 | 10.9 | 0 | 0 | 0 | 0 | 115.5 | K229 | K229-T232 PolarHBondContact O-OG1 3Š|
| 233 | D | 46.7 | Very low | 49.4 | Very low | 140 Ų | 140 | 126.5 Ų | 126.5 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -100.9 | 13.5 | -173.6 | -86.2 | -53.4 | 0 | 0 | 0 | 115.5 | ||
| 234 | S | 52.2 | Low | 49.6 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -112 | 10.2 | 180 | -164.7 | 0 | 0 | 0 | 0 | 115.5 | ||
| 235 | V | 55.7 | Low | 49.2 | Very low | 136 Ų | 136 | 131 Ų | 131 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | trans | -132.6 | 64.7 | 177.2 | -170.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 236 | V | 51.7 | Low | 49.3 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | trans | -123.9 | 85.8 | 164.6 | 178 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 237 | G | 47.1 | Very low | 49.4 | Very low | 62 Ų | 62 | 134.8 Ų | 134.8 | 64% | 0.639 | 76% | 0.764 | S | S | * | * | trans | -125.1 | 99.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 238 | T | 47.9 | Very low | 49.2 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | 50.7 | 108.6 | 159.7 | 58.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 239 | L | 49.8 | Very low | 49.5 | Very low | 154 Ų | 154 | 127.9 Ų | 127.9 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | 164.8 | 122.6 | 113.2 | -79.4 | 166.6 | 0 | 0 | 0 | 111.9 | |||||
| 240 | D | 47.9 | Very low | 49.4 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | 61.2 | 120.8 | 154.9 | -56.9 | -26.9 | 0 | 0 | 0 | 123.6 | V242 | D240-V242 PolarHBondContact O-N 3.36Š| ||
| 241 | P | 48.7 | Very low | 49.7 | Very low | 126 Ų | 126 | 135 Ų | 135 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -96.5 | 88.9 | -173.6 | 37.8 | -31.5 | 0 | 0 | 0 | 112.1 | ||||
| 242 | V | 46 | Very low | 49.8 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | -143.3 | 122.9 | 163.3 | -171.9 | 0 | 0 | 0 | 0 | 108.7 | D240 | D240-V242 PolarHBondContact O-N 3.36Š| ||
| 243 | S | 47.5 | Very low | 49.5 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | trans | 89 | 59.3 | 174.8 | -50.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 244 | L | 43.1 | Very low | 49.3 | Very low | 166 Ų | 166 | 139 Ų | 139 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | trans | -131.1 | 56.7 | 149.4 | -72.6 | 178.9 | 0 | 0 | 0 | 110.6 | ||||
| 245 | S | 47.4 | Very low | 49.1 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | trans | -96.1 | 15.8 | 166.8 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 246 | F | 53.2 | Low | 48.8 | Very low | 193 Ų | 193 | 140.7 Ų | 140.7 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | trans | -118.7 | 7.7 | -171.6 | -154.1 | -101.2 | 0 | 0 | 0 | 115.9 | ||||
| 247 | V | 51.7 | Low | 48.6 | Very low | 138 Ų | 138 | 140.8 Ų | 140.8 | 84% | 0.836 | 82% | 0.824 | S | S | * | * | trans | -106.8 | 72 | 174.4 | -172.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 248 | S | 44.8 | Very low | 48.7 | Very low | 109 Ų | 109 | 145.5 Ų | 145.5 | 76% | 0.762 | 84% | 0.835 | S | S | * | * | trans | -152.4 | 132.1 | 159.7 | -168.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 249 | S | 52.6 | Low | 48.8 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 72% | 0.72 | 84% | 0.839 | S | S | * | * | trans | 92.5 | 81.5 | 179.6 | -39.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 250 | Y | 48.3 | Very low | 48.7 | Very low | 240 Ų | 240 | 146.2 Ų | 146.2 | 94% | 0.941 | 84% | 0.841 | S | S | * | * | trans | -157.5 | 75.2 | 135.1 | -109.8 | -79.5 | 0 | 0 | 0 | 108.4 | ||||
| 251 | T | 56.5 | Low | 48.8 | Very low | 149 Ų | 149 | 146.6 Ų | 146.6 | 91% | 0.914 | 85% | 0.848 | S | S | * | * | trans | -106.9 | 98.9 | 155.8 | 56.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 252 | G | 51 | Low | 48.8 | Very low | 67 Ų | 67 | 148.2 Ų | 148.2 | 69% | 0.691 | 85% | 0.85 | S | S | * | * | trans | -122.6 | 120.5 | 174 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 253 | S | 50.8 | Low | 49 | Very low | 129 Ų | 129 | 149.6 Ų | 149.6 | 90% | 0.902 | 85% | 0.854 | S | S | * | * | trans | -48.3 | 137 | -179.3 | -64.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 254 | F | 41.2 | Very low | 49.1 | Very low | 281 Ų | 281 | 154.2 Ų | 154.2 | 100% | 1.232 | 87% | 0.869 | S | S | * | * | trans | -139.3 | 0 | 141.7 | -154.6 | -88.4 | 0 | 0 | 0 | 107.8 |
Retrieved 254 of 254 residues in 239.8 ms
(Link to these results)