| 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 | 35.6 | Very low | 36.5 | Very low | 246 Ų | 246 | 145.5 Ų | 145.5 | 100% | 1.212 | 86% | 0.861 | S | S | * | * | 0 | 127.1 | 0 | -64.9 | -170.9 | -99 | 0 | 0 | 107.7 | |||||
| 2 | A | 32.2 | Very low | 36.5 | Very low | 103 Ų | 103 | 145.3 Ų | 145.3 | 85% | 0.851 | 85% | 0.852 | S | S | * | * | cis | 177.6 | 142.9 | -11.7 | 0 | 0 | 0 | 0 | 0 | 103.2 | ||||
| 3 | A | 34.3 | Very low | 36.9 | Very low | 94 Ų | 94 | 142.8 Ų | 142.8 | 78% | 0.777 | 85% | 0.847 | S | S | * | * | cis | -153.4 | 145.6 | -7.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 4 | S | 39.3 | Very low | 37.3 | Very low | 118 Ų | 118 | 143.9 Ų | 143.9 | 83% | 0.825 | 84% | 0.844 | S | S | * | * | trans | -78.7 | 123.8 | 169.6 | 51.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 5 | L | 38.8 | Very low | 37.1 | Very low | 177 Ų | 177 | 140.5 Ų | 140.5 | 93% | 0.927 | 84% | 0.839 | S | S | * | * | trans | -97 | 104.2 | 171.1 | -84 | 162.2 | 0 | 0 | 0 | 110.5 | ||||
| 6 | S | 35.5 | Very low | 37.5 | Very low | 95 Ų | 95 | 142.1 Ų | 142.1 | 66% | 0.664 | 84% | 0.841 | S | S | * | * | trans | -62.7 | 128.1 | 168.1 | 157.1 | 0 | 0 | 0 | 0 | 110.7 | R8 | S6-R8 PolarHBondContact O-N 3.34Š| ||
| 7 | C | 35.7 | Very low | 37.4 | Very low | 134 Ų | 134 | 139.6 Ų | 139.6 | 91% | 0.905 | 84% | 0.84 | S | S | * | * | trans | -69.8 | 103.8 | 167.1 | -70.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 8 | R | 34.5 | Very low | 37.7 | Very low | 226 Ų | 226 | 144.6 Ų | 144.6 | 85% | 0.853 | 84% | 0.842 | S | S | * | * | trans | -97.8 | 110.4 | 159.6 | -90.1 | -177.3 | 168 | 179 | -3.2 | 108.6 | S6 V10 | S6-R8 PolarHBondContact O-N 3.34Å; R8-V10 PolarHBondContact O-N 3.18Å | ||
| 9 | G | 41.8 | Very low | 37.6 | Very low | 80 Ų | 80 | 144.9 Ų | 144.9 | 83% | 0.825 | 85% | 0.846 | S | S | * | * | trans | -65.4 | 119.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 10 | V | 34.1 | Very low | 37.4 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 75% | 0.745 | 84% | 0.836 | S | S | * | * | trans | -92 | 109.5 | 167.7 | 178.6 | 0 | 0 | 0 | 0 | 107.3 | R8 L12 | R8-V10 PolarHBondContact O-N 3.18Å; V10-L12 HydrophobicContact CG1-CD1 4.38Å; V10-L12 PolarHBondContact O-N 3.42Å | ||
| 11 | K | 40.2 | Very low | 37.9 | Very low | 205 Ų | 205 | 141.2 Ų | 141.2 | 89% | 0.891 | 84% | 0.839 | S | S | * | * | trans | -72.1 | 115.3 | 164.7 | -72.9 | -178 | 177.2 | 179 | 0 | 107.5 | ||||
| 12 | L | 35.7 | Very low | 38 | Very low | 143 Ų | 143 | 134 Ų | 134 | 75% | 0.749 | 81% | 0.813 | S | S | * | * | trans | -107.5 | 100.6 | 167.8 | -118.2 | 147.2 | 0 | 0 | 0 | 107.8 | V10 I14 | V10-L12 HydrophobicContact CG1-CD1 4.38Å; V10-L12 PolarHBondContact O-N 3.42Å; L12-I14 PolarHBondContact O-N 3.5Å | ||
| 13 | S | 41.7 | Very low | 38.8 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | -63.9 | 120.7 | 167.5 | 46 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 14 | I | 42.6 | Very low | 39.1 | Very low | 158 Ų | 158 | 138 Ų | 138 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -114.4 | 119.3 | 168.7 | -65.8 | 175.3 | 0 | 0 | 0 | 107.6 | L12 | L12-I14 PolarHBondContact O-N 3.5Š| ||
| 15 | A | 34.8 | Very low | 39.4 | Very low | 93 Ų | 93 | 138.9 Ų | 138.9 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -65.1 | 143.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A17 | A15-A17 PolarHBondContact O-N 3.07Š| ||
| 16 | L | 43.1 | Very low | 39.8 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | -64.6 | 121.7 | 165.9 | -97.3 | 131.6 | 0 | 0 | 0 | 110 | ||||
| 17 | A | 35.6 | Very low | 40.7 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | -127.8 | 105.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | A15 | A15-A17 PolarHBondContact O-N 3.07Š| ||
| 18 | R | 44 | Very low | 41.7 | Very low | 230 Ų | 230 | 134 Ų | 134 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | trans | -73.2 | 130.2 | 160.1 | -85.3 | -178.3 | 166.8 | 142.1 | -3.7 | 107.4 | ||||
| 19 | V | 35.5 | Very low | 42.9 | Very low | 151 Ų | 151 | 128.8 Ų | 128.8 | 92% | 0.915 | 79% | 0.786 | S | S | * | * | trans | 179.4 | 136.5 | 133.5 | 162.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 20 | G | 32.6 | Very low | 43.8 | Very low | 63 Ų | 63 | 136.3 Ų | 136.3 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | trans | 108.2 | 95.5 | 150.7 | 0 | 0 | 0 | 0 | 0 | 116 | S22 | G20-S22 PolarHBondContact O-N 3.18Š| ||
| 21 | T | 47.8 | Very low | 45.4 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 91% | 0.908 | 79% | 0.792 | S | S | * | * | trans | -52.7 | 113.4 | 160.4 | 42.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 22 | S | 38.2 | Very low | 46.5 | Very low | 96 Ų | 96 | 134.1 Ų | 134.1 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | trans | -157.9 | 128.9 | 143.6 | 67.5 | 0 | 0 | 0 | 0 | 108.3 | G20 C24 | G20-S22 PolarHBondContact O-N 3.18Å; S22-C24 VanDerWaalsContact C-N 3.3Å; S22-C24 PolarHBondContact O-N 3.44Å | ||
| 23 | I | 49.2 | Very low | 47.5 | Very low | 172 Ų | 172 | 134.9 Ų | 134.9 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | trans | -71.1 | 91.2 | 174.2 | -65.6 | 165.9 | 0 | 0 | 0 | 106.3 | ||||
| 24 | C | 40.2 | Very low | 48.8 | Very low | 107 Ų | 107 | 136 Ų | 136 | 72% | 0.723 | 79% | 0.789 | S | S | * | * | trans | -83.1 | 115.7 | 164.2 | 35.6 | 0 | 0 | 0 | 0 | 107.7 | S22 N26 | S22-C24 VanDerWaalsContact C-N 3.3Å; S22-C24 PolarHBondContact O-N 3.44Å; C24-N26 PolarHBondContact O-N 3.27Å | ||
| 25 | V | 46.5 | Very low | 50.2 | Low | 137 Ų | 137 | 132.5 Ų | 132.5 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | -50.1 | 107.8 | 177 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | S27 | V25-S27 PolarHBondContact O-N 3.02Š| ||
| 26 | N | 45.9 | Very low | 51.9 | Low | 140 Ų | 140 | 132.3 Ų | 132.3 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | -64.9 | 102.9 | 175.6 | -162 | 24.3 | 0 | 0 | 0 | 106.6 | C24 G28 | C24-N26 PolarHBondContact O-N 3.27Å; N26-G28 VanDerWaalsContact C-N 3.29Å; N26-G28 PolarHBondContact O-N 2.95Å | ||
| 27 | S | 55.3 | Low | 53.4 | Low | 106 Ų | 106 | 131.5 Ų | 131.5 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | -55.6 | 101.2 | 168.8 | -176.4 | 0 | 0 | 0 | 0 | 106 | V25 T29 | V25-S27 PolarHBondContact O-N 3.02Å; S27-T29 PolarHBondContact O-N 2.83Å | ||
| 28 | G | 56.8 | Low | 55.1 | Low | 57 Ų | 57 | 131.5 Ų | 131.5 | 59% | 0.588 | 76% | 0.761 | S | S | * | * | trans | -54.7 | 112.3 | -168 | 0 | 0 | 0 | 0 | 0 | 109.5 | N26 R30 | N26-G28 VanDerWaalsContact C-N 3.29Å; N26-G28 PolarHBondContact O-N 2.95Å; G28-R30 VanDerWaalsContact C-N 3.28Å; G28-R30 PolarHBondContact O-N 3.2Å | ||
| 29 | T | 59.3 | Low | 56.8 | Low | 117 Ų | 117 | 126 Ų | 126 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | trans | -62.8 | 94.8 | 171.8 | 43.1 | 0 | 0 | 0 | 0 | 107.7 | S27 T31 | S27-T29 PolarHBondContact O-N 2.83Å; T29-T31 VanDerWaalsContact C-N 3.32Å; T29-T31 PolarHBondContact O-N 3.06Å | ||
| 30 | R | 61.8 | Low | 59.3 | Low | 238 Ų | 238 | 126.9 Ų | 126.9 | 90% | 0.898 | 75% | 0.748 | S | S | * | * | trans | -69.6 | 93.7 | 168.4 | -75.3 | -174.3 | 174.3 | -157.9 | -0.5 | 107.2 | G28 L32 | G28-R30 VanDerWaalsContact C-N 3.28Å; G28-R30 PolarHBondContact O-N 3.2Å; R30-L32 PolarHBondContact O-N 2.94Å | ||
| 31 | T | 65.9 | Low | 62 | Low | 128 Ų | 128 | 129.6 Ų | 129.6 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | -72.9 | 120.9 | 171.1 | 51.9 | 0 | 0 | 0 | 0 | 108.6 | T29 | T29-T31 VanDerWaalsContact C-N 3.32Å; T29-T31 PolarHBondContact O-N 3.06Å | ||
| 32 | L | 64.8 | Low | 64.1 | Low | 154 Ų | 154 | 131.3 Ų | 131.3 | 81% | 0.806 | 74% | 0.738 | S | S | * | * | trans | -83.1 | 114.6 | 173 | -66.8 | 175.2 | 0 | 0 | 0 | 108.4 | R30 V34 | R30-L32 PolarHBondContact O-N 2.94Å; L32-V34 HydrophobicContact CB-CG2 4.12Å; L32-V34 PolarHBondContact O-N 3.5Å; L32-V34 VanDerWaalsContact O-N 3.12Å | ||
| 33 | H | 56.1 | Low | 66.7 | Low | 159 Ų | 159 | 130.3 Ų | 130.3 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | trans | -79.1 | 91 | 173.9 | -169.8 | -88.4 | 0 | 0 | 0 | 109.6 | T35 | H33-T35 VanDerWaalsContact C-N 3.35Å; H33-T35 WeakPolarHBondContact CE1-CG2 3.41Å; H33-T35 PolarHBondContact CE1-OG1 2.89Å; H33-T35 PolarHBondContact ND1-OG1 2.82Å; H33-T35 VanDerWaalsContact ND1-OG1 3.1Å; H33-T35 PolarHBondContact O-N 2.58Å | ||
| 34 | V | 69.8 | Low | 68.9 | Low | 137 Ų | 137 | 125.8 Ų | 125.8 | 83% | 0.83 | 72% | 0.724 | S | S | * | * | trans | -91.7 | 58.7 | -179 | -165.4 | 0 | 0 | 0 | 0 | 111 | L32 | L32-V34 HydrophobicContact CB-CG2 4.12Å; L32-V34 PolarHBondContact O-N 3.5Å; L32-V34 VanDerWaalsContact O-N 3.12Å | ||
| 35 | T | 71.7 | Confident | 71.4 | Confident | 84 Ų | 84 | 125.1 Ų | 125.1 | 52% | 0.515 | 71% | 0.706 | S | S | . | * | trans | -99.5 | 136.5 | 167.4 | 63.5 | 0 | 0 | 0 | 0 | 109.7 | H33 I37 | H33-T35 VanDerWaalsContact C-N 3.35Å; H33-T35 WeakPolarHBondContact CE1-CG2 3.41Å; H33-T35 PolarHBondContact CE1-OG1 2.89Å; H33-T35 PolarHBondContact ND1-OG1 2.82Å; H33-T35 VanDerWaalsContact ND1-OG1 3.1Å; H33-T35 PolarHBondContact O-N 2.58Å; T35-I37 PolarHBondContact O-N 3.41Å | ||
| 36 | A | 69.8 | Low | 73.6 | Confident | 89 Ų | 89 | 120.3 Ų | 120.3 | 74% | 0.736 | 68% | 0.675 | S | S | * | * | trans | -53.6 | 126.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | C38 | A36-C38 PolarHBondContact O-N 3.12Š| ||
| 37 | I | 74.5 | Confident | 75.8 | Confident | 149 Ų | 149 | 122.4 Ų | 122.4 | 76% | 0.764 | 67% | 0.673 | S | S | * | * | trans | -71.3 | 102.3 | 176.4 | -60.2 | 168.9 | 0 | 0 | 0 | 107.4 | T35 C39 | T35-I37 PolarHBondContact O-N 3.41Å; I37-C39 PolarHBondContact O-N 2.91Å | ||
| 38 | C | 70.5 | Confident | 77.6 | Confident | 100 Ų | 100 | 122.6 Ų | 122.6 | 68% | 0.676 | 67% | 0.669 | S | S | * | * | trans | -70.7 | 91.3 | 169.9 | -69 | 0 | 0 | 0 | 0 | 109.4 | A36 K40 | A36-C38 PolarHBondContact O-N 3.12Å; C38-K40 PolarHBondContact O-N 3.1Å | ||
| 39 | C | 80.4 | Confident | 79.2 | Confident | 114 Ų | 114 | 122.6 Ų | 122.6 | 77% | 0.77 | 67% | 0.669 | S | S | * | * | trans | -68.8 | 73.8 | 176 | -69.8 | 0 | 0 | 0 | 0 | 111.9 | I37 | I37-C39 PolarHBondContact O-N 2.91Š| ||
| 40 | K | 87.3 | Confident | 80.8 | Confident | 169 Ų | 169 | 125.9 Ų | 125.9 | 74% | 0.735 | 67% | 0.674 | S | S | * | * | trans | -74.5 | 134.5 | 174.5 | -63 | -176.9 | -177.5 | -178.8 | 0 | 110.6 | C38 R42 | C38-K40 PolarHBondContact O-N 3.1Å; K40-R42 WeakPolarHBondContact O-CG 3.29Å; K40-R42 PolarHBondContact O-N 3.25Å | ||
| 41 | N | 90.6 | Very high | 82.3 | Confident | 121 Ų | 121 | 116.1 Ų | 116.1 | 65% | 0.647 | 65% | 0.647 | S | S | * | * | trans | -62.3 | 122.6 | 175.5 | -71.1 | -21 | 0 | 0 | 0 | 111.7 | R45 | N41-R45 WeakPolarHBondContact O-CD 3.28Š| ||
| 42 | R | 90.9 | Very high | 83.7 | Confident | 183 Ų | 183 | 115.2 Ų | 115.2 | 69% | 0.691 | 64% | 0.637 | S | S | * | * | trans | -112.8 | -15.4 | -178.5 | -51.7 | -170.2 | -157.5 | -173.2 | 10.1 | 114.9 | K40 A44 R45 | K40-R42 WeakPolarHBondContact O-CG 3.29Å; K40-R42 PolarHBondContact O-N 3.25Å; R42-A44 PolarHBondContact O-N 3.34Å; R42-R45 PolarHBondContact O-N 2.95Å | ||
| 43 | A | 93.9 | Very high | 85.1 | Confident | 75 Ų | 75 | 114.3 Ų | 114.3 | 62% | 0.62 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | 122.8 | -173 | 0 | 0 | 0 | 0 | 0 | 112.2 | R45 | A43-R45 VanDerWaalsContact O-CG 3.26Å; A43-R45 WeakPolarHBondContact O-CG 3.26Å; A43-R45 PolarHBondContact O-N 2.81Å; A43-R45 VanDerWaalsContact O-N 3.13Å |
| 44 | A | 94.1 | Very high | 87 | Confident | 78 Ų | 78 | 110 Ų | 110 | 65% | 0.645 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 44.6 | 42 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R42 P63 | R42-A44 PolarHBondContact O-N 3.34Å; A44-P63 HydrophobicContact CB-CG 3.85Å |
| 45 | R | 93.9 | Very high | 88.3 | Confident | 93 Ų | 93 | 103.6 Ų | 103.6 | 35% | 0.351 | 57% | 0.57 | S | S | . | * | trans | -117.4 | 128.2 | 172.7 | -51 | -161.9 | -179.2 | -172.4 | -6.1 | 109.7 | N41 R42 A43 | N41-R45 WeakPolarHBondContact O-CD 3.28Å; R42-R45 PolarHBondContact O-N 2.95Å; A43-R45 VanDerWaalsContact O-CG 3.26Å; A43-R45 WeakPolarHBondContact O-CG 3.26Å; A43-R45 PolarHBondContact O-N 2.81Å; A43-R45 VanDerWaalsContact O-N 3.13Å | ||
| 46 | I | 93.4 | Very high | 89.4 | Confident | 36 Ų | 36 | 99.8 Ų | 99.8 | 19% | 0.185 | 55% | 0.547 | C | S | . | . | P | Polyproline II helix | trans | -89.8 | 123.7 | 170.9 | -61.6 | 176.6 | 0 | 0 | 0 | 107.5 | L55 Q59 | I46-L55 HydrophobicContact CB-CD1 4.24Å; I46-L55 HydrophobicContact CD1-CD1 4.05Å; I46-L55 HydrophobicContact CD1-CD2 3.41Å; I46-L55 VanDerWaalsContact CD1-CD2 3.41Å; I46-L55 HydrophobicContact CD1-CG 4.38Å; I46-L55 HydrophobicContact CG2-CD1 4.22Å; I46-L55 HydrophobicContact CG2-CD2 4.26Å; I46-Q59 HydrophobicContact CD1-CB 3.84Å |
| 47 | R | 91.7 | Very high | 90.7 | Very high | 184 Ų | 184 | 100 Ų | 100 | 69% | 0.694 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -68.3 | 137.7 | 178.6 | -68.2 | -175.5 | 177.2 | 179.5 | -1.8 | 109.8 | ||
| 48 | V | 92.4 | Very high | 91.6 | Very high | 110 Ų | 110 | 95.1 Ų | 95.1 | 67% | 0.667 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 135.9 | 175 | -175 | 0 | 0 | 0 | 0 | 109 | L171 | V48-L171 HydrophobicContact CG2-CD1 4.48Å; V48-L171 HydrophobicContact CG2-CD2 4.2Å |
| 49 | G | 90.8 | Very high | 92.8 | Very high | 57 Ų | 57 | 93.5 Ų | 93.5 | 59% | 0.588 | 49% | 0.486 | S | S | * | . | trans | -115.9 | -132.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L171 | G49-L171 WeakPolarHBondContact CA-OXT 3.41Å; G49-L171 PolarHBondContact N-OXT 2.73Å | ||
| 50 | K | 93.3 | Very high | 93.5 | Very high | 186 Ų | 186 | 88.4 Ų | 88.4 | 81% | 0.809 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -84.8 | -14 | -178.5 | -172.6 | 175 | 168.2 | -153.9 | 0 | 113.5 | D52 | K50-D52 WeakPolarHBondContact CD-OD2 3.44Å; K50-D52 IonicContact NZ-OD2 3.8Å |
| 51 | G | 92.6 | Very high | 93.9 | Very high | 32 Ų | 32 | 80.8 Ų | 80.8 | 33% | 0.33 | 42% | 0.419 | S | S | . | . | S | Bend | trans | 101.2 | 6.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y170 L171 | G51-Y170 VanDerWaalsContact O-CB 3.28Å; G51-Y170 WeakPolarHBondContact O-CB 3.33Å; G51-L171 CarbonylContact C-O 3.3Å; G51-L171 VanDerWaalsContact C-O 3.3Å; G51-L171 VanDerWaalsContact CA-O 3.23Å; G51-L171 WeakPolarHBondContact CA-O 3.19Å; G51-L171 VanDerWaalsContact N-C 3.27Å; G51-L171 PolarHBondContact N-O 3.11Å; G51-L171 PolarHBondContact N-OXT 3.06Å; G51-L171 VanDerWaalsContact N-OXT 3.07Å |
| 52 | D | 94.8 | Very high | 94.1 | Very high | 109 Ų | 109 | 77.7 Ų | 77.7 | 58% | 0.583 | 40% | 0.4 | S | S | * | . | trans | -97.3 | -10.4 | -176 | -59.4 | -30.9 | 0 | 0 | 0 | 112.6 | K50 P54 L171 | K50-D52 WeakPolarHBondContact CD-OD2 3.44Å; K50-D52 IonicContact NZ-OD2 3.8Å; D52-P54 VanDerWaalsContact O-CD 3.26Å; D52-P54 WeakPolarHBondContact O-CD 3.23Å; D52-L171 PolarHBondContact N-O 2.99Å | ||
| 53 | R | 95.3 | Very high | 94.4 | Very high | 136 Ų | 136 | 71.5 Ų | 71.5 | 51% | 0.513 | 38% | 0.384 | S | S | . | . | trans | -87.8 | 113.5 | -172.3 | -176.5 | 178.6 | 177 | 164 | 1.4 | 111.2 | L55 Y170 L171 | R53-L55 HydrophobicContact CG-CD2 4.15Å; R53-L55 PolarHBondContact O-N 3.09Å; R53-Y170 WeakPolarHBondContact O-CA 3.34Å; R53-L171 WeakPolarHBondContact CB-O 3.25Å; R53-L171 PolarHBondContact N-O 3.1Å; R53-L171 PolarHBondContact O-N 3.46Å | ||
| 54 | P | 96 | Very high | 94.5 | Very high | 69 Ų | 69 | 72.6 Ų | 72.6 | 45% | 0.448 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 130.6 | 176.5 | 29 | -33.5 | 0 | 0 | 0 | 110.8 | D52 V167 Y170 | D52-P54 VanDerWaalsContact O-CD 3.26Å; D52-P54 WeakPolarHBondContact O-CD 3.23Å; P54-V167 HydrophobicContact CB-CG1 3.85Å; P54-V167 HydrophobicContact CB-CG2 3.87Å; P54-Y170 HydrophobicContact CB-CD1 4.14Å; P54-Y170 HydrophobicContact CB-CE1 3.72Å; P54-Y170 HydrophobicContact CG-CE1 4.47Å |
| 55 | L | 95.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 142.8 | 176.5 | -63.6 | -172.6 | 0 | 0 | 0 | 112 | I46 R53 A60 Y168 K169 L171 | I46-L55 HydrophobicContact CB-CD1 4.24Å; I46-L55 HydrophobicContact CD1-CD1 4.05Å; I46-L55 HydrophobicContact CD1-CD2 3.41Å; I46-L55 VanDerWaalsContact CD1-CD2 3.41Å; I46-L55 HydrophobicContact CD1-CG 4.38Å; I46-L55 HydrophobicContact CG2-CD1 4.22Å; I46-L55 HydrophobicContact CG2-CD2 4.26Å; R53-L55 HydrophobicContact CG-CD2 4.15Å; R53-L55 PolarHBondContact O-N 3.09Å; L55-A60 HydrophobicContact CB-CB 4.35Å; L55-Y168 PolarHBondContact O-N 2.78Å; L55-K169 HydrophobicContact CB-CG 4.39Å; L55-K169 PolarHBondContact N-O 3.41Å; L55-K169 PolarHBondContact O-N 3.26Å; L55-L171 HydrophobicContact CD1-CB 4.14Å; L55-L171 HydrophobicContact CD1-CD1 3.41Å; L55-L171 VanDerWaalsContact CD1-CD1 3.41Å; L55-L171 HydrophobicContact CD1-CG 3.76Å |
| 56 | T | 96 | Very high | 94.8 | Very high | 4 Ų | 4 | 70.1 Ų | 70.1 | 3% | 0.025 | 36% | 0.357 | C | S | . | . | trans | -79.8 | 161.9 | 170.9 | 67.1 | 0 | 0 | 0 | 0 | 110.3 | E58 Q59 A60 N110 K165 | T56-E58 VanDerWaalsContact C-N 3.27Å; T56-E58 PolarHBondContact O-N 3.43Å; T56-Q59 PolarHBondContact O-N 3.12Å; T56-Q59 VanDerWaalsContact O-N 3.13Å; T56-Q59 VanDerWaalsContact OG1-CG 3.31Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.26Å; T56-Q59 PolarHBondContact OG1-N 3.46Å; T56-A60 VanDerWaalsContact O-CB 3.27Å; T56-A60 WeakPolarHBondContact O-CB 3.37Å; T56-A60 PolarHBondContact O-N 2.92Å; T56-N110 WeakPolarHBondContact CB-OD1 3.27Å; T56-N110 VanDerWaalsContact CG2-OD1 3.23Å; T56-N110 WeakPolarHBondContact CG2-OD1 3.38Å; T56-K165 HydrophobicContact CG2-CD 4.05Å; T56-K165 VanDerWaalsContact CG2-CE 3.43Å; T56-K165 HydrophobicContact CG2-CG 4.1Å | ||
| 57 | Y | 96.3 | Very high | 94.9 | Very high | 94 Ų | 94 | 70.7 Ų | 70.7 | 37% | 0.369 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -52.1 | -46.5 | 178.5 | -177.7 | -101.5 | 0 | 0 | 0 | 112.3 | Q59 A60 L61 R69 K70 Y168 | Y57-Q59 PolarHBondContact O-N 2.85Å; Y57-A60 PolarHBondContact O-N 3.14Å; Y57-L61 HydrophobicContact CD1-CD1 4.18Å; Y57-L61 HydrophobicContact CD2-CD1 4.28Å; Y57-L61 HydrophobicContact CE1-CD1 3.6Å; Y57-L61 HydrophobicContact CE2-CD1 3.71Å; Y57-L61 HydrophobicContact CG-CD1 4.49Å; Y57-R69 PolarHBondContact OH-O 3.24Å; Y57-K70 HydrophobicContact CE1-CB 4.48Å; Y57-Y168 HydrophobicContact CD2-CD1 4.28Å; Y57-Y168 AromaticContact CD2-CD2 3.81Å; Y57-Y168 HydrophobicContact CD2-CD2 3.81Å; Y57-Y168 HydrophobicContact CD2-CE1 4.29Å; Y57-Y168 AromaticContact CD2-CE2 3.83Å; Y57-Y168 HydrophobicContact CD2-CE2 3.83Å; Y57-Y168 HydrophobicContact CD2-CG 4.03Å; Y57-Y168 HydrophobicContact CE2-CE2 4.2Å |
| 58 | E | 94.3 | Very high | 95.2 | Very high | 45 Ų | 45 | 69.5 Ų | 69.5 | 21% | 0.21 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 179.5 | -74 | -56.1 | 154.3 | 0 | 0 | 113 | T56 A60 K70 | T56-E58 VanDerWaalsContact C-N 3.27Å; T56-E58 PolarHBondContact O-N 3.43Å; E58-A60 VanDerWaalsContact C-N 3.35Å; E58-K70 PolarHBondContact O-NZ 3.22Å; E58-K70 IonicContact OE2-NZ 3.01Å; E58-K70 PolarHBondContact OE2-NZ 2.96Å |
| 59 | Q | 94.9 | Very high | 95.4 | Very high | 66 Ų | 66 | 71.6 Ų | 71.6 | 31% | 0.308 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -73.6 | -27.8 | 179.8 | -69.7 | 179.8 | -15.6 | 0 | 0 | 113 | I46 T56 Y57 | I46-Q59 HydrophobicContact CD1-CB 3.84Å; T56-Q59 PolarHBondContact O-N 3.12Å; T56-Q59 VanDerWaalsContact O-N 3.13Å; T56-Q59 VanDerWaalsContact OG1-CG 3.31Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.26Å; T56-Q59 PolarHBondContact OG1-N 3.46Å; Y57-Q59 PolarHBondContact O-N 2.85Å |
| 60 | A | 95.2 | Very high | 95.7 | Very high | 7 Ų | 7 | 70.2 Ų | 70.2 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -75.3 | -23.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L55 T56 Y57 E58 Y168 K169 | L55-A60 HydrophobicContact CB-CB 4.35Å; T56-A60 VanDerWaalsContact O-CB 3.27Å; T56-A60 WeakPolarHBondContact O-CB 3.37Å; T56-A60 PolarHBondContact O-N 2.92Å; Y57-A60 PolarHBondContact O-N 3.14Å; E58-A60 VanDerWaalsContact C-N 3.35Å; A60-Y168 HydrophobicContact CB-CD1 3.61Å; A60-Y168 HydrophobicContact CB-CE1 4.13Å; A60-K169 HydrophobicContact CB-CD 3.85Å; A60-K169 VanDerWaalsContact CB-CE 3.42Å; A60-K169 HydrophobicContact CB-CG 4.03Å; A60-K169 PolarHBondContact O-NZ 3.01Å |
| 61 | L | 95.6 | Very high | 95.8 | Very high | 10 Ų | 10 | 63.4 Ų | 63.4 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -103.7 | 132 | -173.6 | -72.1 | 172.1 | 0 | 0 | 0 | 111.7 | Y57 R69 K70 | Y57-L61 HydrophobicContact CD1-CD1 4.18Å; Y57-L61 HydrophobicContact CD2-CD1 4.28Å; Y57-L61 HydrophobicContact CE1-CD1 3.6Å; Y57-L61 HydrophobicContact CE2-CD1 3.71Å; Y57-L61 HydrophobicContact CG-CD1 4.49Å; L61-R69 HydrophobicContact CD1-CB 3.89Å; L61-R69 HydrophobicContact CD2-CB 4.33Å; L61-K70 HydrophobicContact CD1-CB 4.18Å; L61-K70 WeakPolarHBondContact O-CE 3.49Å; L61-K70 PolarHBondContact O-NZ 2.98Å; L61-K70 VanDerWaalsContact O-NZ 3.11Å |
| 62 | H | 95.4 | Very high | 96.1 | Very high | 55 Ų | 55 | 70 Ų | 70 | 26% | 0.255 | 35% | 0.345 | S | S | . | . | trans | -74 | 164.4 | 179.6 | -61.8 | 151.8 | 0 | 0 | 0 | 113.8 | H64 H65 | H62-H64 VanDerWaalsContact C-N 3.33Å; H62-H64 WeakPolarHBondContact CB-CE1 3.4Å; H62-H64 AromaticContact CG-CE1 3.8Å; H62-H64 AromaticContact ND1-CE1 3.58Å; H62-H64 AromaticContact ND1-NE2 3.98Å; H62-H64 PolarHBondContact O-N 2.69Å; H62-H65 WeakPolarHBondContact O-CB 3.44Å; H62-H65 PolarHBondContact O-N 3.35Å | ||
| 63 | P | 97.1 | Very high | 96.2 | Very high | 53 Ų | 53 | 66.7 Ų | 66.7 | 34% | 0.344 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -56.6 | -35.8 | -178.1 | -30.9 | 37.4 | 0 | 0 | 0 | 116.1 | A44 H65 I66 | A44-P63 HydrophobicContact CB-CG 3.85Å; P63-H65 PolarHBondContact O-N 2.92Å; P63-H65 VanDerWaalsContact O-N 3.11Å; P63-I66 WeakPolarHBondContact O-CB 3.26Å; P63-I66 WeakPolarHBondContact O-CD1 3.21Å; P63-I66 WeakPolarHBondContact O-CG1 3.43Å; P63-I66 PolarHBondContact O-N 3.11Å; P63-I66 VanDerWaalsContact O-N 3.09Å |
| 64 | H | 95.8 | Very high | 96.3 | Very high | 99 Ų | 99 | 61.3 Ų | 61.3 | 46% | 0.458 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -70.4 | -4.5 | 179.9 | 52.8 | -91.6 | 0 | 0 | 0 | 113.6 | H62 | H62-H64 VanDerWaalsContact C-N 3.33Å; H62-H64 WeakPolarHBondContact CB-CE1 3.4Å; H62-H64 AromaticContact CG-CE1 3.8Å; H62-H64 AromaticContact ND1-CE1 3.58Å; H62-H64 AromaticContact ND1-NE2 3.98Å; H62-H64 PolarHBondContact O-N 2.69Å |
| 65 | H | 97 | Very high | 96.4 | Very high | 42 Ų | 42 | 63 Ų | 63 | 19% | 0.194 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -94 | 0.9 | 172.3 | -62.3 | 148.2 | 0 | 0 | 0 | 113.3 | H62 P63 G67 H68 R69 K70 | H62-H65 WeakPolarHBondContact O-CB 3.44Å; H62-H65 PolarHBondContact O-N 3.35Å; P63-H65 PolarHBondContact O-N 2.92Å; P63-H65 VanDerWaalsContact O-N 3.11Å; H65-G67 PolarHBondContact O-N 3.13Å; H65-H68 PolarHBondContact O-N 3.12Å; H65-H68 VanDerWaalsContact O-N 3.12Å; H65-R69 HydrophobicContact CB-CB 4.26Å; H65-R69 PolarHBondContact O-N 3.47Å; H65-K70 PolarHBondContact O-N 3.47Å; H65-K70 VanDerWaalsContact O-N 3.14Å |
| 66 | I | 97.5 | Very high | 96.4 | Very high | 76 Ų | 76 | 64.7 Ų | 64.7 | 39% | 0.39 | 32% | 0.32 | S | S | . | . | B | Isolated β-bridge | trans | -63.7 | 129.7 | 171.2 | -62 | 167.2 | 0 | 0 | 0 | 108.7 | P63 H68 K70 W72 | P63-I66 WeakPolarHBondContact O-CB 3.26Å; P63-I66 WeakPolarHBondContact O-CD1 3.21Å; P63-I66 WeakPolarHBondContact O-CG1 3.43Å; P63-I66 PolarHBondContact O-N 3.11Å; P63-I66 VanDerWaalsContact O-N 3.09Å; I66-H68 VanDerWaalsContact C-N 3.26Å; I66-H68 PolarHBondContact O-N 3.39Å; I66-K70 HydrophobicContact CB-CG 4.26Å; I66-K70 HydrophobicContact CG1-CD 3.53Å; I66-K70 HydrophobicContact CG1-CG 3.74Å; I66-W72 HydrophobicContact CG2-CZ2 4.29Å |
| 67 | G | 95.7 | Very high | 96.5 | Very high | 49 Ų | 49 | 68.5 Ų | 68.5 | 51% | 0.505 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | -11.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | H65 K70 | H65-G67 PolarHBondContact O-N 3.13Å; G67-K70 PolarHBondContact N-O 3.29Å |
| 68 | H | 97.3 | Very high | 96.4 | Very high | 158 Ų | 158 | 64.4 Ų | 64.4 | 73% | 0.731 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | -53.3 | 177.7 | -64 | -76.1 | 0 | 0 | 0 | 112.9 | H65 I66 | H65-H68 PolarHBondContact O-N 3.12Å; H65-H68 VanDerWaalsContact O-N 3.12Å; I66-H68 VanDerWaalsContact C-N 3.26Å; I66-H68 PolarHBondContact O-N 3.39Å |
| 69 | R | 96.7 | Very high | 96.5 | Very high | 155 Ų | 155 | 67.9 Ų | 67.9 | 59% | 0.585 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.4 | -34.7 | -179.2 | -60.1 | -177.8 | 177.1 | -179.4 | -0.1 | 111.5 | Y57 L61 H65 | Y57-R69 PolarHBondContact OH-O 3.24Å; L61-R69 HydrophobicContact CD1-CB 3.89Å; L61-R69 HydrophobicContact CD2-CB 4.33Å; H65-R69 HydrophobicContact CB-CB 4.26Å; H65-R69 PolarHBondContact O-N 3.47Å |
| 70 | K | 96.4 | Very high | 96.6 | Very high | 28 Ų | 28 | 69.8 Ų | 69.8 | 12% | 0.122 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -112.9 | 148.3 | 177.1 | 67.2 | 168.2 | 61.8 | -155.8 | 0 | 111.3 | Y57 E58 L61 H65 I66 G67 | Y57-K70 HydrophobicContact CE1-CB 4.48Å; E58-K70 PolarHBondContact O-NZ 3.22Å; E58-K70 IonicContact OE2-NZ 3.01Å; E58-K70 PolarHBondContact OE2-NZ 2.96Å; L61-K70 HydrophobicContact CD1-CB 4.18Å; L61-K70 WeakPolarHBondContact O-CE 3.49Å; L61-K70 PolarHBondContact O-NZ 2.98Å; L61-K70 VanDerWaalsContact O-NZ 3.11Å; H65-K70 PolarHBondContact O-N 3.47Å; H65-K70 VanDerWaalsContact O-N 3.14Å; I66-K70 HydrophobicContact CB-CG 4.26Å; I66-K70 HydrophobicContact CG1-CD 3.53Å; I66-K70 HydrophobicContact CG1-CG 3.74Å; G67-K70 PolarHBondContact N-O 3.29Å |
| 71 | G | 96.9 | Very high | 96.7 | Very high | 43 Ų | 43 | 79.1 Ų | 79.1 | 44% | 0.443 | 40% | 0.404 | S | S | . | . | trans | -88.9 | -158.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 72 | W | 97.5 | Very high | 96.7 | Very high | 169 Ų | 169 | 82.6 Ų | 82.6 | 64% | 0.64 | 44% | 0.443 | S | S | * | . | trans | -107.6 | 138.6 | 176 | -61.5 | -91 | 0 | 0 | 0 | 111.1 | I66 S74 | I66-W72 HydrophobicContact CG2-CZ2 4.29Å; W72-S74 VanDerWaalsContact C-N 3.34Å | ||
| 73 | L | 97.5 | Very high | 96.7 | Very high | 40 Ų | 40 | 85.4 Ų | 85.4 | 21% | 0.209 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -82.1 | -12.8 | 178 | -62.9 | 172.5 | 0 | 0 | 0 | 113.4 | R97 E111 V113 I114 | L73-R97 PolarHBondContact O-NH2 3.42Å; L73-E111 HydrophobicContact CD1-CB 4.01Å; L73-E111 WeakPolarHBondContact CD1-OE2 3.47Å; L73-V113 HydrophobicContact CD2-CG2 3.98Å; L73-V113 CarbonylContact O-C 3.6Å; L73-V113 WeakPolarHBondContact O-CA 3.33Å; L73-I114 PolarHBondContact O-N 2.81Å |
| 74 | S | 97.5 | Very high | 96.6 | Very high | 24 Ų | 24 | 85.6 Ų | 85.6 | 17% | 0.168 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 134.4 | 169.6 | -172.4 | 0 | 0 | 0 | 0 | 109.5 | W72 D93 I114 | W72-S74 VanDerWaalsContact C-N 3.34Å; S74-D93 WeakPolarHBondContact CB-OD2 3.25Å; S74-D93 PolarHBondContact OG-OD2 3.29Å; S74-I114 CarbonylContact C-O 3.44Å; S74-I114 WeakPolarHBondContact CA-O 3.23Å |
| 75 | Q | 97.2 | Very high | 96.5 | Very high | 103 Ų | 103 | 82.5 Ų | 82.5 | 48% | 0.481 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 113.7 | 178.4 | -63.4 | 178.7 | -3.2 | 0 | 0 | 108.9 | I114 R116 | Q75-I114 PolarHBondContact N-O 3.27Å; Q75-R116 PolarHBondContact O-N 3.44Å |
| 76 | H | 97 | Very high | 96.4 | Very high | 38 Ų | 38 | 81.9 Ų | 81.9 | 18% | 0.176 | 47% | 0.465 | C | S | . | . | trans | -151.5 | 163.9 | 176.6 | 64.6 | 82.8 | 0 | 0 | 0 | 110.4 | G78 N79 R116 | H76-G78 PolarHBondContact ND1-N 3.13Å; H76-N79 VanDerWaalsContact CE1-CG 3.49Å; H76-N79 PolarHBondContact CE1-ND2 3.16Å; H76-R116 HydrophobicContact CB-CB 4.35Å | ||
| 77 | T | 96.9 | Very high | 96.4 | Very high | 84 Ų | 84 | 81.8 Ų | 81.8 | 52% | 0.515 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -82.6 | -22.2 | -177.1 | 53.6 | 0 | 0 | 0 | 0 | 114.1 | N79 L80 E83 | T77-N79 PolarHBondContact O-N 3.3Å; T77-L80 HydrophobicContact CG2-CD1 4.36Å; T77-L80 VanDerWaalsContact O-CB 3.28Å; T77-L80 WeakPolarHBondContact O-CB 3.49Å; T77-L80 VanDerWaalsContact O-CG 3.29Å; T77-L80 WeakPolarHBondContact O-CG 3.31Å; T77-L80 PolarHBondContact O-N 2.75Å; T77-E83 WeakPolarHBondContact O-CB 2.93Å |
| 78 | G | 95.4 | Very high | 96.4 | Very high | 8 Ų | 8 | 84 Ų | 84 | 8% | 0.082 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -17.7 | -172 | 0 | 0 | 0 | 0 | 0 | 117.5 | H76 | H76-G78 PolarHBondContact ND1-N 3.13Š|
| 79 | N | 96.6 | Very high | 96.3 | Very high | 118 Ų | 118 | 81 Ų | 81 | 63% | 0.631 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 0.6 | 175.7 | -68.5 | -20.6 | 0 | 0 | 0 | 113.4 | H76 T77 A86 | H76-N79 VanDerWaalsContact CE1-CG 3.49Å; H76-N79 PolarHBondContact CE1-ND2 3.16Å; T77-N79 PolarHBondContact O-N 3.3Å; N79-A86 WeakPolarHBondContact OD1-CB 3.48Å |
| 80 | L | 96.9 | Very high | 96.3 | Very high | 107 Ų | 107 | 76.6 Ų | 76.6 | 56% | 0.56 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -74.8 | 154.2 | 175.3 | -62 | 174 | 0 | 0 | 0 | 110.2 | T77 G82 E83 | T77-L80 HydrophobicContact CG2-CD1 4.36Å; T77-L80 VanDerWaalsContact O-CB 3.28Å; T77-L80 WeakPolarHBondContact O-CB 3.49Å; T77-L80 VanDerWaalsContact O-CG 3.29Å; T77-L80 WeakPolarHBondContact O-CG 3.31Å; T77-L80 PolarHBondContact O-N 2.75Å; L80-G82 PolarHBondContact O-N 3.16Å; L80-E83 HydrophobicContact CB-CB 4.32Å; L80-E83 HydrophobicContact CB-CG 3.81Å; L80-E83 PolarHBondContact O-N 2.95Å |
| 81 | Q | 96.6 | Very high | 96.4 | Very high | 202 Ų | 202 | 80 Ų | 80 | 94% | 0.944 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 125.3 | 179.2 | -175.3 | 176.5 | 11.9 | 0 | 0 | 110.5 | E83 | Q81-E83 VanDerWaalsContact C-N 3.31Š|
| 82 | G | 95.4 | Very high | 96.4 | Very high | 84 Ų | 84 | 79.9 Ų | 79.9 | 87% | 0.866 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | -4.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L80 | L80-G82 PolarHBondContact O-N 3.16Š|
| 83 | E | 96.4 | Very high | 96.4 | Very high | 113 Ų | 113 | 72.1 Ų | 72.1 | 53% | 0.528 | 43% | 0.426 | S | S | . | . | trans | -87.1 | 152.9 | 175 | -68 | -65.3 | 147.7 | 0 | 0 | 111.9 | T77 L80 Q81 | T77-E83 WeakPolarHBondContact O-CB 2.93Å; L80-E83 HydrophobicContact CB-CB 4.32Å; L80-E83 HydrophobicContact CB-CG 3.81Å; L80-E83 PolarHBondContact O-N 2.95Å; Q81-E83 VanDerWaalsContact C-N 3.31Å | ||
| 84 | G | 94.4 | Very high | 96.4 | Very high | 58 Ų | 58 | 75.5 Ų | 75.5 | 60% | 0.598 | 44% | 0.442 | S | S | * | . | trans | -107.8 | 176.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | A86 | G84-A86 PolarHBondContact O-N 2.81Š| ||
| 85 | G | 93.4 | Very high | 96.5 | Very high | 33 Ų | 33 | 78.1 Ų | 78.1 | 34% | 0.34 | 45% | 0.45 | S | S | . | . | trans | 77 | 14.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | S87 D88 R89 | G85-S87 VanDerWaalsContact C-N 3.29Å; G85-S87 PolarHBondContact O-N 3Å; G85-D88 PolarHBondContact O-N 2.9Å; G85-R89 VanDerWaalsContact O-CG 3.26Å; G85-R89 WeakPolarHBondContact O-CG 3.33Å; G85-R89 PolarHBondContact O-N 2.96Å | ||
| 86 | A | 95.7 | Very high | 96.5 | Very high | 30 Ų | 30 | 73.2 Ų | 73.2 | 25% | 0.248 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -56.1 | -42.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N79 G84 D88 R89 T90 | N79-A86 WeakPolarHBondContact OD1-CB 3.48Å; G84-A86 PolarHBondContact O-N 2.81Å; A86-D88 PolarHBondContact O-N 2.97Å; A86-R89 PolarHBondContact O-N 3.43Å; A86-T90 VanDerWaalsContact O-CG2 3.28Å; A86-T90 WeakPolarHBondContact O-CG2 3.33Å; A86-T90 PolarHBondContact O-N 2.82Å; A86-T90 PolarHBondContact O-OG1 3.18Å |
| 87 | S | 96.4 | Very high | 96.5 | Very high | 74 Ų | 74 | 74.8 Ų | 74.8 | 52% | 0.517 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -56.8 | -51.2 | 179 | 51.3 | 0 | 0 | 0 | 0 | 111.9 | G85 R89 T90 V91 | G85-S87 VanDerWaalsContact C-N 3.29Å; G85-S87 PolarHBondContact O-N 3Å; S87-R89 VanDerWaalsContact C-N 3.32Å; S87-R89 PolarHBondContact O-N 2.84Å; S87-T90 PolarHBondContact O-N 2.86Å; S87-T90 VanDerWaalsContact O-N 3.14Å; S87-T90 PolarHBondContact O-OG1 3.28Å; S87-V91 PolarHBondContact O-N 2.91Å |
| 88 | D | 95.4 | Very high | 96.6 | Very high | 94 Ų | 94 | 79.7 Ų | 79.7 | 50% | 0.503 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | -174.8 | -54.8 | -18.7 | 0 | 0 | 0 | 109.8 | G85 A86 T90 V91 E92 | G85-D88 PolarHBondContact O-N 2.9Å; A86-D88 PolarHBondContact O-N 2.97Å; D88-T90 VanDerWaalsContact C-N 3.3Å; D88-T90 PolarHBondContact O-N 3Å; D88-V91 PolarHBondContact O-N 3.37Å; D88-V91 VanDerWaalsContact O-N 3.16Å; D88-E92 VanDerWaalsContact O-CG 3.27Å; D88-E92 WeakPolarHBondContact O-CG 3.39Å; D88-E92 PolarHBondContact O-N 2.51Å |
| 89 | R | 96.2 | Very high | 96.7 | Very high | 95 Ų | 95 | 80.9 Ų | 80.9 | 36% | 0.358 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.9 | -36.9 | 176.6 | -61.7 | -64.3 | 131.5 | 91.1 | 1.2 | 112.3 | G85 A86 S87 E92 D93 R116 | G85-R89 VanDerWaalsContact O-CG 3.26Å; G85-R89 WeakPolarHBondContact O-CG 3.33Å; G85-R89 PolarHBondContact O-N 2.96Å; A86-R89 PolarHBondContact O-N 3.43Å; S87-R89 VanDerWaalsContact C-N 3.32Å; S87-R89 PolarHBondContact O-N 2.84Å; R89-E92 WeakPolarHBondContact CD-OE2 3.29Å; R89-E92 IonicContact CZ-OE1 2.65Å; R89-E92 IonicContact NE-OE1 3.48Å; R89-E92 PolarHBondContact NE-OE1 2.86Å; R89-E92 VanDerWaalsContact NE-OE1 3.14Å; R89-E92 IonicContact NE-OE2 2.83Å; R89-E92 PolarHBondContact NE-OE2 2.88Å; R89-E92 IonicContact NH2-OE1 3.32Å; R89-D93 VanDerWaalsContact O-CB 3.24Å; R89-D93 WeakPolarHBondContact O-CB 2.93Å; R89-D93 PolarHBondContact O-N 3.39Å; R89-R116 PolarHBondContact O-NH2 2.72Å |
| 90 | T | 96.9 | Very high | 96.7 | Very high | 64 Ų | 64 | 75.2 Ų | 75.2 | 39% | 0.393 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.2 | -38.4 | 175.5 | 59.2 | 0 | 0 | 0 | 0 | 112.8 | A86 S87 D88 D93 M94 | A86-T90 VanDerWaalsContact O-CG2 3.28Å; A86-T90 WeakPolarHBondContact O-CG2 3.33Å; A86-T90 PolarHBondContact O-N 2.82Å; A86-T90 PolarHBondContact O-OG1 3.18Å; S87-T90 PolarHBondContact O-N 2.86Å; S87-T90 VanDerWaalsContact O-N 3.14Å; S87-T90 PolarHBondContact O-OG1 3.28Å; D88-T90 VanDerWaalsContact C-N 3.3Å; D88-T90 PolarHBondContact O-N 3Å; T90-D93 PolarHBondContact O-N 2.85Å; T90-M94 WeakPolarHBondContact O-CG 3.36Å; T90-M94 PolarHBondContact O-N 2.82Å |
| 91 | V | 97.9 | Very high | 96.7 | Very high | 100 Ų | 100 | 76.4 Ų | 76.4 | 61% | 0.606 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -66.7 | -46.9 | 176.2 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | S87 D88 D93 M94 F95 | S87-V91 PolarHBondContact O-N 2.91Å; D88-V91 PolarHBondContact O-N 3.37Å; D88-V91 VanDerWaalsContact O-N 3.16Å; V91-D93 VanDerWaalsContact C-N 3.3Å; V91-D93 PolarHBondContact O-N 2.97Å; V91-M94 PolarHBondContact O-N 2.83Å; V91-F95 PolarHBondContact O-N 3.2Å |
| 92 | E | 97.1 | Very high | 96.7 | Very high | 40 Ų | 40 | 69.1 Ų | 69.1 | 19% | 0.187 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -54.6 | -47.7 | 174 | -69.7 | 169.4 | -160 | 0 | 0 | 111 | D88 R89 M94 F95 V96 R116 Y151 | D88-E92 VanDerWaalsContact O-CG 3.27Å; D88-E92 WeakPolarHBondContact O-CG 3.39Å; D88-E92 PolarHBondContact O-N 2.51Å; R89-E92 WeakPolarHBondContact CD-OE2 3.29Å; R89-E92 IonicContact CZ-OE1 2.65Å; R89-E92 IonicContact NE-OE1 3.48Å; R89-E92 PolarHBondContact NE-OE1 2.86Å; R89-E92 VanDerWaalsContact NE-OE1 3.14Å; R89-E92 IonicContact NE-OE2 2.83Å; R89-E92 PolarHBondContact NE-OE2 2.88Å; R89-E92 IonicContact NH2-OE1 3.32Å; E92-M94 PolarHBondContact O-N 2.81Å; E92-F95 WeakPolarHBondContact O-CB 3.44Å; E92-F95 PolarHBondContact O-N 3.19Å; E92-V96 WeakPolarHBondContact O-CB 3.38Å; E92-V96 VanDerWaalsContact O-CG2 3.29Å; E92-V96 WeakPolarHBondContact O-CG2 3.28Å; E92-V96 PolarHBondContact O-N 3.48Å; E92-R116 IonicContact OE2-CZ 3.14Å; E92-R116 IonicContact OE2-NE 2.76Å; E92-R116 PolarHBondContact OE2-NE 2.9Å; E92-R116 IonicContact OE2-NH2 3.45Å; E92-R116 PolarHBondContact OE2-NH2 2.95Å; E92-Y151 HydrophobicContact CB-CE1 4.23Å; E92-Y151 HydrophobicContact CG-CD1 4.22Å; E92-Y151 HydrophobicContact CG-CE1 3.66Å |
| 93 | D | 97.5 | Very high | 96.7 | Very high | 6 Ų | 6 | 66.7 Ų | 66.7 | 3% | 0.032 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.6 | -40.8 | -180 | -85.2 | 0 | 0 | 0 | 0 | 113.6 | S74 R89 T90 V91 F95 R97 I114 R116 | S74-D93 WeakPolarHBondContact CB-OD2 3.25Å; S74-D93 PolarHBondContact OG-OD2 3.29Å; R89-D93 VanDerWaalsContact O-CB 3.24Å; R89-D93 WeakPolarHBondContact O-CB 2.93Å; R89-D93 PolarHBondContact O-N 3.39Å; T90-D93 PolarHBondContact O-N 2.85Å; V91-D93 VanDerWaalsContact C-N 3.3Å; V91-D93 PolarHBondContact O-N 2.97Å; D93-F95 VanDerWaalsContact C-N 3.35Å; D93-R97 WeakPolarHBondContact O-CB 3.28Å; D93-R97 VanDerWaalsContact O-CG 3.31Å; D93-R97 WeakPolarHBondContact O-CG 3.14Å; D93-R97 PolarHBondContact O-N 3.04Å; D93-R97 VanDerWaalsContact O-N 3.09Å; D93-I114 HydrophobicContact CB-CD1 4.16Å; D93-R116 IonicContact OD1-CZ 3.33Å; D93-R116 IonicContact OD1-NH1 2.78Å; D93-R116 PolarHBondContact OD1-NH1 3.39Å; D93-R116 IonicContact OD1-NH2 3.11Å; D93-R116 PolarHBondContact OD1-NH2 3.42Å; D93-R116 IonicContact OD2-NH1 3.95Å; D93-R116 PolarHBondContact OD2-NH1 2.94Å |
| 94 | M | 98 | Very high | 96.7 | Very high | 110 Ų | 110 | 61.3 Ų | 61.3 | 54% | 0.542 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.9 | -39.7 | 175.8 | -75.1 | -171.4 | 71 | 0 | 0 | 111.3 | T90 V91 E92 R98 | T90-M94 WeakPolarHBondContact O-CG 3.36Å; T90-M94 PolarHBondContact O-N 2.82Å; V91-M94 PolarHBondContact O-N 2.83Å; E92-M94 PolarHBondContact O-N 2.81Å; M94-R98 WeakPolarHBondContact O-CG 3.48Å; M94-R98 PolarHBondContact O-N 3.24Å; M94-R98 VanDerWaalsContact O-N 3.15Å |
| 95 | F | 98.1 | Very high | 96.6 | Very high | 79 Ų | 79 | 64.3 Ų | 64.3 | 35% | 0.346 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.9 | -52.4 | 175.2 | 176.6 | -92 | 0 | 0 | 0 | 111.1 | V91 E92 D93 R97 R98 F99 L147 F150 Y151 | V91-F95 PolarHBondContact O-N 3.2Å; E92-F95 WeakPolarHBondContact O-CB 3.44Å; E92-F95 PolarHBondContact O-N 3.19Å; D93-F95 VanDerWaalsContact C-N 3.35Å; F95-R97 VanDerWaalsContact C-N 3.3Å; F95-R97 PolarHBondContact O-N 2.81Å; F95-R98 PolarHBondContact O-N 3.11Å; F95-R98 VanDerWaalsContact O-N 3.1Å; F95-F99 HydrophobicContact CD1-CB 4.45Å; F95-F99 HydrophobicContact CE1-CB 4.2Å; F95-F99 HydrophobicContact CE1-CG 4.42Å; F95-F99 HydrophobicContact CZ-CB 4.5Å; F95-F99 VanDerWaalsContact O-CB 3.31Å; F95-F99 WeakPolarHBondContact O-CB 3.31Å; F95-F99 PolarHBondContact O-N 2.93Å; F95-L147 HydrophobicContact CE1-CD2 3.94Å; F95-F150 HydrophobicContact CE1-CD1 4.38Å; F95-F150 HydrophobicContact CE1-CE1 4.24Å; F95-F150 HydrophobicContact CZ-CE1 4.38Å; F95-Y151 WeakPolarHBondContact CB-OH 3.49Å; F95-Y151 HydrophobicContact CD1-CE2 4.18Å; F95-Y151 AromaticContact CD1-CZ 3.91Å; F95-Y151 WeakPolarHBondContact CD1-OH 3.47Å; F95-Y151 HydrophobicContact CE1-CE2 4.46Å; F95-Y151 WeakPolarHBondContact CG-OH 2.98Å |
| 96 | V | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -56.6 | -44.4 | -179.3 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | E92 R98 F99 I100 I114 L121 V123 Y151 | E92-V96 WeakPolarHBondContact O-CB 3.38Å; E92-V96 VanDerWaalsContact O-CG2 3.29Å; E92-V96 WeakPolarHBondContact O-CG2 3.28Å; E92-V96 PolarHBondContact O-N 3.48Å; V96-R98 PolarHBondContact O-N 3.18Å; V96-F99 PolarHBondContact O-N 2.94Å; V96-I100 HydrophobicContact CG1-CD1 3.47Å; V96-I100 VanDerWaalsContact CG1-CD1 3.47Å; V96-I100 HydrophobicContact CG1-CG1 4.33Å; V96-I100 WeakPolarHBondContact O-CB 3.26Å; V96-I100 WeakPolarHBondContact O-CD1 3.47Å; V96-I100 WeakPolarHBondContact O-CG1 3.44Å; V96-I100 PolarHBondContact O-N 2.87Å; V96-I114 HydrophobicContact CB-CD1 4.21Å; V96-I114 HydrophobicContact CG1-CD1 4Å; V96-I114 HydrophobicContact CG1-CG1 4.49Å; V96-L121 HydrophobicContact CG2-CD2 4.29Å; V96-V123 HydrophobicContact CG1-CG2 3.99Å; V96-Y151 HydrophobicContact CG2-CE2 3.92Å |
| 97 | R | 98 | Very high | 96.5 | Very high | 72 Ų | 72 | 66 Ų | 66 | 27% | 0.272 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 176.8 | -74.6 | -175.9 | -177.3 | 97.3 | 4.4 | 112.8 | L73 D93 F95 F101 I114 | L73-R97 PolarHBondContact O-NH2 3.42Å; D93-R97 WeakPolarHBondContact O-CB 3.28Å; D93-R97 VanDerWaalsContact O-CG 3.31Å; D93-R97 WeakPolarHBondContact O-CG 3.14Å; D93-R97 PolarHBondContact O-N 3.04Å; D93-R97 VanDerWaalsContact O-N 3.09Å; F95-R97 VanDerWaalsContact C-N 3.3Å; F95-R97 PolarHBondContact O-N 2.81Å; R97-F101 VanDerWaalsContact O-CB 3.26Å; R97-F101 WeakPolarHBondContact O-CB 3.26Å; R97-F101 PolarHBondContact O-N 2.83Å; R97-I114 HydrophobicContact CG-CD1 4.17Å |
| 98 | R | 97.7 | Very high | 96.4 | Very high | 186 Ų | 186 | 64.2 Ų | 64.2 | 70% | 0.702 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -67.9 | -41.7 | 178.8 | -72.8 | 179.6 | 177.9 | -149.8 | 1.1 | 111.7 | M94 F95 V96 F101 G102 | M94-R98 WeakPolarHBondContact O-CG 3.48Å; M94-R98 PolarHBondContact O-N 3.24Å; M94-R98 VanDerWaalsContact O-N 3.15Å; F95-R98 PolarHBondContact O-N 3.11Å; F95-R98 VanDerWaalsContact O-N 3.1Å; V96-R98 PolarHBondContact O-N 3.18Å; R98-F101 PolarHBondContact O-N 3.42Å; R98-G102 PolarHBondContact O-N 3.47Å |
| 99 | F | 97.7 | Very high | 96.4 | Very high | 33 Ų | 33 | 59.8 Ų | 59.8 | 15% | 0.145 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.6 | -54.4 | 177.4 | 177.8 | -107.3 | 0 | 0 | 0 | 110.5 | F95 V96 F101 G102 T103 Y142 T143 L146 L147 | F95-F99 HydrophobicContact CD1-CB 4.45Å; F95-F99 HydrophobicContact CE1-CB 4.2Å; F95-F99 HydrophobicContact CE1-CG 4.42Å; F95-F99 HydrophobicContact CZ-CB 4.5Å; F95-F99 VanDerWaalsContact O-CB 3.31Å; F95-F99 WeakPolarHBondContact O-CB 3.31Å; F95-F99 PolarHBondContact O-N 2.93Å; V96-F99 PolarHBondContact O-N 2.94Å; F99-F101 VanDerWaalsContact C-N 3.33Å; F99-F101 PolarHBondContact O-N 3.35Å; F99-G102 WeakPolarHBondContact O-CA 3.5Å; F99-G102 PolarHBondContact O-N 2.96Å; F99-T103 PolarHBondContact O-N 3.24Å; F99-T103 PolarHBondContact O-OG1 2.65Å; F99-Y142 HydrophobicContact CE2-CE1 4.41Å; F99-Y142 AromaticContact CZ-CE1 3.86Å; F99-Y142 HydrophobicContact CZ-CE1 3.86Å; F99-T143 HydrophobicContact CE1-CG2 3.6Å; F99-T143 HydrophobicContact CZ-CG2 4.13Å; F99-L146 HydrophobicContact CE2-CD1 4.46Å; F99-L146 HydrophobicContact CE2-CD2 4.33Å; F99-L146 HydrophobicContact CZ-CD1 4.29Å; F99-L146 HydrophobicContact CZ-CD2 4.1Å; F99-L147 HydrophobicContact CD1-CD1 4.09Å; F99-L147 HydrophobicContact CD1-CD2 3.94Å; F99-L147 HydrophobicContact CD1-CG 4.24Å; F99-L147 HydrophobicContact CE1-CD1 4.05Å; F99-L147 HydrophobicContact CE1-CD2 3.97Å; F99-L147 HydrophobicContact CE1-CG 3.93Å |
| 100 | I | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.4 | -40.8 | -179.9 | -62.9 | 162.5 | 0 | 0 | 0 | 111.4 | V96 G102 T103 F104 L108 V112 V123 | V96-I100 HydrophobicContact CG1-CD1 3.47Å; V96-I100 VanDerWaalsContact CG1-CD1 3.47Å; V96-I100 HydrophobicContact CG1-CG1 4.33Å; V96-I100 WeakPolarHBondContact O-CB 3.26Å; V96-I100 WeakPolarHBondContact O-CD1 3.47Å; V96-I100 WeakPolarHBondContact O-CG1 3.44Å; V96-I100 PolarHBondContact O-N 2.87Å; I100-G102 VanDerWaalsContact C-N 3.26Å; I100-G102 PolarHBondContact O-N 3.42Å; I100-T103 PolarHBondContact O-N 3.2Å; I100-F104 HydrophobicContact CG2-CD2 3.79Å; I100-F104 HydrophobicContact CG2-CE2 4.42Å; I100-F104 WeakPolarHBondContact O-CB 3.44Å; I100-F104 PolarHBondContact O-N 3.37Å; I100-L108 HydrophobicContact CG2-CD1 4.16Å; I100-L108 HydrophobicContact CG2-CD2 4.12Å; I100-V112 HydrophobicContact CB-CG2 4.38Å; I100-V112 HydrophobicContact CD1-CG1 3.81Å; I100-V112 HydrophobicContact CD1-CG2 4.27Å; I100-V112 HydrophobicContact CG2-CG2 3.89Å; I100-V123 HydrophobicContact CD1-CG1 3.26Å; I100-V123 HydrophobicContact CG1-CG1 4.5Å |
| 101 | F | 96.7 | Very high | 96.3 | Very high | 132 Ų | 132 | 59 Ų | 59 | 58% | 0.579 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60.6 | -36.6 | 175.9 | -178.3 | -97.3 | 0 | 0 | 0 | 112.4 | R97 R98 F99 L108 | R97-F101 VanDerWaalsContact O-CB 3.26Å; R97-F101 WeakPolarHBondContact O-CB 3.26Å; R97-F101 PolarHBondContact O-N 2.83Å; R98-F101 PolarHBondContact O-N 3.42Å; F99-F101 VanDerWaalsContact C-N 3.33Å; F99-F101 PolarHBondContact O-N 3.35Å; F101-L108 HydrophobicContact CB-CD1 4.45Å; F101-L108 HydrophobicContact CD2-CD1 4.31Å |
| 102 | G | 96.3 | Very high | 96.2 | Very high | 49 Ų | 49 | 54.6 Ų | 54.6 | 51% | 0.505 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -73.8 | -48.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R98 F99 I100 F104 | R98-G102 PolarHBondContact O-N 3.47Å; F99-G102 WeakPolarHBondContact O-CA 3.5Å; F99-G102 PolarHBondContact O-N 2.96Å; I100-G102 VanDerWaalsContact C-N 3.26Å; I100-G102 PolarHBondContact O-N 3.42Å; G102-F104 PolarHBondContact O-N 3.36Å |
| 103 | T | 96.2 | Very high | 96.3 | Very high | 32 Ų | 32 | 54.8 Ų | 54.8 | 20% | 0.196 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.5 | -40.9 | -178 | -52.3 | 0 | 0 | 0 | 0 | 112 | F99 I100 L139 Y142 T143 | F99-T103 PolarHBondContact O-N 3.24Å; F99-T103 PolarHBondContact O-OG1 2.65Å; I100-T103 PolarHBondContact O-N 3.2Å; T103-L139 HydrophobicContact CG2-CD2 3.97Å; T103-Y142 HydrophobicContact CG2-CD1 4.19Å; T103-Y142 HydrophobicContact CG2-CE1 4.15Å; T103-T143 HydrophobicContact CG2-CG2 3.82Å |
| 104 | F | 95.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 61.1 | -178.6 | -62.5 | -77.8 | 0 | 0 | 0 | 111.5 | I100 G102 N106 C107 M127 L136 L139 I140 T143 M157 | I100-F104 HydrophobicContact CG2-CD2 3.79Å; I100-F104 HydrophobicContact CG2-CE2 4.42Å; I100-F104 WeakPolarHBondContact O-CB 3.44Å; I100-F104 PolarHBondContact O-N 3.37Å; G102-F104 PolarHBondContact O-N 3.36Å; F104-N106 PolarHBondContact O-N 3.07Å; F104-C107 HydrophobicContact CB-CB 4.27Å; F104-C107 PolarHBondContact O-N 3.16Å; F104-M127 HydrophobicContact CB-CE 3.54Å; F104-M127 HydrophobicContact CD1-CE 3.09Å; F104-M127 HydrophobicContact CD2-CE 3.8Å; F104-M127 HydrophobicContact CE1-CE 3.54Å; F104-M127 HydrophobicContact CE2-CE 4.2Å; F104-M127 HydrophobicContact CG-CE 3.19Å; F104-M127 HydrophobicContact CZ-CE 4.07Å; F104-L136 HydrophobicContact CD1-CD2 4.47Å; F104-L136 HydrophobicContact CE1-CD2 4.4Å; F104-L139 HydrophobicContact CD1-CB 4.27Å; F104-L139 HydrophobicContact CD1-CD1 3.88Å; F104-L139 HydrophobicContact CE1-CB 3.39Å; F104-L139 HydrophobicContact CE1-CD1 3.84Å; F104-L139 HydrophobicContact CE1-CG 4.27Å; F104-L139 HydrophobicContact CZ-CB 3.72Å; F104-I140 HydrophobicContact CZ-CG1 4.45Å; F104-T143 HydrophobicContact CE2-CG2 3.84Å; F104-T143 HydrophobicContact CZ-CG2 4.24Å; F104-M157 HydrophobicContact CE2-CE 3.94Å; F104-M157 HydrophobicContact CZ-CE 4.39Å |
| 105 | H | 93.3 | Very high | 96.3 | Very high | 121 Ų | 121 | 52.1 Ų | 52.1 | 56% | 0.56 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 126 | -176.2 | -171 | 70.9 | 0 | 0 | 0 | 112.4 | C107 | H105-C107 PolarHBondContact O-N 3.14Å; H105-C107 PolarHBondContact O-SG 3.37Å |
| 106 | N | 91.9 | Very high | 96.3 | Very high | 94 Ų | 94 | 50 Ų | 50 | 50% | 0.503 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 11.8 | -179.7 | -67 | -25.5 | 0 | 0 | 0 | 116.3 | F104 K130 | F104-N106 PolarHBondContact O-N 3.07Å; N106-K130 WeakPolarHBondContact O-CD 3.34Å; N106-K130 WeakPolarHBondContact O-CE 3.36Å; N106-K130 PolarHBondContact O-NZ 3.47Å |
| 107 | C | 93.9 | Very high | 96.2 | Very high | 4 Ų | 4 | 58.7 Ų | 58.7 | 3% | 0.027 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -19.9 | 179.8 | -63.9 | 0 | 0 | 0 | 0 | 112.3 | F104 H105 A109 M127 L128 L131 | F104-C107 HydrophobicContact CB-CB 4.27Å; F104-C107 PolarHBondContact O-N 3.16Å; H105-C107 PolarHBondContact O-N 3.14Å; H105-C107 PolarHBondContact O-SG 3.37Å; C107-A109 PolarHBondContact O-N 2.95Å; C107-M127 HydrophobicContact CB-CE 4.45Å; C107-M127 CarbonylContact O-C 3.56Å; C107-M127 VanDerWaalsContact O-CA 3.25Å; C107-M127 WeakPolarHBondContact O-CA 3.47Å; C107-L128 PolarHBondContact O-N 3.35Å; C107-L131 WeakPolarHBondContact SG-CD1 3.48Å |
| 108 | L | 95.4 | Very high | 95.9 | Very high | 36 Ų | 36 | 59 Ų | 59 | 19% | 0.188 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -72.2 | 123.6 | 178.3 | -66.3 | 174.2 | 0 | 0 | 0 | 111.5 | I100 F101 V112 A125 M127 | I100-L108 HydrophobicContact CG2-CD1 4.16Å; I100-L108 HydrophobicContact CG2-CD2 4.12Å; F101-L108 HydrophobicContact CB-CD1 4.45Å; F101-L108 HydrophobicContact CD2-CD1 4.31Å; L108-V112 HydrophobicContact CD1-CG2 4.12Å; L108-V112 HydrophobicContact CD2-CG2 4.27Å; L108-A125 HydrophobicContact CD2-CB 4.09Å; L108-M127 HydrophobicContact CD2-CE 4.43Å |
| 109 | A | 95.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 2% | 0.017 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -80.1 | -39 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | C107 L126 L128 L162 K165 | C107-A109 PolarHBondContact O-N 2.95Å; A109-L126 HydrophobicContact CB-CB 4.29Å; A109-L126 PolarHBondContact N-O 3.32Å; A109-L128 HydrophobicContact CB-CD2 3.81Å; A109-L128 HydrophobicContact CB-CG 3.94Å; A109-L162 HydrophobicContact CB-CD1 4.07Å; A109-K165 WeakPolarHBondContact O-CE 3.34Å |
| 110 | N | 95.1 | Very high | 95.8 | Very high | 39 Ų | 39 | 58 Ų | 58 | 21% | 0.209 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -134.9 | 175.6 | -178.3 | -79.9 | -26.5 | 0 | 0 | 0 | 111.2 | T56 L126 | T56-N110 WeakPolarHBondContact CB-OD1 3.27Å; T56-N110 VanDerWaalsContact CG2-OD1 3.23Å; T56-N110 WeakPolarHBondContact CG2-OD1 3.38Å; N110-L126 HydrophobicContact CB-CB 4.26Å; N110-L126 HydrophobicContact CB-CD1 3.97Å; N110-L126 VanDerWaalsContact ND2-CD1 3.33Å; N110-L126 WeakPolarHBondContact ND2-CD1 3.24Å |
| 111 | E | 95.2 | Very high | 95.8 | Very high | 104 Ų | 104 | 58.3 Ų | 58.3 | 49% | 0.486 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 148.7 | 172.5 | -62.4 | -173.2 | -166.5 | 0 | 0 | 111.3 | L73 | L73-E111 HydrophobicContact CD1-CB 4.01Å; L73-E111 WeakPolarHBondContact CD1-OE2 3.47Å |
| 112 | V | 97.1 | Very high | 95.9 | Very high | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 136 | -178 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | I100 L108 I114 V123 | I100-V112 HydrophobicContact CB-CG2 4.38Å; I100-V112 HydrophobicContact CD1-CG1 3.81Å; I100-V112 HydrophobicContact CD1-CG2 4.27Å; I100-V112 HydrophobicContact CG2-CG2 3.89Å; L108-V112 HydrophobicContact CD1-CG2 4.12Å; L108-V112 HydrophobicContact CD2-CG2 4.27Å; V112-I114 HydrophobicContact CG1-CG1 4.3Å; V112-V123 HydrophobicContact CG1-CG1 3.62Å |
| 113 | V | 98.2 | Very high | 96 | Very high | 44 Ų | 44 | 50.1 Ų | 50.1 | 27% | 0.267 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 124.1 | 174.6 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | L73 K115 C124 | L73-V113 HydrophobicContact CD2-CG2 3.98Å; L73-V113 CarbonylContact O-C 3.6Å; L73-V113 WeakPolarHBondContact O-CA 3.33Å; V113-K115 HydrophobicContact CG1-CG 4.4Å; V113-C124 HydrophobicContact CB-CB 4.2Å; V113-C124 PolarHBondContact N-O 2.76Å; V113-C124 PolarHBondContact O-N 3.41Å |
| 114 | I | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 129.2 | -178.4 | -54.6 | 174.8 | 0 | 0 | 0 | 108.6 | L73 S74 Q75 D93 V96 R97 V112 L121 | L73-I114 PolarHBondContact O-N 2.81Å; S74-I114 CarbonylContact C-O 3.44Å; S74-I114 WeakPolarHBondContact CA-O 3.23Å; Q75-I114 PolarHBondContact N-O 3.27Å; D93-I114 HydrophobicContact CB-CD1 4.16Å; V96-I114 HydrophobicContact CB-CD1 4.21Å; V96-I114 HydrophobicContact CG1-CD1 4Å; V96-I114 HydrophobicContact CG1-CG1 4.49Å; R97-I114 HydrophobicContact CG-CD1 4.17Å; V112-I114 HydrophobicContact CG1-CG1 4.3Å; I114-L121 HydrophobicContact CG2-CD1 3.68Å |
| 115 | K | 98.1 | Very high | 96.1 | Very high | 59 Ų | 59 | 49.7 Ų | 49.7 | 26% | 0.257 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 124.2 | 177.6 | -58.4 | 171.6 | -175.4 | 164.1 | 0 | 108.6 | V113 V122 | V113-K115 HydrophobicContact CG1-CG 4.4Å; K115-V122 HydrophobicContact CB-CB 4.28Å; K115-V122 PolarHBondContact N-O 3.27Å; K115-V122 PolarHBondContact O-N 2.99Å |
| 116 | R | 97.2 | Very high | 96.3 | Very high | 35 Ų | 35 | 46.2 Ų | 46.2 | 13% | 0.132 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 123.3 | 169.8 | -69.5 | -174 | -179.9 | 75.1 | -1.7 | 109.6 | Q75 H76 R89 E92 D93 L121 | Q75-R116 PolarHBondContact O-N 3.44Å; H76-R116 HydrophobicContact CB-CB 4.35Å; R89-R116 PolarHBondContact O-NH2 2.72Å; E92-R116 IonicContact OE2-CZ 3.14Å; E92-R116 IonicContact OE2-NE 2.76Å; E92-R116 PolarHBondContact OE2-NE 2.9Å; E92-R116 IonicContact OE2-NH2 3.45Å; E92-R116 PolarHBondContact OE2-NH2 2.95Å; D93-R116 IonicContact OD1-CZ 3.33Å; D93-R116 IonicContact OD1-NH1 2.78Å; D93-R116 PolarHBondContact OD1-NH1 3.39Å; D93-R116 IonicContact OD1-NH2 3.11Å; D93-R116 PolarHBondContact OD1-NH2 3.42Å; D93-R116 IonicContact OD2-NH1 3.95Å; D93-R116 PolarHBondContact OD2-NH1 2.94Å; R116-L121 HydrophobicContact CG-CD1 3.84Å |
| 117 | R | 95.5 | Very high | 96.4 | Very high | 182 Ų | 182 | 41.8 Ų | 41.8 | 69% | 0.687 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 93.7 | 175.9 | -68.4 | -175.1 | 175.4 | -174.1 | -1.4 | 108.3 | N119 M120 | R117-N119 PolarHBondContact O-N 3.15Å; R117-M120 PolarHBondContact N-O 3.22Å; R117-M120 PolarHBondContact O-N 3.14Å |
| 118 | G | 93.2 | Very high | 96.5 | Very high | 79 Ų | 79 | 42.5 Ų | 42.5 | 81% | 0.814 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | -124.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | M120 | G118-M120 VanDerWaalsContact C-N 3.32Š|
| 119 | N | 95.3 | Very high | 96.4 | Very high | 115 Ų | 115 | 46.7 Ų | 46.7 | 62% | 0.615 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -10.9 | 177.7 | -164.1 | 27.5 | 0 | 0 | 0 | 113.8 | R117 C153 P154 | R117-N119 PolarHBondContact O-N 3.15Å; N119-C153 WeakPolarHBondContact O-CB 3.42Å; N119-C153 WeakPolarHBondContact OD1-CB 3.22Å; N119-P154 WeakPolarHBondContact O-CD 3.37Å |
| 120 | M | 96.8 | Very high | 96.2 | Very high | 84 Ų | 84 | 52.8 Ų | 52.8 | 41% | 0.414 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 127.9 | -177 | -171 | 178.4 | -72.1 | 0 | 0 | 111.8 | R117 G118 V122 P154 | R117-M120 PolarHBondContact N-O 3.22Å; R117-M120 PolarHBondContact O-N 3.14Å; G118-M120 VanDerWaalsContact C-N 3.32Å; M120-V122 HydrophobicContact CG-CG2 4Å; M120-V122 HydrophobicContact SD-CG2 4.04Å; M120-P154 WeakPolarHBondContact CA-O 3.37Å; M120-P154 HydrophobicContact CB-CG 4.37Å |
| 121 | L | 97.8 | Very high | 96.1 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 112.2 | 171.1 | -177.3 | 77.3 | 0 | 0 | 0 | 109 | V96 I114 R116 V123 P154 V155 K156 | V96-L121 HydrophobicContact CG2-CD2 4.29Å; I114-L121 HydrophobicContact CG2-CD1 3.68Å; R116-L121 HydrophobicContact CG-CD1 3.84Å; L121-V123 HydrophobicContact CD2-CG2 4.17Å; L121-V123 HydrophobicContact CG-CG2 4.18Å; L121-P154 PolarHBondContact N-O 3.33Å; L121-V155 HydrophobicContact CB-CG1 4.46Å; L121-V155 HydrophobicContact CB-CG2 4.13Å; L121-V155 HydrophobicContact CD2-CG1 3.97Å; L121-V155 HydrophobicContact CD2-CG2 3.95Å; L121-V155 HydrophobicContact CG-CG1 4.45Å; L121-V155 CarbonylContact O-C 3.59Å; L121-V155 WeakPolarHBondContact O-CA 3.28Å; L121-K156 PolarHBondContact O-N 2.98Å |
| 122 | V | 98.3 | Very high | 96.1 | Very high | 8 Ų | 8 | 51.5 Ų | 51.5 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 119.6 | 175.3 | -173.8 | 0 | 0 | 0 | 0 | 109.1 | K115 M120 K156 E158 | K115-V122 HydrophobicContact CB-CB 4.28Å; K115-V122 PolarHBondContact N-O 3.27Å; K115-V122 PolarHBondContact O-N 2.99Å; M120-V122 HydrophobicContact CG-CG2 4Å; M120-V122 HydrophobicContact SD-CG2 4.04Å; V122-K156 WeakPolarHBondContact CA-O 3.48Å; V122-E158 HydrophobicContact CG1-CG 3.93Å |
| 123 | V | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 113.1 | 179.4 | 176.6 | 0 | 0 | 0 | 0 | 108.4 | V96 I100 V112 L121 V155 K156 M157 E158 | V96-V123 HydrophobicContact CG1-CG2 3.99Å; I100-V123 HydrophobicContact CD1-CG1 3.26Å; I100-V123 HydrophobicContact CG1-CG1 4.5Å; V112-V123 HydrophobicContact CG1-CG1 3.62Å; L121-V123 HydrophobicContact CD2-CG2 4.17Å; L121-V123 HydrophobicContact CG-CG2 4.18Å; V123-V155 HydrophobicContact CG2-CG1 4.46Å; V123-K156 PolarHBondContact N-O 2.78Å; V123-M157 HydrophobicContact CB-SD 3.47Å; V123-M157 WeakPolarHBondContact CB-SD 3.33Å; V123-M157 HydrophobicContact CG1-CE 4.15Å; V123-M157 HydrophobicContact CG1-SD 3.44Å; V123-M157 WeakPolarHBondContact CG1-SD 3.49Å; V123-M157 HydrophobicContact CG2-SD 4.19Å; V123-M157 WeakPolarHBondContact O-CA 3.49Å; V123-E158 PolarHBondContact O-N 3.48Å |
| 124 | C | 98.1 | Very high | 95.9 | Very high | 22 Ų | 22 | 60.9 Ų | 60.9 | 15% | 0.149 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 124.6 | 177.9 | -52.9 | 0 | 0 | 0 | 0 | 110.2 | V113 E158 | V113-C124 HydrophobicContact CB-CB 4.2Å; V113-C124 PolarHBondContact N-O 2.76Å; V113-C124 PolarHBondContact O-N 3.41Å; C124-E158 CarbonylContact C-O 3.44Å; C124-E158 VanDerWaalsContact CA-O 3.28Å; C124-E158 WeakPolarHBondContact CA-O 3.17Å |
| 125 | A | 96.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 67 Ų | 67 | 3% | 0.025 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 132.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L108 M127 E158 V159 Q160 | L108-A125 HydrophobicContact CD2-CB 4.09Å; A125-M127 HydrophobicContact CB-CG 4.21Å; A125-E158 PolarHBondContact N-O 2.65Å; A125-V159 WeakPolarHBondContact O-CA 3.26Å; A125-Q160 PolarHBondContact O-N 3.12Å |
| 126 | L | 96.8 | Very high | 95.6 | Very high | 48 Ų | 48 | 65 Ų | 65 | 25% | 0.251 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 118.7 | 167.8 | -65.2 | 179.8 | 0 | 0 | 0 | 108.8 | A109 N110 Q160 L162 | A109-L126 HydrophobicContact CB-CB 4.29Å; A109-L126 PolarHBondContact N-O 3.32Å; N110-L126 HydrophobicContact CB-CB 4.26Å; N110-L126 HydrophobicContact CB-CD1 3.97Å; N110-L126 VanDerWaalsContact ND2-CD1 3.33Å; N110-L126 WeakPolarHBondContact ND2-CD1 3.24Å; L126-Q160 WeakPolarHBondContact CA-O 3.33Å; L126-Q160 HydrophobicContact CD2-CB 3.8Å; L126-Q160 HydrophobicContact CD2-CG 4Å; L126-Q160 VanDerWaalsContact CD2-OE1 3.31Å; L126-L162 HydrophobicContact CB-CD1 4.34Å |
| 127 | M | 95.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 146.4 | -171.4 | -57.6 | -171.8 | 111.2 | 0 | 0 | 112.3 | F104 C107 L108 A125 L136 V159 Q160 T161 L162 | F104-M127 HydrophobicContact CB-CE 3.54Å; F104-M127 HydrophobicContact CD1-CE 3.09Å; F104-M127 HydrophobicContact CD2-CE 3.8Å; F104-M127 HydrophobicContact CE1-CE 3.54Å; F104-M127 HydrophobicContact CE2-CE 4.2Å; F104-M127 HydrophobicContact CG-CE 3.19Å; F104-M127 HydrophobicContact CZ-CE 4.07Å; C107-M127 HydrophobicContact CB-CE 4.45Å; C107-M127 CarbonylContact O-C 3.56Å; C107-M127 VanDerWaalsContact O-CA 3.25Å; C107-M127 WeakPolarHBondContact O-CA 3.47Å; L108-M127 HydrophobicContact CD2-CE 4.43Å; A125-M127 HydrophobicContact CB-CG 4.21Å; M127-L136 HydrophobicContact CE-CD2 4.48Å; M127-L136 HydrophobicContact SD-CD2 4.31Å; M127-V159 HydrophobicContact CB-CG1 4.19Å; M127-V159 HydrophobicContact CG-CG1 3.78Å; M127-V159 HydrophobicContact SD-CB 4.2Å; M127-V159 HydrophobicContact SD-CG1 3.33Å; M127-V159 WeakPolarHBondContact SD-CG1 3.36Å; M127-V159 HydrophobicContact SD-CG2 3.78Å; M127-Q160 PolarHBondContact N-O 2.87Å; M127-T161 CarbonylContact O-C 3.55Å; M127-T161 VanDerWaalsContact O-CA 3.26Å; M127-T161 WeakPolarHBondContact O-CA 3.37Å; M127-L162 PolarHBondContact O-N 3.34Å |
| 128 | L | 95.6 | Very high | 95.7 | Very high | 20 Ų | 20 | 69.8 Ų | 69.8 | 11% | 0.105 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 144.9 | 170.5 | -61 | 173.9 | 0 | 0 | 0 | 109.8 | C107 A109 K130 L162 | C107-L128 PolarHBondContact O-N 3.35Å; A109-L128 HydrophobicContact CB-CD2 3.81Å; A109-L128 HydrophobicContact CB-CG 3.94Å; L128-K130 HydrophobicContact CB-CD 4.46Å; L128-K130 HydrophobicContact CB-CG 4.1Å; L128-K130 PolarHBondContact O-N 3.09Å; L128-L162 WeakPolarHBondContact CA-O 3.25Å |
| 129 | Q | 93.1 | Very high | 95.9 | Very high | 124 Ų | 124 | 67.7 Ų | 67.7 | 58% | 0.579 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -77.1 | 51.9 | 179.8 | -65.5 | 175.7 | -8.5 | 0 | 0 | 112.8 | T161 L162 | Q129-T161 HydrophobicContact CG-CG2 4.47Å; Q129-T161 PolarHBondContact NE2-OG1 2.86Å; Q129-T161 VanDerWaalsContact NE2-OG1 3.16Å; Q129-L162 PolarHBondContact N-O 2.95Å; Q129-L162 VanDerWaalsContact N-O 3.16Å |
| 130 | K | 91.3 | Very high | 96 | Very high | 130 Ų | 130 | 63.4 Ų | 63.4 | 57% | 0.565 | 31% | 0.306 | S | S | * | . | trans | -89.1 | -19.3 | 179.9 | -66.9 | -175.4 | -177.4 | 172.7 | 0 | 114.2 | N106 L128 | N106-K130 WeakPolarHBondContact O-CD 3.34Å; N106-K130 WeakPolarHBondContact O-CE 3.36Å; N106-K130 PolarHBondContact O-NZ 3.47Å; L128-K130 HydrophobicContact CB-CD 4.46Å; L128-K130 HydrophobicContact CB-CG 4.1Å; L128-K130 PolarHBondContact O-N 3.09Å | ||
| 131 | L | 91.6 | Very high | 96 | Very high | 55 Ų | 55 | 60.8 Ų | 60.8 | 29% | 0.288 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -112.5 | 147.2 | -177.7 | -69.8 | 175.6 | 0 | 0 | 0 | 110.3 | C107 L136 L139 | C107-L131 WeakPolarHBondContact SG-CD1 3.48Å; L131-L136 HydrophobicContact CB-CD1 4.33Å; L131-L136 HydrophobicContact CB-CD2 4.09Å; L131-L136 HydrophobicContact CB-CG 3.88Å; L131-L136 HydrophobicContact CD1-CD2 4.02Å; L131-L139 HydrophobicContact CD1-CD1 4.32Å |
| 132 | P | 95 | Very high | 96 | Very high | 61 Ų | 61 | 65.3 Ų | 65.3 | 40% | 0.396 | 32% | 0.318 | S | S | . | . | trans | -64.1 | 148.8 | 172.6 | 28.6 | -34.7 | 0 | 0 | 0 | 110.2 | Q134 K135 L136 | P132-Q134 VanDerWaalsContact C-N 3.26Å; P132-Q134 PolarHBondContact O-N 3.1Å; P132-K135 HydrophobicContact CG-CB 4.18Å; P132-K135 HydrophobicContact CG-CD 3.82Å; P132-K135 HydrophobicContact CG-CG 3.94Å; P132-K135 PolarHBondContact O-N 3.31Å; P132-K135 VanDerWaalsContact O-N 3.11Å; P132-L136 PolarHBondContact O-N 2.93Å | ||
| 133 | P | 94.7 | Very high | 96 | Very high | 84 Ų | 84 | 64.9 Ų | 64.9 | 55% | 0.545 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59 | -36.2 | -173.1 | 21.8 | -33 | 0 | 0 | 0 | 112.6 | K135 L136 Y137 | P133-K135 VanDerWaalsContact C-N 3.34Å; P133-K135 PolarHBondContact O-N 3.4Å; P133-L136 WeakPolarHBondContact O-CB 3.31Å; P133-L136 PolarHBondContact O-N 2.79Å; P133-L136 VanDerWaalsContact O-N 3.14Å; P133-Y137 HydrophobicContact CB-CD2 4.34Å; P133-Y137 HydrophobicContact CB-CE2 4.19Å; P133-Y137 WeakPolarHBondContact O-CD2 3.29Å; P133-Y137 PolarHBondContact O-N 3.06Å |
| 134 | Q | 96.4 | Very high | 96 | Very high | 163 Ų | 163 | 67.5 Ų | 67.5 | 76% | 0.762 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -57.6 | -44.4 | 178.3 | -66.1 | 174.4 | -17.8 | 0 | 0 | 112.6 | P132 F138 | P132-Q134 VanDerWaalsContact C-N 3.26Å; P132-Q134 PolarHBondContact O-N 3.1Å; Q134-F138 WeakPolarHBondContact O-CB 3.5Å; Q134-F138 PolarHBondContact O-N 3.38Å |
| 135 | K | 95.8 | Very high | 96 | Very high | 129 Ų | 129 | 70.2 Ų | 70.2 | 56% | 0.561 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -69.3 | -37.2 | 177.2 | -70.8 | -176.3 | -177.5 | 179.6 | 0 | 111.4 | P132 P133 F138 L139 | P132-K135 HydrophobicContact CG-CB 4.18Å; P132-K135 HydrophobicContact CG-CD 3.82Å; P132-K135 HydrophobicContact CG-CG 3.94Å; P132-K135 PolarHBondContact O-N 3.31Å; P132-K135 VanDerWaalsContact O-N 3.11Å; P133-K135 VanDerWaalsContact C-N 3.34Å; P133-K135 PolarHBondContact O-N 3.4Å; K135-F138 PolarHBondContact O-N 3.36Å; K135-L139 WeakPolarHBondContact O-CB 3.36Å; K135-L139 WeakPolarHBondContact O-CG 3.19Å; K135-L139 PolarHBondContact O-N 2.97Å |
| 136 | L | 95.1 | Very high | 96.1 | Very high | 17 Ų | 17 | 72.7 Ų | 72.7 | 9% | 0.089 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.9 | -49.4 | 176.1 | -74.3 | 170.5 | 0 | 0 | 0 | 111.2 | F104 M127 L131 P132 P133 F138 L139 I140 | F104-L136 HydrophobicContact CD1-CD2 4.47Å; F104-L136 HydrophobicContact CE1-CD2 4.4Å; M127-L136 HydrophobicContact CE-CD2 4.48Å; M127-L136 HydrophobicContact SD-CD2 4.31Å; L131-L136 HydrophobicContact CB-CD1 4.33Å; L131-L136 HydrophobicContact CB-CD2 4.09Å; L131-L136 HydrophobicContact CB-CG 3.88Å; L131-L136 HydrophobicContact CD1-CD2 4.02Å; P132-L136 PolarHBondContact O-N 2.93Å; P133-L136 WeakPolarHBondContact O-CB 3.31Å; P133-L136 PolarHBondContact O-N 2.79Å; P133-L136 VanDerWaalsContact O-N 3.14Å; L136-F138 VanDerWaalsContact C-N 3.32Å; L136-F138 PolarHBondContact O-N 3.45Å; L136-L139 PolarHBondContact O-N 2.81Å; L136-I140 WeakPolarHBondContact O-CB 3.47Å; L136-I140 WeakPolarHBondContact O-CD1 3.32Å; L136-I140 WeakPolarHBondContact O-CG1 3.49Å; L136-I140 PolarHBondContact O-N 2.9Å |
| 137 | Y | 96.6 | Very high | 96.2 | Very high | 174 Ų | 174 | 70.4 Ų | 70.4 | 68% | 0.682 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.4 | -39.5 | 176.8 | -75.4 | -65.3 | 0 | 0 | 0 | 112.6 | P133 I140 G141 | P133-Y137 HydrophobicContact CB-CD2 4.34Å; P133-Y137 HydrophobicContact CB-CE2 4.19Å; P133-Y137 WeakPolarHBondContact O-CD2 3.29Å; P133-Y137 PolarHBondContact O-N 3.06Å; Y137-I140 HydrophobicContact CD1-CD1 4.49Å; Y137-I140 PolarHBondContact O-N 3.01Å; Y137-G141 PolarHBondContact O-N 2.99Å |
| 138 | F | 97.5 | Very high | 96.3 | Very high | 143 Ų | 143 | 71.9 Ų | 71.9 | 63% | 0.627 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -59.1 | -50.3 | 173.3 | 174.2 | -95.5 | 0 | 0 | 0 | 111.8 | Q134 K135 L136 I140 G141 Y142 | Q134-F138 WeakPolarHBondContact O-CB 3.5Å; Q134-F138 PolarHBondContact O-N 3.38Å; K135-F138 PolarHBondContact O-N 3.36Å; L136-F138 VanDerWaalsContact C-N 3.32Å; L136-F138 PolarHBondContact O-N 3.45Å; F138-I140 VanDerWaalsContact C-N 3.33Å; F138-I140 PolarHBondContact O-N 3.26Å; F138-G141 PolarHBondContact O-N 2.78Å; F138-Y142 WeakPolarHBondContact O-CB 3.35Å; F138-Y142 PolarHBondContact O-N 3.1Å |
| 139 | L | 97.1 | Very high | 96.4 | Very high | 35 Ų | 35 | 77.5 Ų | 77.5 | 18% | 0.183 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.1 | -37.7 | 179.7 | -70.4 | 175.3 | 0 | 0 | 0 | 111.9 | T103 F104 L131 K135 L136 Y142 T143 | T103-L139 HydrophobicContact CG2-CD2 3.97Å; F104-L139 HydrophobicContact CD1-CB 4.27Å; F104-L139 HydrophobicContact CD1-CD1 3.88Å; F104-L139 HydrophobicContact CE1-CB 3.39Å; F104-L139 HydrophobicContact CE1-CD1 3.84Å; F104-L139 HydrophobicContact CE1-CG 4.27Å; F104-L139 HydrophobicContact CZ-CB 3.72Å; L131-L139 HydrophobicContact CD1-CD1 4.32Å; K135-L139 WeakPolarHBondContact O-CB 3.36Å; K135-L139 WeakPolarHBondContact O-CG 3.19Å; K135-L139 PolarHBondContact O-N 2.97Å; L136-L139 PolarHBondContact O-N 2.81Å; L139-Y142 PolarHBondContact O-N 3.44Å; L139-T143 VanDerWaalsContact O-CG2 3.32Å; L139-T143 WeakPolarHBondContact O-CG2 3.47Å; L139-T143 PolarHBondContact O-N 3.49Å; L139-T143 PolarHBondContact O-OG1 2.95Å; L139-T143 VanDerWaalsContact O-OG1 3.1Å |
| 140 | I | 97.3 | Very high | 96.6 | Very high | 26 Ų | 26 | 77.5 Ų | 77.5 | 13% | 0.133 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -57.1 | -55.1 | 173.9 | -71.4 | 164 | 0 | 0 | 0 | 109.6 | F104 L136 Y137 F138 Y142 T143 E144 M157 V159 | F104-I140 HydrophobicContact CZ-CG1 4.45Å; L136-I140 WeakPolarHBondContact O-CB 3.47Å; L136-I140 WeakPolarHBondContact O-CD1 3.32Å; L136-I140 WeakPolarHBondContact O-CG1 3.49Å; L136-I140 PolarHBondContact O-N 2.9Å; Y137-I140 HydrophobicContact CD1-CD1 4.49Å; Y137-I140 PolarHBondContact O-N 3.01Å; F138-I140 VanDerWaalsContact C-N 3.33Å; F138-I140 PolarHBondContact O-N 3.26Å; I140-Y142 VanDerWaalsContact C-N 3.34Å; I140-Y142 PolarHBondContact O-N 3.02Å; I140-T143 PolarHBondContact O-N 2.87Å; I140-T143 VanDerWaalsContact O-N 3.13Å; I140-T143 PolarHBondContact O-OG1 3.46Å; I140-E144 WeakPolarHBondContact O-CG 3.45Å; I140-E144 PolarHBondContact O-N 2.8Å; I140-M157 HydrophobicContact CG2-CB 4.07Å; I140-V159 HydrophobicContact CD1-CB 4.29Å; I140-V159 HydrophobicContact CD1-CG2 3.84Å; I140-V159 HydrophobicContact CG1-CG2 4.03Å |
| 141 | G | 98.1 | Very high | 96.9 | Very high | 29 Ų | 29 | 73.7 Ų | 73.7 | 30% | 0.299 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.6 | -39.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y137 F138 E144 T145 | Y137-G141 PolarHBondContact O-N 2.99Å; F138-G141 PolarHBondContact O-N 2.78Å; G141-E144 PolarHBondContact O-N 3.4Å; G141-T145 WeakPolarHBondContact O-CB 3.32Å; G141-T145 WeakPolarHBondContact O-CG2 3.46Å; G141-T145 PolarHBondContact O-N 2.85Å; G141-T145 PolarHBondContact O-OG1 2.85Å |
| 142 | Y | 98.1 | Very high | 97.2 | Very high | 100 Ų | 100 | 79 Ų | 79 | 39% | 0.392 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.6 | -46.9 | 172.8 | 165 | -101.7 | 0 | 0 | 0 | 111.8 | F99 T103 F138 L139 I140 T145 L146 | F99-Y142 HydrophobicContact CE2-CE1 4.41Å; F99-Y142 AromaticContact CZ-CE1 3.86Å; F99-Y142 HydrophobicContact CZ-CE1 3.86Å; T103-Y142 HydrophobicContact CG2-CD1 4.19Å; T103-Y142 HydrophobicContact CG2-CE1 4.15Å; F138-Y142 WeakPolarHBondContact O-CB 3.35Å; F138-Y142 PolarHBondContact O-N 3.1Å; L139-Y142 PolarHBondContact O-N 3.44Å; I140-Y142 VanDerWaalsContact C-N 3.34Å; I140-Y142 PolarHBondContact O-N 3.02Å; Y142-T145 PolarHBondContact O-OG1 3.13Å; Y142-T145 VanDerWaalsContact O-OG1 3.12Å; Y142-L146 HydrophobicContact CE1-CD1 4.32Å; Y142-L146 HydrophobicContact CE2-CD1 3.66Å; Y142-L146 VanDerWaalsContact CZ-CD1 3.5Å; Y142-L146 WeakPolarHBondContact O-CB 3.49Å; Y142-L146 PolarHBondContact O-N 3.38Å; Y142-L146 VanDerWaalsContact OH-CD1 3.25Å; Y142-L146 WeakPolarHBondContact OH-CD1 3.2Å |
| 143 | T | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68 | -41.8 | -179.9 | 54.5 | 0 | 0 | 0 | 0 | 112.7 | F99 T103 F104 L139 I140 L147 M157 | F99-T143 HydrophobicContact CE1-CG2 3.6Å; F99-T143 HydrophobicContact CZ-CG2 4.13Å; T103-T143 HydrophobicContact CG2-CG2 3.82Å; F104-T143 HydrophobicContact CE2-CG2 3.84Å; F104-T143 HydrophobicContact CZ-CG2 4.24Å; L139-T143 VanDerWaalsContact O-CG2 3.32Å; L139-T143 WeakPolarHBondContact O-CG2 3.47Å; L139-T143 PolarHBondContact O-N 3.49Å; L139-T143 PolarHBondContact O-OG1 2.95Å; L139-T143 VanDerWaalsContact O-OG1 3.1Å; I140-T143 PolarHBondContact O-N 2.87Å; I140-T143 VanDerWaalsContact O-N 3.13Å; I140-T143 PolarHBondContact O-OG1 3.46Å; T143-L147 VanDerWaalsContact O-CB 3.24Å; T143-L147 WeakPolarHBondContact O-CB 3.47Å; T143-L147 WeakPolarHBondContact O-CG 3.46Å; T143-L147 PolarHBondContact O-N 2.95Å; T143-M157 WeakPolarHBondContact OG1-CG 3.18Å |
| 144 | E | 98.2 | Very high | 97.4 | Very high | 55 Ų | 55 | 76 Ų | 76 | 26% | 0.257 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.3 | -48.3 | 178.6 | -71.7 | -177.1 | 154.8 | 0 | 0 | 111.3 | I140 G141 S148 M157 | I140-E144 WeakPolarHBondContact O-CG 3.45Å; I140-E144 PolarHBondContact O-N 2.8Å; G141-E144 PolarHBondContact O-N 3.4Å; E144-S148 WeakPolarHBondContact O-CB 3.09Å; E144-S148 PolarHBondContact O-N 3.45Å; E144-S148 PolarHBondContact O-OG 2.88Å; E144-M157 HydrophobicContact CG-CB 3.92Å; E144-M157 HydrophobicContact CG-CG 3.7Å; E144-M157 PolarHBondContact OE1-N 3Å |
| 145 | T | 98.4 | Very high | 97.5 | Very high | 79 Ų | 79 | 68.9 Ų | 68.9 | 49% | 0.485 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.9 | -49.6 | -179.6 | 51.9 | 0 | 0 | 0 | 0 | 111.8 | G141 Y142 S148 H149 | G141-T145 WeakPolarHBondContact O-CB 3.32Å; G141-T145 WeakPolarHBondContact O-CG2 3.46Å; G141-T145 PolarHBondContact O-N 2.85Å; G141-T145 PolarHBondContact O-OG1 2.85Å; Y142-T145 PolarHBondContact O-OG1 3.13Å; Y142-T145 VanDerWaalsContact O-OG1 3.12Å; T145-S148 PolarHBondContact O-N 3.04Å; T145-H149 PolarHBondContact O-CD2 2.91Å; T145-H149 PolarHBondContact O-N 3.14Å |
| 146 | L | 98.3 | Very high | 97.6 | Very high | 54 Ų | 54 | 67.3 Ų | 67.3 | 28% | 0.283 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.2 | -50.5 | -179.1 | -174.1 | 157.7 | 0 | 0 | 0 | 111.4 | F99 Y142 S148 H149 F150 | F99-L146 HydrophobicContact CE2-CD1 4.46Å; F99-L146 HydrophobicContact CE2-CD2 4.33Å; F99-L146 HydrophobicContact CZ-CD1 4.29Å; F99-L146 HydrophobicContact CZ-CD2 4.1Å; Y142-L146 HydrophobicContact CE1-CD1 4.32Å; Y142-L146 HydrophobicContact CE2-CD1 3.66Å; Y142-L146 VanDerWaalsContact CZ-CD1 3.5Å; Y142-L146 WeakPolarHBondContact O-CB 3.49Å; Y142-L146 PolarHBondContact O-N 3.38Å; Y142-L146 VanDerWaalsContact OH-CD1 3.25Å; Y142-L146 WeakPolarHBondContact OH-CD1 3.2Å; L146-S148 VanDerWaalsContact C-N 3.29Å; L146-S148 PolarHBondContact O-N 3.38Å; L146-H149 PolarHBondContact O-N 3.22Å; L146-F150 WeakPolarHBondContact O-CB 3.49Å; L146-F150 PolarHBondContact O-N 3.35Å |
| 147 | L | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.8 | -34 | -178.3 | -65.8 | 177.7 | 0 | 0 | 0 | 111.4 | F95 F99 T143 F150 Y151 V155 | F95-L147 HydrophobicContact CE1-CD2 3.94Å; F99-L147 HydrophobicContact CD1-CD1 4.09Å; F99-L147 HydrophobicContact CD1-CD2 3.94Å; F99-L147 HydrophobicContact CD1-CG 4.24Å; F99-L147 HydrophobicContact CE1-CD1 4.05Å; F99-L147 HydrophobicContact CE1-CD2 3.97Å; F99-L147 HydrophobicContact CE1-CG 3.93Å; T143-L147 VanDerWaalsContact O-CB 3.24Å; T143-L147 WeakPolarHBondContact O-CB 3.47Å; T143-L147 WeakPolarHBondContact O-CG 3.46Å; T143-L147 PolarHBondContact O-N 2.95Å; L147-F150 PolarHBondContact O-N 3.01Å; L147-Y151 HydrophobicContact CB-CD2 4.45Å; L147-Y151 HydrophobicContact CD2-CD2 4.38Å; L147-Y151 HydrophobicContact CD2-CE2 4.04Å; L147-Y151 PolarHBondContact O-N 3.41Å; L147-V155 HydrophobicContact CB-CB 4.19Å; L147-V155 HydrophobicContact CB-CG1 4.11Å; L147-V155 HydrophobicContact CB-CG2 3.8Å; L147-V155 HydrophobicContact CD1-CG1 4.2Å |
| 148 | S | 98.1 | Very high | 97.7 | Very high | 32 Ų | 32 | 62.4 Ų | 62.4 | 22% | 0.224 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 174.9 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | E144 T145 L146 K152 C153 V155 | E144-S148 WeakPolarHBondContact O-CB 3.09Å; E144-S148 PolarHBondContact O-N 3.45Å; E144-S148 PolarHBondContact O-OG 2.88Å; T145-S148 PolarHBondContact O-N 3.04Å; L146-S148 VanDerWaalsContact C-N 3.29Å; L146-S148 PolarHBondContact O-N 3.38Å; S148-K152 VanDerWaalsContact O-CA 3.25Å; S148-K152 WeakPolarHBondContact O-CA 3.41Å; S148-K152 PolarHBondContact O-N 3.26Å; S148-C153 WeakPolarHBondContact CA-O 3.24Å; S148-C153 WeakPolarHBondContact CB-O 3.46Å; S148-C153 PolarHBondContact O-N 3.41Å; S148-C153 PolarHBondContact OG-O 3.1Å; S148-V155 PolarHBondContact OG-N 3.33Å; S148-V155 VanDerWaalsContact OG-N 3.1Å |
| 149 | H | 98.3 | Very high | 97.7 | Very high | 137 Ų | 137 | 57.9 Ų | 57.9 | 63% | 0.634 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -70.7 | -31.4 | 175.6 | -76.1 | -65.7 | 0 | 0 | 0 | 113.5 | T145 L146 K152 | T145-H149 PolarHBondContact O-CD2 2.91Å; T145-H149 PolarHBondContact O-N 3.14Å; L146-H149 PolarHBondContact O-N 3.22Å; H149-K152 WeakPolarHBondContact O-CD 3.27Å; H149-K152 VanDerWaalsContact O-CE 3.22Å; H149-K152 WeakPolarHBondContact O-CE 3.49Å; H149-K152 PolarHBondContact O-NZ 3.37Å |
| 150 | F | 97.7 | Very high | 97.6 | Very high | 125 Ų | 125 | 61.9 Ų | 61.9 | 55% | 0.548 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -74.5 | -51 | 179.8 | -173.7 | -105 | 0 | 0 | 0 | 111.8 | F95 L146 L147 | F95-F150 HydrophobicContact CE1-CD1 4.38Å; F95-F150 HydrophobicContact CE1-CE1 4.24Å; F95-F150 HydrophobicContact CZ-CE1 4.38Å; L146-F150 WeakPolarHBondContact O-CB 3.49Å; L146-F150 PolarHBondContact O-N 3.35Å; L147-F150 PolarHBondContact O-N 3.01Å |
| 151 | Y | 96.6 | Very high | 97.6 | Very high | 50 Ų | 50 | 63.8 Ų | 63.8 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -88.3 | -5.7 | -178 | -69.9 | -58.3 | 0 | 0 | 0 | 114.6 | E92 F95 V96 L147 C153 | E92-Y151 HydrophobicContact CB-CE1 4.23Å; E92-Y151 HydrophobicContact CG-CD1 4.22Å; E92-Y151 HydrophobicContact CG-CE1 3.66Å; F95-Y151 WeakPolarHBondContact CB-OH 3.49Å; F95-Y151 HydrophobicContact CD1-CE2 4.18Å; F95-Y151 AromaticContact CD1-CZ 3.91Å; F95-Y151 WeakPolarHBondContact CD1-OH 3.47Å; F95-Y151 HydrophobicContact CE1-CE2 4.46Å; F95-Y151 WeakPolarHBondContact CG-OH 2.98Å; V96-Y151 HydrophobicContact CG2-CE2 3.92Å; L147-Y151 HydrophobicContact CB-CD2 4.45Å; L147-Y151 HydrophobicContact CD2-CD2 4.38Å; L147-Y151 HydrophobicContact CD2-CE2 4.04Å; L147-Y151 PolarHBondContact O-N 3.41Å; Y151-C153 PolarHBondContact O-N 3.01Å |
| 152 | K | 97.7 | Very high | 97.4 | Very high | 165 Ų | 165 | 64.5 Ų | 64.5 | 72% | 0.717 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 30.6 | -177.4 | -48.9 | -58.6 | -179.7 | -166.4 | 0 | 113 | S148 H149 | S148-K152 VanDerWaalsContact O-CA 3.25Å; S148-K152 WeakPolarHBondContact O-CA 3.41Å; S148-K152 PolarHBondContact O-N 3.26Å; H149-K152 WeakPolarHBondContact O-CD 3.27Å; H149-K152 VanDerWaalsContact O-CE 3.22Å; H149-K152 WeakPolarHBondContact O-CE 3.49Å; H149-K152 PolarHBondContact O-NZ 3.37Å |
| 153 | C | 96.8 | Very high | 97.2 | Very high | 21 Ų | 21 | 63.2 Ų | 63.2 | 14% | 0.142 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -135.1 | 152.7 | -179.7 | 72.9 | 0 | 0 | 0 | 0 | 110.3 | N119 S148 Y151 V155 | N119-C153 WeakPolarHBondContact O-CB 3.42Å; N119-C153 WeakPolarHBondContact OD1-CB 3.22Å; S148-C153 WeakPolarHBondContact CA-O 3.24Å; S148-C153 WeakPolarHBondContact CB-O 3.46Å; S148-C153 PolarHBondContact O-N 3.41Å; S148-C153 PolarHBondContact OG-O 3.1Å; Y151-C153 PolarHBondContact O-N 3.01Å; C153-V155 PolarHBondContact O-N 2.64Å |
| 154 | P | 98 | Very high | 97 | Very high | 63 Ų | 63 | 69.6 Ų | 69.6 | 41% | 0.409 | 36% | 0.362 | S | S | . | . | trans | -68.8 | 119.6 | 176.6 | 25.9 | -31.6 | 0 | 0 | 0 | 110.5 | N119 M120 L121 | N119-P154 WeakPolarHBondContact O-CD 3.37Å; M120-P154 WeakPolarHBondContact CA-O 3.37Å; M120-P154 HydrophobicContact CB-CG 4.37Å; L121-P154 PolarHBondContact N-O 3.33Å | ||
| 155 | V | 98.3 | Very high | 96.8 | Very high | 12 Ų | 12 | 71.4 Ų | 71.4 | 7% | 0.073 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 130.8 | 176.7 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | L121 V123 L147 S148 C153 | L121-V155 HydrophobicContact CB-CG1 4.46Å; L121-V155 HydrophobicContact CB-CG2 4.13Å; L121-V155 HydrophobicContact CD2-CG1 3.97Å; L121-V155 HydrophobicContact CD2-CG2 3.95Å; L121-V155 HydrophobicContact CG-CG1 4.45Å; L121-V155 CarbonylContact O-C 3.59Å; L121-V155 WeakPolarHBondContact O-CA 3.28Å; V123-V155 HydrophobicContact CG2-CG1 4.46Å; L147-V155 HydrophobicContact CB-CB 4.19Å; L147-V155 HydrophobicContact CB-CG1 4.11Å; L147-V155 HydrophobicContact CB-CG2 3.8Å; L147-V155 HydrophobicContact CD1-CG1 4.2Å; S148-V155 PolarHBondContact OG-N 3.33Å; S148-V155 VanDerWaalsContact OG-N 3.1Å; C153-V155 PolarHBondContact O-N 2.64Å |
| 156 | K | 97.9 | Very high | 96.6 | Very high | 97 Ų | 97 | 70.1 Ų | 70.1 | 42% | 0.422 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.7 | 176.1 | -173.5 | -175.4 | 178.7 | -154.1 | 0 | 110.3 | L121 V122 V123 E158 | L121-K156 PolarHBondContact O-N 2.98Å; V122-K156 WeakPolarHBondContact CA-O 3.48Å; V123-K156 PolarHBondContact N-O 2.78Å; K156-E158 HydrophobicContact CD-CG 4.45Å; K156-E158 IonicContact NZ-OE1 3.88Å; K156-E158 PolarHBondContact NZ-OE1 2.99Å |
| 157 | M | 97.3 | Very high | 96.5 | Very high | 13 Ų | 13 | 70.8 Ų | 70.8 | 6% | 0.064 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 122.1 | 175.6 | -73.2 | -74.7 | -63.1 | 0 | 0 | 110 | F104 V123 I140 T143 E144 | F104-M157 HydrophobicContact CE2-CE 3.94Å; F104-M157 HydrophobicContact CZ-CE 4.39Å; V123-M157 HydrophobicContact CB-SD 3.47Å; V123-M157 WeakPolarHBondContact CB-SD 3.33Å; V123-M157 HydrophobicContact CG1-CE 4.15Å; V123-M157 HydrophobicContact CG1-SD 3.44Å; V123-M157 WeakPolarHBondContact CG1-SD 3.49Å; V123-M157 HydrophobicContact CG2-SD 4.19Å; V123-M157 WeakPolarHBondContact O-CA 3.49Å; I140-M157 HydrophobicContact CG2-CB 4.07Å; T143-M157 WeakPolarHBondContact OG1-CG 3.18Å; E144-M157 HydrophobicContact CG-CB 3.92Å; E144-M157 HydrophobicContact CG-CG 3.7Å; E144-M157 PolarHBondContact OE1-N 3Å |
| 158 | E | 97.1 | Very high | 96.4 | Very high | 75 Ų | 75 | 77 Ų | 77 | 35% | 0.35 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 109.5 | 174.8 | -66.6 | -174.3 | 165.9 | 0 | 0 | 109.3 | V122 V123 C124 A125 K156 | V122-E158 HydrophobicContact CG1-CG 3.93Å; V123-E158 PolarHBondContact O-N 3.48Å; C124-E158 CarbonylContact C-O 3.44Å; C124-E158 VanDerWaalsContact CA-O 3.28Å; C124-E158 WeakPolarHBondContact CA-O 3.17Å; A125-E158 PolarHBondContact N-O 2.65Å; K156-E158 HydrophobicContact CD-CG 4.45Å; K156-E158 IonicContact NZ-OE1 3.88Å; K156-E158 PolarHBondContact NZ-OE1 2.99Å |
| 159 | V | 96.2 | Very high | 96.3 | Very high | 48 Ų | 48 | 78.9 Ų | 78.9 | 29% | 0.291 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129.4 | -176.2 | 173.1 | 0 | 0 | 0 | 0 | 110.1 | A125 M127 I140 T161 | A125-V159 WeakPolarHBondContact O-CA 3.26Å; M127-V159 HydrophobicContact CB-CG1 4.19Å; M127-V159 HydrophobicContact CG-CG1 3.78Å; M127-V159 HydrophobicContact SD-CB 4.2Å; M127-V159 HydrophobicContact SD-CG1 3.33Å; M127-V159 WeakPolarHBondContact SD-CG1 3.36Å; M127-V159 HydrophobicContact SD-CG2 3.78Å; I140-V159 HydrophobicContact CD1-CB 4.29Å; I140-V159 HydrophobicContact CD1-CG2 3.84Å; I140-V159 HydrophobicContact CG1-CG2 4.03Å; V159-T161 HydrophobicContact CG1-CG2 4.23Å |
| 160 | Q | 96.4 | Very high | 96.1 | Very high | 119 Ų | 119 | 79.1 Ų | 79.1 | 56% | 0.556 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 126.7 | 167.4 | 174.2 | -178.7 | 11.7 | 0 | 0 | 108.8 | A125 L126 M127 | A125-Q160 PolarHBondContact O-N 3.12Å; L126-Q160 WeakPolarHBondContact CA-O 3.33Å; L126-Q160 HydrophobicContact CD2-CB 3.8Å; L126-Q160 HydrophobicContact CD2-CG 4Å; L126-Q160 VanDerWaalsContact CD2-OE1 3.31Å; M127-Q160 PolarHBondContact N-O 2.87Å |
| 161 | T | 95.5 | Very high | 95.8 | Very high | 65 Ų | 65 | 74.9 Ų | 74.9 | 40% | 0.399 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 146.1 | -179.4 | 65.3 | 0 | 0 | 0 | 0 | 111.9 | M127 Q129 V159 | M127-T161 CarbonylContact O-C 3.55Å; M127-T161 VanDerWaalsContact O-CA 3.26Å; M127-T161 WeakPolarHBondContact O-CA 3.37Å; Q129-T161 HydrophobicContact CG-CG2 4.47Å; Q129-T161 PolarHBondContact NE2-OG1 2.86Å; Q129-T161 VanDerWaalsContact NE2-OG1 3.16Å; V159-T161 HydrophobicContact CG1-CG2 4.23Å |
| 162 | L | 95.4 | Very high | 95.7 | Very high | 45 Ų | 45 | 76.2 Ų | 76.2 | 24% | 0.236 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 145.1 | 177.2 | -63 | 172.1 | 0 | 0 | 0 | 108.2 | A109 L126 M127 L128 Q129 | A109-L162 HydrophobicContact CB-CD1 4.07Å; L126-L162 HydrophobicContact CB-CD1 4.34Å; M127-L162 PolarHBondContact O-N 3.34Å; L128-L162 WeakPolarHBondContact CA-O 3.25Å; Q129-L162 PolarHBondContact N-O 2.95Å; Q129-L162 VanDerWaalsContact N-O 3.16Å |
| 163 | A | 94 | Very high | 95.6 | Very high | 72 Ų | 72 | 71.5 Ų | 71.5 | 60% | 0.595 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -65.8 | -53.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 164 | D | 93.4 | Very high | 95.6 | Very high | 135 Ų | 135 | 74.3 Ų | 74.3 | 72% | 0.722 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -127.5 | 166.8 | -178.5 | -71.6 | -47 | 0 | 0 | 0 | 112.6 | A166 | D164-A166 PolarHBondContact O-N 3.25Š|
| 165 | K | 93.7 | Very high | 95.4 | Very high | 92 Ų | 92 | 74.9 Ų | 74.9 | 40% | 0.4 | 38% | 0.384 | S | S | . | . | trans | -70 | 124.5 | 178.2 | -161 | -176.1 | -165.4 | -165.4 | 0 | 110 | T56 A109 V167 | T56-K165 HydrophobicContact CG2-CD 4.05Å; T56-K165 VanDerWaalsContact CG2-CE 3.43Å; T56-K165 HydrophobicContact CG2-CG 4.1Å; A109-K165 WeakPolarHBondContact O-CE 3.34Å; K165-V167 WeakPolarHBondContact O-CG2 3.22Å; K165-V167 PolarHBondContact O-N 2.88Å; K165-V167 VanDerWaalsContact O-N 3.12Å | ||
| 166 | A | 93.7 | Very high | 95.3 | Very high | 53 Ų | 53 | 78.9 Ų | 78.9 | 44% | 0.438 | 40% | 0.403 | S | S | . | . | trans | -64.5 | 112.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D164 | D164-A166 PolarHBondContact O-N 3.25Š| ||
| 167 | V | 96.4 | Very high | 95.1 | Very high | 68 Ų | 68 | 77.7 Ų | 77.7 | 41% | 0.412 | 40% | 0.402 | S | S | . | . | trans | -92.1 | 129.2 | 178.3 | -173.4 | 0 | 0 | 0 | 0 | 109.7 | P54 K165 Y170 | P54-V167 HydrophobicContact CB-CG1 3.85Å; P54-V167 HydrophobicContact CB-CG2 3.87Å; K165-V167 WeakPolarHBondContact O-CG2 3.22Å; K165-V167 PolarHBondContact O-N 2.88Å; K165-V167 VanDerWaalsContact O-N 3.12Å; V167-Y170 HydrophobicContact CG1-CD2 4.17Å; V167-Y170 HydrophobicContact CG1-CE1 4.4Å; V167-Y170 HydrophobicContact CG1-CE2 3.65Å | ||
| 168 | Y | 96.3 | Very high | 94.9 | Very high | 130 Ų | 130 | 82.3 Ų | 82.3 | 51% | 0.51 | 43% | 0.426 | S | S | . | . | trans | -99.6 | -44.5 | 176.3 | 174.6 | -110.9 | 0 | 0 | 0 | 112.2 | L55 Y57 A60 | L55-Y168 PolarHBondContact O-N 2.78Å; Y57-Y168 HydrophobicContact CD2-CD1 4.28Å; Y57-Y168 AromaticContact CD2-CD2 3.81Å; Y57-Y168 HydrophobicContact CD2-CD2 3.81Å; Y57-Y168 HydrophobicContact CD2-CE1 4.29Å; Y57-Y168 AromaticContact CD2-CE2 3.83Å; Y57-Y168 HydrophobicContact CD2-CE2 3.83Å; Y57-Y168 HydrophobicContact CD2-CG 4.03Å; Y57-Y168 HydrophobicContact CE2-CE2 4.2Å; A60-Y168 HydrophobicContact CB-CD1 3.61Å; A60-Y168 HydrophobicContact CB-CE1 4.13Å | ||
| 169 | K | 95.1 | Very high | 94.8 | Very high | 72 Ų | 72 | 82.8 Ų | 82.8 | 31% | 0.313 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 160.5 | 177.6 | 74.2 | -176.8 | -170.8 | -168.4 | 0 | 111.2 | L55 A60 | L55-K169 HydrophobicContact CB-CG 4.39Å; L55-K169 PolarHBondContact N-O 3.41Å; L55-K169 PolarHBondContact O-N 3.26Å; A60-K169 HydrophobicContact CB-CD 3.85Å; A60-K169 VanDerWaalsContact CB-CE 3.42Å; A60-K169 HydrophobicContact CB-CG 4.03Å; A60-K169 PolarHBondContact O-NZ 3.01Å |
| 170 | Y | 95.6 | Very high | 94.6 | Very high | 142 Ų | 142 | 85.8 Ų | 85.8 | 56% | 0.557 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 141.1 | 170.5 | -66.9 | -96.2 | 0 | 0 | 0 | 110.5 | G51 R53 P54 V167 | G51-Y170 VanDerWaalsContact O-CB 3.28Å; G51-Y170 WeakPolarHBondContact O-CB 3.33Å; R53-Y170 WeakPolarHBondContact O-CA 3.34Å; P54-Y170 HydrophobicContact CB-CD1 4.14Å; P54-Y170 HydrophobicContact CB-CE1 3.72Å; P54-Y170 HydrophobicContact CG-CE1 4.47Å; V167-Y170 HydrophobicContact CG1-CD2 4.17Å; V167-Y170 HydrophobicContact CG1-CE1 4.4Å; V167-Y170 HydrophobicContact CG1-CE2 3.65Å |
| 171 | L | 90.4 | Very high | 94.5 | Very high | 36 Ų | 36 | 82.7 Ų | 82.7 | 19% | 0.188 | 43% | 0.434 | C | S | . | . | trans | -128.4 | 0 | 177.7 | -78.6 | -168.5 | 0 | 0 | 0 | 112.5 | V48 G49 G51 D52 R53 L55 | V48-L171 HydrophobicContact CG2-CD1 4.48Å; V48-L171 HydrophobicContact CG2-CD2 4.2Å; G49-L171 WeakPolarHBondContact CA-OXT 3.41Å; G49-L171 PolarHBondContact N-OXT 2.73Å; G51-L171 CarbonylContact C-O 3.3Å; G51-L171 VanDerWaalsContact C-O 3.3Å; G51-L171 VanDerWaalsContact CA-O 3.23Å; G51-L171 WeakPolarHBondContact CA-O 3.19Å; G51-L171 VanDerWaalsContact N-C 3.27Å; G51-L171 PolarHBondContact N-O 3.11Å; G51-L171 PolarHBondContact N-OXT 3.06Å; G51-L171 VanDerWaalsContact N-OXT 3.07Å; D52-L171 PolarHBondContact N-O 2.99Å; R53-L171 WeakPolarHBondContact CB-O 3.25Å; R53-L171 PolarHBondContact N-O 3.1Å; R53-L171 PolarHBondContact O-N 3.46Å; L55-L171 HydrophobicContact CD1-CB 4.14Å; L55-L171 HydrophobicContact CD1-CD1 3.41Å; L55-L171 VanDerWaalsContact CD1-CD1 3.41Å; L55-L171 HydrophobicContact CD1-CG 3.76Å |
Retrieved 171 of 171 residues in 26.4 ms
(Link to these results)