| 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 | 46.8 | Very low | 35.5 | Very low | 235 Ų | 235 | 158.5 Ų | 158.5 | 100% | 1.158 | 87% | 0.868 | S | S | * | * | 0 | 97 | 0 | -69.9 | -62.6 | -175.3 | 0 | 0 | 108.4 | |||||
| 2 | P | 36.1 | Very low | 35.2 | Very low | 125 Ų | 125 | 165.4 Ų | 165.4 | 81% | 0.812 | 87% | 0.872 | S | S | * | * | trans | -142.2 | 134.1 | 142 | 28.8 | -9.7 | 0 | 0 | 0 | 113.7 | ||||
| 3 | N | 34.8 | Very low | 34.8 | Very low | 170 Ų | 170 | 171.5 Ų | 171.5 | 91% | 0.909 | 88% | 0.876 | S | S | * | * | trans | 22.4 | 100.3 | 138.4 | -109.8 | 6.9 | 0 | 0 | 0 | 118 | ||||
| 4 | S | 40.4 | Very low | 34.7 | Very low | 109 Ų | 109 | 176.3 Ų | 176.3 | 76% | 0.762 | 88% | 0.878 | S | S | * | * | trans | -99.2 | 102.1 | 152.5 | 54.7 | 0 | 0 | 0 | 0 | 108.4 | E6 | S4-E6 PolarHBondContact O-N 2.82Š| ||
| 5 | G | 35.8 | Very low | 34.6 | Very low | 76 Ų | 76 | 178.5 Ų | 178.5 | 78% | 0.784 | 88% | 0.88 | S | S | * | * | trans | -70.3 | 118.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | E7 | G5-E7 PolarHBondContact O-N 2.8Š| ||
| 6 | E | 36 | Very low | 34.4 | Very low | 177 Ų | 177 | 171.9 Ų | 171.9 | 83% | 0.827 | 87% | 0.871 | S | S | * | * | trans | -82.2 | 110.8 | 171.4 | -73 | -178.4 | 141.7 | 0 | 0 | 109.2 | S4 | S4-E6 PolarHBondContact O-N 2.82Š| ||
| 7 | E | 34.3 | Very low | 34.4 | Very low | 181 Ų | 181 | 167.5 Ų | 167.5 | 85% | 0.846 | 87% | 0.868 | S | S | * | * | trans | -63.6 | 122.6 | 164.8 | -96.3 | 177.9 | 153.4 | 0 | 0 | 110 | G5 Q9 | G5-E7 PolarHBondContact O-N 2.8Å; E7-Q9 PolarHBondContact O-N 2.99Å | ||
| 8 | W | 31 | Very low | 34.3 | Very low | 251 Ų | 251 | 162.2 Ų | 162.2 | 95% | 0.951 | 86% | 0.861 | S | S | * | * | trans | -69.3 | 111.2 | 171 | -72.3 | 91.6 | 0 | 0 | 0 | 110.6 | ||||
| 9 | Q | 33 | Very low | 34.3 | Very low | 183 Ų | 183 | 166.9 Ų | 166.9 | 86% | 0.855 | 87% | 0.865 | S | S | * | * | trans | -86.7 | 125 | 166.5 | -74.3 | -153.3 | -26 | 0 | 0 | 111.5 | E7 A11 | E7-Q9 PolarHBondContact O-N 2.99Å; Q9-A11 PolarHBondContact O-N 2.87Å | ||
| 10 | V | 32.2 | Very low | 34.4 | Very low | 138 Ų | 138 | 170.8 Ų | 170.8 | 84% | 0.836 | 87% | 0.868 | S | S | * | * | trans | -71 | 111.4 | 176.2 | 178.4 | 0 | 0 | 0 | 0 | 110.1 | R12 | V10-R12 PolarHBondContact O-N 2.8Š| ||
| 11 | A | 29.9 | Very low | 34.2 | Very low | 98 Ų | 98 | 165.7 Ų | 165.7 | 81% | 0.81 | 86% | 0.859 | S | S | * | * | trans | -70 | 109.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q9 R13 | Q9-A11 PolarHBondContact O-N 2.87Å; A11-R13 PolarHBondContact O-N 2.87Å | ||
| 12 | R | 31.7 | Very low | 33.5 | Very low | 242 Ų | 242 | 164.4 Ų | 164.4 | 91% | 0.913 | 85% | 0.847 | S | S | * | * | trans | -65.4 | 118.3 | 170.8 | -83.1 | -179.6 | 167.3 | -179 | -3.1 | 110.4 | V10 R14 | V10-R12 PolarHBondContact O-N 2.8Å; R12-R14 PolarHBondContact O-N 3.03Å; R12-R14 VanDerWaalsContact O-N 3.17Å | ||
| 13 | R | 30.5 | Very low | 33.6 | Very low | 245 Ų | 245 | 165 Ų | 165 | 93% | 0.925 | 84% | 0.841 | S | S | * | * | trans | -64.2 | 107.8 | 176.1 | -157 | 177.1 | -174.3 | -174.4 | 1.8 | 110.2 | A11 K15 | A11-R13 PolarHBondContact O-N 2.87Å; R13-K15 PolarHBondContact O-N 3.2Å | ||
| 14 | R | 33.2 | Very low | 33.6 | Very low | 238 Ų | 238 | 162.4 Ų | 162.4 | 90% | 0.898 | 83% | 0.834 | S | S | * | * | trans | -64.5 | 125.7 | 167.3 | -84.3 | -179.8 | 169.7 | 179 | -2.9 | 108.7 | R12 G16 | R12-R14 PolarHBondContact O-N 3.03Å; R12-R14 VanDerWaalsContact O-N 3.17Å; R14-G16 PolarHBondContact O-N 2.64Å | ||
| 15 | K | 33.7 | Very low | 33.2 | Very low | 210 Ų | 210 | 166 Ų | 166 | 91% | 0.913 | 84% | 0.838 | S | S | * | * | trans | -55.8 | 106.3 | 169.4 | -91.8 | 178.4 | 170.7 | 178.4 | 0 | 108.7 | R13 | R13-K15 PolarHBondContact O-N 3.2Š| ||
| 16 | G | 31.8 | Very low | 33.3 | Very low | 72 Ų | 72 | 168.3 Ų | 168.3 | 74% | 0.742 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 128.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | R14 G18 | R14-G16 PolarHBondContact O-N 2.64Å; G16-G18 PolarHBondContact O-N 3.19Å |
| 17 | A | 34.4 | Very low | 33.1 | Very low | 98 Ų | 98 | 163.7 Ų | 163.7 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 128.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | R19 | A17-R19 PolarHBondContact O-N 2.89Š|
| 18 | G | 32.4 | Very low | 33.1 | Very low | 72 Ų | 72 | 161 Ų | 161 | 74% | 0.742 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 127.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | G16 R20 | G16-G18 PolarHBondContact O-N 3.19Å; G18-R20 PolarHBondContact O-N 2.85Å; G18-R20 VanDerWaalsContact O-N 3.07Å |
| 19 | R | 33.9 | Very low | 33.4 | Very low | 251 Ų | 251 | 157.1 Ų | 157.1 | 95% | 0.947 | 82% | 0.821 | S | S | * | * | trans | -60.7 | 109.2 | 163.5 | -82.3 | 177.6 | 166.9 | 179.3 | -4.3 | 107.1 | A17 G21 | A17-R19 PolarHBondContact O-N 2.89Å; R19-G21 PolarHBondContact O-N 3.28Å; R19-G21 VanDerWaalsContact O-N 3.13Å | ||
| 20 | R | 35.4 | Very low | 33.2 | Very low | 244 Ų | 244 | 156.5 Ų | 156.5 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -53.5 | 116 | 164.6 | -90.3 | 177.6 | 167.3 | 177.1 | -5.6 | 107.7 | G18 K22 | G18-R20 PolarHBondContact O-N 2.85Å; G18-R20 VanDerWaalsContact O-N 3.07Å; R20-K22 PolarHBondContact O-N 3.39Å | ||
| 21 | G | 31.8 | Very low | 33.6 | Very low | 65 Ų | 65 | 156.7 Ų | 156.7 | 67% | 0.67 | 82% | 0.822 | S | S | * | * | trans | -56.5 | 133.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | R19 I23 | R19-G21 PolarHBondContact O-N 3.28Å; R19-G21 VanDerWaalsContact O-N 3.13Å; G21-I23 PolarHBondContact O-N 3.21Å; G21-I23 VanDerWaalsContact O-N 3.14Å | ||
| 22 | K | 30.4 | Very low | 33.8 | Very low | 208 Ų | 208 | 154.9 Ų | 154.9 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | trans | -67.5 | 109.5 | 171.2 | -78.8 | 176.5 | 173.1 | -179.5 | 0 | 107.4 | R20 | R20-K22 PolarHBondContact O-N 3.39Š| ||
| 23 | I | 39.1 | Very low | 34.2 | Very low | 136 Ų | 136 | 152 Ų | 152 | 70% | 0.697 | 81% | 0.81 | S | S | * | * | trans | -63.7 | 133.1 | 165.2 | -54.8 | 171.9 | 0 | 0 | 0 | 106.5 | G21 H25 | G21-I23 PolarHBondContact O-N 3.21Å; G21-I23 VanDerWaalsContact O-N 3.14Å; I23-H25 PolarHBondContact O-N 2.99Å | ||
| 24 | P | 34.3 | Very low | 35.1 | Very low | 116 Ų | 116 | 145.2 Ų | 145.2 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -62 | 119.3 | 164.5 | -10.6 | 25 | 0 | 0 | 0 | 107 | T26 | P24-T26 PolarHBondContact O-N 3.11Š| ||
| 25 | H | 32 | Very low | 36.2 | Very low | 186 Ų | 186 | 141 Ų | 141 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -53.6 | 104.2 | 177.3 | -87.1 | -86.9 | 0 | 0 | 0 | 110.3 | I23 A27 | I23-H25 PolarHBondContact O-N 2.99Å; H25-A27 PolarHBondContact O-N 3.28Å; H25-A27 VanDerWaalsContact O-N 3.13Å | ||
| 26 | T | 38.9 | Very low | 38.4 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -66.2 | 100.3 | 151.6 | 21.1 | 0 | 0 | 0 | 0 | 106.3 | P24 C28 | P24-T26 PolarHBondContact O-N 3.11Å; T26-C28 PolarHBondContact O-N 3.44Å | ||
| 27 | A | 31.8 | Very low | 40.9 | Very low | 80 Ų | 80 | 133.9 Ų | 133.9 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | trans | -67 | 104.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | H25 H29 | H25-A27 PolarHBondContact O-N 3.28Å; H25-A27 VanDerWaalsContact O-N 3.13Å; A27-H29 PolarHBondContact O-N 3.03Å | ||
| 28 | C | 33.3 | Very low | 43.7 | Very low | 124 Ų | 124 | 133.3 Ų | 133.3 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | trans | -60.6 | 103.9 | 162.3 | -61.6 | 0 | 0 | 0 | 0 | 107.4 | T26 E30 | T26-C28 PolarHBondContact O-N 3.44Å; C28-E30 PolarHBondContact O-N 3.49Å | ||
| 29 | H | 37.3 | Very low | 46.7 | Very low | 171 Ų | 171 | 131.6 Ų | 131.6 | 79% | 0.792 | 73% | 0.729 | S | S | * | * | trans | -75.6 | 116.6 | 166.6 | -103.5 | -83.3 | 0 | 0 | 0 | 108.1 | A27 | A27-H29 PolarHBondContact O-N 3.03Š| ||
| 30 | E | 29.1 | Very low | 49.6 | Very low | 170 Ų | 170 | 124.7 Ų | 124.7 | 79% | 0.794 | 71% | 0.711 | S | S | * | * | trans | -64.6 | 142.5 | 160.9 | -69.7 | -151.2 | 153.1 | 0 | 0 | 109.6 | C28 G32 | C28-E30 PolarHBondContact O-N 3.49Å; E30-G32 VanDerWaalsContact C-N 3.28Å; E30-G32 PolarHBondContact O-N 3.41Å | ||
| 31 | P | 39.8 | Very low | 52.5 | Low | 141 Ų | 141 | 120.4 Ų | 120.4 | 92% | 0.916 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -78.1 | 80.6 | 178.3 | 31.7 | -31.9 | 0 | 0 | 0 | 109.6 | ||
| 32 | G | 35.8 | Very low | 55.6 | Low | 61 Ų | 61 | 117.7 Ų | 117.7 | 63% | 0.629 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -162.9 | 104.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | E30 | E30-G32 VanDerWaalsContact C-N 3.28Å; E30-G32 PolarHBondContact O-N 3.41Å |
| 33 | H | 39.1 | Very low | 58.8 | Low | 182 Ų | 182 | 110.2 Ų | 110.2 | 84% | 0.843 | 63% | 0.633 | S | S | * | * | trans | 71.7 | 80.2 | -170.4 | -84.8 | -1.9 | 0 | 0 | 0 | 115.4 | D35 | H33-D35 PolarHBondContact O-N 3.34Å; H33-D35 VanDerWaalsContact O-N 3.15Å | ||
| 34 | A | 50.3 | Low | 61.6 | Low | 101 Ų | 101 | 109 Ų | 109 | 84% | 0.835 | 62% | 0.624 | S | S | * | * | trans | -66.4 | 104.6 | 152 | 0 | 0 | 0 | 0 | 0 | 107.7 | A36 | A34-A36 PolarHBondContact O-N 3.09Å; A34-A36 VanDerWaalsContact O-N 3.11Å | ||
| 35 | D | 56.4 | Low | 64.6 | Low | 150 Ų | 150 | 107 Ų | 107 | 80% | 0.802 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -52 | 119.2 | 159.1 | -91.4 | -26 | 0 | 0 | 0 | 106.7 | H33 V37 | H33-D35 PolarHBondContact O-N 3.34Å; H33-D35 VanDerWaalsContact O-N 3.15Å; D35-V37 PolarHBondContact O-N 3.23Å |
| 36 | A | 79.3 | Confident | 67.8 | Low | 97 Ų | 97 | 98.2 Ų | 98.2 | 80% | 0.802 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 118.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | A34 D38 | A34-A36 PolarHBondContact O-N 3.09Å; A34-A36 VanDerWaalsContact O-N 3.11Å; A36-D38 PolarHBondContact O-N 3.18Å; A36-D38 VanDerWaalsContact O-N 3.09Å |
| 37 | V | 84.7 | Confident | 70.6 | Confident | 36 Ų | 36 | 96.6 Ų | 96.6 | 22% | 0.218 | 55% | 0.551 | C | S | . | * | P | Polyproline II helix | trans | -58.7 | 119 | 177.8 | 175.9 | 0 | 0 | 0 | 0 | 108 | D35 T39 | D35-V37 PolarHBondContact O-N 3.23Å; V37-T39 PolarHBondContact O-N 3.44Å |
| 38 | D | 93.2 | Very high | 73.8 | Confident | 85 Ų | 85 | 97.7 Ų | 97.7 | 46% | 0.455 | 54% | 0.543 | S | S | . | . | trans | -69.1 | 97.2 | 170.3 | -177.1 | -20.2 | 0 | 0 | 0 | 108.3 | A36 D40 R41 T42 | A36-D38 PolarHBondContact O-N 3.18Å; A36-D38 VanDerWaalsContact O-N 3.09Å; D38-D40 PolarHBondContact OD1-N 3.11Å; D38-R41 HydrophobicContact CB-CB 3.98Å; D38-R41 WeakPolarHBondContact OD1-CB 3.43Å; D38-R41 PolarHBondContact OD1-N 3.3Å; D38-R41 VanDerWaalsContact OD2-CB 3.3Å; D38-R41 WeakPolarHBondContact OD2-CB 3.28Å; D38-T42 VanDerWaalsContact O-CB 3.29Å; D38-T42 WeakPolarHBondContact O-CB 3.3Å; D38-T42 PolarHBondContact O-N 2.93Å; D38-T42 PolarHBondContact O-OG1 3.11Å | ||
| 39 | T | 94.2 | Very high | 76.9 | Confident | 36 Ų | 36 | 92.3 Ų | 92.3 | 22% | 0.221 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -65.4 | -39.6 | -173.3 | 56.1 | 0 | 0 | 0 | 0 | 111.3 | V37 T42 K43 V154 | V37-T39 PolarHBondContact O-N 3.44Å; T39-T42 PolarHBondContact O-N 3.13Å; T39-K43 VanDerWaalsContact O-CE 3.32Å; T39-K43 WeakPolarHBondContact O-CE 3.35Å; T39-K43 WeakPolarHBondContact O-CG 3.47Å; T39-K43 PolarHBondContact O-N 3.29Å; T39-V154 HydrophobicContact CG2-CG2 3.84Å |
| 40 | D | 94.9 | Very high | 79.8 | Confident | 106 Ų | 106 | 85.4 Ų | 85.4 | 57% | 0.567 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.1 | -47.3 | 179.7 | -72.3 | -25.8 | 0 | 0 | 0 | 111.5 | D38 T42 K43 Q44 | D38-D40 PolarHBondContact OD1-N 3.11Å; D40-T42 VanDerWaalsContact C-N 3.27Å; D40-T42 PolarHBondContact O-N 3.38Å; D40-K43 PolarHBondContact O-N 2.68Å; D40-K43 WeakPolarHBondContact OD1-CE 2.91Å; D40-K43 IonicContact OD1-NZ 2.86Å; D40-K43 PolarHBondContact OD1-NZ 3.42Å; D40-Q44 PolarHBondContact O-N 2.78Å |
| 41 | R | 96.3 | Very high | 83.1 | Confident | 155 Ų | 155 | 79.6 Ų | 79.6 | 59% | 0.585 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.8 | -36 | 174.7 | -173.5 | 177.8 | -178.7 | -168.5 | 0.4 | 112.1 | D38 Q44 R45 | D38-R41 HydrophobicContact CB-CB 3.98Å; D38-R41 WeakPolarHBondContact OD1-CB 3.43Å; D38-R41 PolarHBondContact OD1-N 3.3Å; D38-R41 VanDerWaalsContact OD2-CB 3.3Å; D38-R41 WeakPolarHBondContact OD2-CB 3.28Å; R41-Q44 PolarHBondContact O-N 3.14Å; R41-R45 VanDerWaalsContact O-CG 3.29Å; R41-R45 WeakPolarHBondContact O-CG 3.33Å; R41-R45 PolarHBondContact O-N 3.18Å |
| 42 | T | 97.1 | Very high | 85.8 | Confident | 8 Ų | 8 | 76.1 Ų | 76.1 | 5% | 0.049 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -66 | -46.9 | 177.4 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | D38 T39 D40 Q44 R45 I46 F113 V154 | D38-T42 VanDerWaalsContact O-CB 3.29Å; D38-T42 WeakPolarHBondContact O-CB 3.3Å; D38-T42 PolarHBondContact O-N 2.93Å; D38-T42 PolarHBondContact O-OG1 3.11Å; T39-T42 PolarHBondContact O-N 3.13Å; D40-T42 VanDerWaalsContact C-N 3.27Å; D40-T42 PolarHBondContact O-N 3.38Å; T42-Q44 VanDerWaalsContact C-N 3.33Å; T42-Q44 PolarHBondContact O-N 2.95Å; T42-R45 PolarHBondContact O-N 2.68Å; T42-I46 HydrophobicContact CG2-CD1 4.06Å; T42-I46 WeakPolarHBondContact O-CG1 3.27Å; T42-I46 PolarHBondContact O-N 3.06Å; T42-F113 HydrophobicContact CG2-CD2 3.83Å; T42-F113 HydrophobicContact CG2-CE2 3.73Å; T42-V154 HydrophobicContact CG2-CG1 4.34Å; T42-V154 HydrophobicContact CG2-CG2 4.34Å |
| 43 | K | 97.4 | Very high | 88.7 | Confident | 50 Ų | 50 | 73.2 Ų | 73.2 | 22% | 0.217 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.1 | -41.8 | 173.9 | -73.5 | 176.5 | -60.4 | -173.6 | 0 | 112.2 | T39 D40 I46 T47 V154 | T39-K43 VanDerWaalsContact O-CE 3.32Å; T39-K43 WeakPolarHBondContact O-CE 3.35Å; T39-K43 WeakPolarHBondContact O-CG 3.47Å; T39-K43 PolarHBondContact O-N 3.29Å; D40-K43 PolarHBondContact O-N 2.68Å; D40-K43 WeakPolarHBondContact OD1-CE 2.91Å; D40-K43 IonicContact OD1-NZ 2.86Å; D40-K43 PolarHBondContact OD1-NZ 3.42Å; K43-I46 PolarHBondContact O-N 3.04Å; K43-T47 PolarHBondContact O-N 3.41Å; K43-T47 PolarHBondContact O-OG1 3.15Å; K43-V154 HydrophobicContact CG-CG1 3.87Å |
| 44 | Q | 97.9 | Very high | 91.5 | Very high | 110 Ų | 110 | 69.2 Ų | 69.2 | 51% | 0.514 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.8 | -50.2 | 176 | -177.3 | -176.1 | -9.6 | 0 | 0 | 111 | D40 R41 T42 I46 T47 E48 | D40-Q44 PolarHBondContact O-N 2.78Å; R41-Q44 PolarHBondContact O-N 3.14Å; T42-Q44 VanDerWaalsContact C-N 3.33Å; T42-Q44 PolarHBondContact O-N 2.95Å; Q44-I46 VanDerWaalsContact C-N 3.31Å; Q44-I46 PolarHBondContact O-N 2.98Å; Q44-T47 WeakPolarHBondContact O-CB 3.23Å; Q44-T47 PolarHBondContact O-N 2.78Å; Q44-T47 VanDerWaalsContact O-N 3.12Å; Q44-E48 WeakPolarHBondContact CG-OE1 3.47Å; Q44-E48 PolarHBondContact NE2-OE1 2.99Å; Q44-E48 WeakPolarHBondContact O-CG 3.31Å; Q44-E48 PolarHBondContact O-N 3.27Å |
| 45 | R | 98.3 | Very high | 93.6 | Very high | 76 Ų | 76 | 69.3 Ų | 69.3 | 29% | 0.287 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.6 | -38.5 | 179.2 | -68.4 | 168.1 | 80 | -167.8 | 10 | 112.1 | R41 T42 T47 E48 T49 S114 R120 | R41-R45 VanDerWaalsContact O-CG 3.29Å; R41-R45 WeakPolarHBondContact O-CG 3.33Å; R41-R45 PolarHBondContact O-N 3.18Å; T42-R45 PolarHBondContact O-N 2.68Å; R45-T47 VanDerWaalsContact C-N 3.35Å; R45-E48 PolarHBondContact O-N 2.93Å; R45-T49 WeakPolarHBondContact O-CB 3.07Å; R45-T49 PolarHBondContact O-N 3.47Å; R45-T49 PolarHBondContact O-OG1 2.96Å; R45-S114 PolarHBondContact NH1-O 2.9Å; R45-R120 VanDerWaalsContact CZ-NH1 3.31Å; R45-R120 VanDerWaalsContact NH2-CZ 3.3Å |
| 46 | I | 98.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 174.8 | -67.8 | 161.6 | 0 | 0 | 0 | 110.1 | T42 K43 Q44 E48 T49 M50 F113 R120 L123 L127 V154 L158 | T42-I46 HydrophobicContact CG2-CD1 4.06Å; T42-I46 WeakPolarHBondContact O-CG1 3.27Å; T42-I46 PolarHBondContact O-N 3.06Å; K43-I46 PolarHBondContact O-N 3.04Å; Q44-I46 VanDerWaalsContact C-N 3.31Å; Q44-I46 PolarHBondContact O-N 2.98Å; I46-E48 PolarHBondContact O-N 3.13Å; I46-T49 PolarHBondContact O-N 3.24Å; I46-M50 HydrophobicContact CG2-CG 4.46Å; I46-M50 HydrophobicContact CG2-SD 4.34Å; I46-M50 WeakPolarHBondContact O-CG 3.47Å; I46-M50 PolarHBondContact O-N 3.35Å; I46-F113 HydrophobicContact CD1-CD2 4.05Å; I46-F113 HydrophobicContact CD1-CE2 4.1Å; I46-R120 HydrophobicContact CG1-CG 3.94Å; I46-L123 HydrophobicContact CD1-CD2 3.69Å; I46-L123 HydrophobicContact CG1-CD2 4.23Å; I46-L127 HydrophobicContact CG2-CD1 3.74Å; I46-V154 HydrophobicContact CD1-CG1 3.96Å; I46-L158 HydrophobicContact CD1-CD1 4.21Å |
| 47 | T | 98.2 | Very high | 96.1 | Very high | 88 Ų | 88 | 64.6 Ų | 64.6 | 54% | 0.54 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 179.6 | -55.5 | 0 | 0 | 0 | 0 | 111.7 | K43 Q44 R45 M50 A51 | K43-T47 PolarHBondContact O-N 3.41Å; K43-T47 PolarHBondContact O-OG1 3.15Å; Q44-T47 WeakPolarHBondContact O-CB 3.23Å; Q44-T47 PolarHBondContact O-N 2.78Å; Q44-T47 VanDerWaalsContact O-N 3.12Å; R45-T47 VanDerWaalsContact C-N 3.35Å; T47-M50 PolarHBondContact O-N 3.35Å; T47-A51 PolarHBondContact O-N 3.47Å |
| 48 | E | 98.4 | Very high | 96.7 | Very high | 104 Ų | 104 | 63.6 Ų | 63.6 | 49% | 0.486 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.6 | -44.9 | 174.7 | -70.5 | 167.5 | -179.2 | 0 | 0 | 111.4 | Q44 R45 I46 A51 E52 | Q44-E48 WeakPolarHBondContact CG-OE1 3.47Å; Q44-E48 PolarHBondContact NE2-OE1 2.99Å; Q44-E48 WeakPolarHBondContact O-CG 3.31Å; Q44-E48 PolarHBondContact O-N 3.27Å; R45-E48 PolarHBondContact O-N 2.93Å; I46-E48 PolarHBondContact O-N 3.13Å; E48-A51 PolarHBondContact O-N 2.94Å; E48-E52 PolarHBondContact O-N 2.94Å |
| 49 | T | 98.4 | Very high | 96.8 | Very high | 10 Ų | 10 | 60 Ų | 60 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 176.6 | -56.7 | 0 | 0 | 0 | 0 | 112.3 | R45 I46 E52 L53 Y121 A124 | R45-T49 WeakPolarHBondContact O-CB 3.07Å; R45-T49 PolarHBondContact O-N 3.47Å; R45-T49 PolarHBondContact O-OG1 2.96Å; I46-T49 PolarHBondContact O-N 3.24Å; T49-E52 PolarHBondContact O-N 3.25Å; T49-L53 HydrophobicContact CG2-CD1 4.26Å; T49-L53 WeakPolarHBondContact O-CG 3.26Å; T49-L53 PolarHBondContact O-N 3.43Å; T49-Y121 HydrophobicContact CG2-CD1 3.47Å; T49-Y121 VanDerWaalsContact CG2-CD1 3.47Å; T49-Y121 HydrophobicContact CG2-CD2 3.8Å; T49-Y121 HydrophobicContact CG2-CE1 3.65Å; T49-Y121 HydrophobicContact CG2-CE2 3.99Å; T49-Y121 HydrophobicContact CG2-CG 3.54Å; T49-A124 HydrophobicContact CG2-CB 3.63Å |
| 50 | M | 98.3 | Very high | 96.9 | Very high | 27 Ų | 27 | 62.1 Ų | 62.1 | 13% | 0.133 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62 | -43.7 | 173.6 | -73 | -178.8 | 72.9 | 0 | 0 | 111.8 | I46 T47 E52 L53 R54 A124 L127 L128 | I46-M50 HydrophobicContact CG2-CG 4.46Å; I46-M50 HydrophobicContact CG2-SD 4.34Å; I46-M50 WeakPolarHBondContact O-CG 3.47Å; I46-M50 PolarHBondContact O-N 3.35Å; T47-M50 PolarHBondContact O-N 3.35Å; M50-E52 VanDerWaalsContact C-N 3.32Å; M50-E52 PolarHBondContact O-N 3.05Å; M50-L53 PolarHBondContact O-N 3.46Å; M50-R54 VanDerWaalsContact O-CB 3.3Å; M50-R54 WeakPolarHBondContact O-CB 3.3Å; M50-R54 PolarHBondContact O-N 2.84Å; M50-A124 HydrophobicContact CB-CB 4.43Å; M50-A124 HydrophobicContact CG-CB 3.6Å; M50-L127 HydrophobicContact CE-CB 3.55Å; M50-L127 HydrophobicContact SD-CB 3.76Å; M50-L127 HydrophobicContact SD-CD1 3.64Å; M50-L127 HydrophobicContact SD-CG 4.37Å; M50-L128 HydrophobicContact CE-CD2 3.92Å; M50-L128 HydrophobicContact CE-CG 4.1Å |
| 51 | A | 98.1 | Very high | 96.9 | Very high | 48 Ų | 48 | 61.6 Ų | 61.6 | 40% | 0.397 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T47 E48 | T47-A51 PolarHBondContact O-N 3.47Å; E48-A51 PolarHBondContact O-N 2.94Å |
| 52 | E | 97.1 | Very high | 97 | Very high | 67 Ų | 67 | 54.2 Ų | 54.2 | 31% | 0.313 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.6 | -50 | 174.5 | -170.5 | -160.9 | 141.7 | 0 | 0 | 112 | E48 T49 M50 R54 C55 Y121 R248 | E48-E52 PolarHBondContact O-N 2.94Å; T49-E52 PolarHBondContact O-N 3.25Å; M50-E52 VanDerWaalsContact C-N 3.32Å; M50-E52 PolarHBondContact O-N 3.05Å; E52-R54 PolarHBondContact O-N 2.77Å; E52-C55 PolarHBondContact O-N 3.19Å; E52-Y121 PolarHBondContact OE1-OH 3.21Å; E52-Y121 PolarHBondContact OE2-OH 2.92Å; E52-R248 IonicContact OE1-CZ 2.61Å; E52-R248 VanDerWaalsContact OE1-CZ 3.23Å; E52-R248 IonicContact OE1-NH1 2.74Å; E52-R248 PolarHBondContact OE1-NH1 2.97Å; E52-R248 IonicContact OE1-NH2 3.78Å; E52-R248 PolarHBondContact OE1-NH2 2.74Å |
| 53 | L | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.4 | -39.1 | -178.8 | -74.3 | 176.1 | 0 | 0 | 0 | 112.4 | T49 M50 C55 A56 F58 W59 Y121 A124 M125 L128 L249 F253 | T49-L53 HydrophobicContact CG2-CD1 4.26Å; T49-L53 WeakPolarHBondContact O-CG 3.26Å; T49-L53 PolarHBondContact O-N 3.43Å; M50-L53 PolarHBondContact O-N 3.46Å; L53-C55 PolarHBondContact O-N 2.82Å; L53-A56 WeakPolarHBondContact O-CB 3.39Å; L53-A56 PolarHBondContact O-N 3.24Å; L53-F58 HydrophobicContact CD2-CE1 4.17Å; L53-F58 HydrophobicContact CD2-CZ 3.74Å; L53-W59 WeakPolarHBondContact O-CB 3.32Å; L53-Y121 HydrophobicContact CD1-CD1 4.14Å; L53-Y121 HydrophobicContact CD2-CD1 3.99Å; L53-Y121 HydrophobicContact CD2-CE1 4.32Å; L53-Y121 HydrophobicContact CG-CD1 4.11Å; L53-Y121 HydrophobicContact CG-CE1 4.44Å; L53-A124 HydrophobicContact CD1-CB 3.86Å; L53-M125 HydrophobicContact CD1-CB 4.16Å; L53-M125 HydrophobicContact CD1-CE 4.23Å; L53-M125 HydrophobicContact CD2-CE 4.09Å; L53-L128 HydrophobicContact CB-CD1 3.52Å; L53-L128 HydrophobicContact CD1-CD1 4.39Å; L53-L249 HydrophobicContact CD2-CD1 4.19Å; L53-F253 HydrophobicContact CD1-CZ 4.4Å; L53-F253 HydrophobicContact CD2-CE2 4.02Å; L53-F253 HydrophobicContact CD2-CZ 4.37Å |
| 54 | R | 96.6 | Very high | 96.8 | Very high | 99 Ų | 99 | 59.9 Ų | 59.9 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.8 | -29.5 | -179.7 | -171.5 | -179.8 | -75.4 | 124.9 | -9 | 112.7 | M50 E52 L128 E131 | M50-R54 VanDerWaalsContact O-CB 3.3Å; M50-R54 WeakPolarHBondContact O-CB 3.3Å; M50-R54 PolarHBondContact O-N 2.84Å; E52-R54 PolarHBondContact O-N 2.77Å; R54-L128 HydrophobicContact CB-CD1 4.49Å; R54-L128 HydrophobicContact CB-CD2 4.14Å; R54-L128 HydrophobicContact CG-CD2 4.44Å; R54-E131 IonicContact CZ-OE2 2.99Å; R54-E131 IonicContact NE-OE2 3.7Å; R54-E131 IonicContact NH2-OE1 2.66Å; R54-E131 PolarHBondContact NH2-OE1 3.39Å; R54-E131 IonicContact NH2-OE2 2.94Å; R54-E131 PolarHBondContact NH2-OE2 2.92Å |
| 55 | C | 94.2 | Very high | 96.6 | Very high | 103 Ų | 103 | 59 Ų | 59 | 70% | 0.696 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -3.4 | 178.5 | -65.6 | 0 | 0 | 0 | 0 | 113.5 | E52 L53 | E52-C55 PolarHBondContact O-N 3.19Å; L53-C55 PolarHBondContact O-N 2.82Å |
| 56 | A | 95.2 | Very high | 96.4 | Very high | 15 Ų | 15 | 55.7 Ų | 55.7 | 12% | 0.124 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -84.4 | 135.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L53 F58 W59 | L53-A56 WeakPolarHBondContact O-CB 3.39Å; L53-A56 PolarHBondContact O-N 3.24Å; A56-F58 VanDerWaalsContact C-N 3.28Å; A56-F58 HydrophobicContact CB-CD1 3.59Å; A56-F58 HydrophobicContact CB-CE1 3.47Å; A56-F58 VanDerWaalsContact CB-CE1 3.47Å; A56-F58 PolarHBondContact O-N 3.02Å; A56-W59 VanDerWaalsContact O-CB 3.29Å; A56-W59 WeakPolarHBondContact O-CB 3.48Å; A56-W59 PolarHBondContact O-N 2.85Å |
| 57 | D | 94.4 | Very high | 96.1 | Very high | 132 Ų | 132 | 57.5 Ų | 57.5 | 71% | 0.706 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -56.5 | -41.2 | -174.4 | -63.6 | -32.9 | 0 | 0 | 0 | 113.4 | W59 F60 | D57-W59 PolarHBondContact O-N 2.86Å; D57-F60 WeakPolarHBondContact O-CD2 3.39Å; D57-F60 PolarHBondContact O-N 3.03Å; D57-F60 VanDerWaalsContact O-N 3.12Å |
| 58 | F | 95.8 | Very high | 95.7 | Very high | 15 Ų | 15 | 55.9 Ų | 55.9 | 7% | 0.066 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63 | -24.9 | -178.8 | 82.6 | -82.9 | 0 | 0 | 0 | 113 | L53 A56 F60 E61 W62 M125 P244 P246 L249 F253 | L53-F58 HydrophobicContact CD2-CE1 4.17Å; L53-F58 HydrophobicContact CD2-CZ 3.74Å; A56-F58 VanDerWaalsContact C-N 3.28Å; A56-F58 HydrophobicContact CB-CD1 3.59Å; A56-F58 HydrophobicContact CB-CE1 3.47Å; A56-F58 VanDerWaalsContact CB-CE1 3.47Å; A56-F58 PolarHBondContact O-N 3.02Å; F58-F60 VanDerWaalsContact C-N 3.33Å; F58-F60 PolarHBondContact O-N 3.18Å; F58-E61 PolarHBondContact O-N 2.83Å; F58-W62 AromaticContact CD2-CD1 3.91Å; F58-W62 AromaticContact CD2-NE1 3.54Å; F58-W62 HydrophobicContact CE2-CZ2 4.45Å; F58-W62 PolarHBondContact O-N 2.83Å; F58-W62 VanDerWaalsContact O-N 3.15Å; F58-M125 HydrophobicContact CE2-CE 3.58Å; F58-M125 HydrophobicContact CZ-CE 3.77Å; F58-P244 HydrophobicContact CB-CB 4.31Å; F58-P244 HydrophobicContact CB-CG 4.21Å; F58-P244 WeakPolarHBondContact CD2-O 3.46Å; F58-P246 HydrophobicContact CD1-CG 3.79Å; F58-P246 HydrophobicContact CE1-CG 3.89Å; F58-P246 HydrophobicContact CG-CG 4.32Å; F58-P246 HydrophobicContact CZ-CG 4.49Å; F58-L249 HydrophobicContact CE1-CD1 3.79Å; F58-L249 HydrophobicContact CZ-CD1 3.78Å; F58-F253 HydrophobicContact CE2-CD2 4.22Å; F58-F253 HydrophobicContact CE2-CE2 4.41Å; F58-F253 HydrophobicContact CZ-CD2 4.15Å; F58-F253 HydrophobicContact CZ-CE2 4.05Å |
| 59 | W | 97 | Very high | 95.2 | Very high | 10 Ų | 10 | 52 Ų | 52 | 4% | 0.038 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.5 | -38 | 176.4 | 168.4 | -118.6 | 0 | 0 | 0 | 111.6 | L53 A56 D57 E61 W62 R63 M125 L128 I129 | L53-W59 WeakPolarHBondContact O-CB 3.32Å; A56-W59 VanDerWaalsContact O-CB 3.29Å; A56-W59 WeakPolarHBondContact O-CB 3.48Å; A56-W59 PolarHBondContact O-N 2.85Å; D57-W59 PolarHBondContact O-N 2.86Å; W59-E61 VanDerWaalsContact C-N 3.28Å; W59-E61 PolarHBondContact O-N 2.89Å; W59-W62 HydrophobicContact CE3-CB 3.95Å; W59-W62 HydrophobicContact CZ3-CB 4.15Å; W59-W62 WeakPolarHBondContact O-CB 3.39Å; W59-W62 PolarHBondContact O-N 2.92Å; W59-R63 HydrophobicContact CZ2-CB 4.24Å; W59-R63 HydrophobicContact CZ2-CG 4.29Å; W59-R63 VanDerWaalsContact O-CB 3.29Å; W59-R63 WeakPolarHBondContact O-CB 3.46Å; W59-R63 PolarHBondContact O-N 2.75Å; W59-M125 HydrophobicContact CE3-CE 4.22Å; W59-M125 HydrophobicContact CE3-SD 3.48Å; W59-M125 HydrophobicContact CZ3-SD 3.48Å; W59-M125 WeakPolarHBondContact CZ3-SD 3.3Å; W59-L128 HydrophobicContact CD2-CD1 4.47Å; W59-L128 VanDerWaalsContact CH2-C 3.48Å; W59-L128 HydrophobicContact CH2-CB 3.67Å; W59-L128 WeakPolarHBondContact CH2-O 2.94Å; W59-L128 HydrophobicContact CZ2-CB 3.66Å; W59-L128 WeakPolarHBondContact CZ2-O 3.04Å; W59-L128 HydrophobicContact CZ3-CB 4.17Å; W59-I129 HydrophobicContact CH2-CG1 3.91Å; W59-I129 HydrophobicContact CZ3-CG1 3.83Å |
| 60 | F | 95.4 | Very high | 94.6 | Very high | 81 Ų | 81 | 53 Ų | 53 | 36% | 0.355 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 177.5 | -60.4 | -67.9 | 0 | 0 | 0 | 111.4 | D57 F58 R63 D64 | D57-F60 WeakPolarHBondContact O-CD2 3.39Å; D57-F60 PolarHBondContact O-N 3.03Å; D57-F60 VanDerWaalsContact O-N 3.12Å; F58-F60 VanDerWaalsContact C-N 3.33Å; F58-F60 PolarHBondContact O-N 3.18Å; F60-R63 PolarHBondContact O-N 3.41Å; F60-D64 WeakPolarHBondContact O-CB 3.44Å; F60-D64 PolarHBondContact O-N 3.17Å |
| 61 | E | 95.4 | Very high | 93.7 | Very high | 95 Ų | 95 | 58.6 Ų | 58.6 | 44% | 0.444 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 175.3 | -67.5 | -172.1 | -117.6 | 0 | 0 | 112.7 | F58 W59 R65 P244 | F58-E61 PolarHBondContact O-N 2.83Å; W59-E61 VanDerWaalsContact C-N 3.28Å; W59-E61 PolarHBondContact O-N 2.89Å; E61-R65 WeakPolarHBondContact O-CB 3.27Å; E61-R65 VanDerWaalsContact O-CG 3.26Å; E61-R65 WeakPolarHBondContact O-CG 3.19Å; E61-R65 PolarHBondContact O-N 3.16Å; E61-R65 VanDerWaalsContact O-N 3.16Å; E61-P244 HydrophobicContact CB-CG 3.74Å; E61-P244 HydrophobicContact CG-CG 4.39Å |
| 62 | W | 97 | Very high | 92.3 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.5 | -52.2 | 174 | -77.8 | 44.8 | 0 | 0 | 0 | 110.4 | F58 W59 D64 R65 L66 M125 I129 I208 L243 P244 F253 T256 | F58-W62 AromaticContact CD2-CD1 3.91Å; F58-W62 AromaticContact CD2-NE1 3.54Å; F58-W62 HydrophobicContact CE2-CZ2 4.45Å; F58-W62 PolarHBondContact O-N 2.83Å; F58-W62 VanDerWaalsContact O-N 3.15Å; W59-W62 HydrophobicContact CE3-CB 3.95Å; W59-W62 HydrophobicContact CZ3-CB 4.15Å; W59-W62 WeakPolarHBondContact O-CB 3.39Å; W59-W62 PolarHBondContact O-N 2.92Å; W62-D64 VanDerWaalsContact C-N 3.34Å; W62-D64 PolarHBondContact O-N 3.41Å; W62-R65 PolarHBondContact O-N 3.26Å; W62-L66 WeakPolarHBondContact O-CB 3.3Å; W62-L66 WeakPolarHBondContact O-CG 3.39Å; W62-L66 PolarHBondContact O-N 3.38Å; W62-M125 HydrophobicContact CD2-SD 4.48Å; W62-M125 HydrophobicContact CE3-CE 4.24Å; W62-M125 HydrophobicContact CE3-CG 4.13Å; W62-M125 HydrophobicContact CE3-SD 3.76Å; W62-M125 HydrophobicContact CH2-CG 4.4Å; W62-M125 HydrophobicContact CZ3-CE 4.25Å; W62-M125 HydrophobicContact CZ3-CG 3.67Å; W62-M125 HydrophobicContact CZ3-SD 3.91Å; W62-I129 HydrophobicContact CE3-CD1 4.42Å; W62-I129 HydrophobicContact CZ3-CD1 4.42Å; W62-I208 HydrophobicContact CZ3-CG2 4.34Å; W62-L243 HydrophobicContact CD2-CB 4.17Å; W62-L243 HydrophobicContact CD2-CD1 3.9Å; W62-L243 HydrophobicContact CD2-CD2 4.34Å; W62-L243 HydrophobicContact CD2-CG 4.37Å; W62-L243 HydrophobicContact CE3-CD1 3.91Å; W62-L243 HydrophobicContact CG-CD2 4.13Å; W62-L243 HydrophobicContact CH2-CD1 4.16Å; W62-L243 HydrophobicContact CZ2-CB 3.73Å; W62-L243 HydrophobicContact CZ2-CD1 4.15Å; W62-L243 HydrophobicContact CZ3-CD1 4.03Å; W62-P244 PolarHBondContact NE1-O 3.14Å; W62-F253 HydrophobicContact CH2-CD1 4.03Å; W62-F253 HydrophobicContact CH2-CG 4.41Å; W62-F253 HydrophobicContact CZ2-CB 4.31Å; W62-F253 HydrophobicContact CZ2-CG 4.48Å; W62-T256 HydrophobicContact CH2-CG2 3.71Å; W62-T256 HydrophobicContact CZ2-CG2 4.12Å |
| 63 | R | 95.8 | Very high | 90.6 | Very high | 86 Ų | 86 | 61.7 Ų | 61.7 | 33% | 0.325 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -55 | -48.1 | -178.9 | -169 | -160.8 | 60.4 | -164.1 | -8 | 112.1 | W59 F60 L66 T67 S132 | W59-R63 HydrophobicContact CZ2-CB 4.24Å; W59-R63 HydrophobicContact CZ2-CG 4.29Å; W59-R63 VanDerWaalsContact O-CB 3.29Å; W59-R63 WeakPolarHBondContact O-CB 3.46Å; W59-R63 PolarHBondContact O-N 2.75Å; F60-R63 PolarHBondContact O-N 3.41Å; R63-L66 PolarHBondContact O-N 3.45Å; R63-T67 VanDerWaalsContact O-CB 3.3Å; R63-T67 WeakPolarHBondContact O-CB 3.5Å; R63-T67 PolarHBondContact O-N 2.93Å; R63-T67 PolarHBondContact O-OG1 2.93Å; R63-S132 WeakPolarHBondContact CG-OG 3.24Å |
| 64 | D | 94.7 | Very high | 88.4 | Confident | 90 Ų | 90 | 65.2 Ų | 65.2 | 48% | 0.481 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.2 | -40.5 | -177 | -68.4 | -2.4 | 0 | 0 | 0 | 110.8 | F60 W62 A68 | F60-D64 WeakPolarHBondContact O-CB 3.44Å; F60-D64 PolarHBondContact O-N 3.17Å; W62-D64 VanDerWaalsContact C-N 3.34Å; W62-D64 PolarHBondContact O-N 3.41Å; D64-A68 WeakPolarHBondContact O-CB 3.45Å; D64-A68 PolarHBondContact O-N 3.43Å |
| 65 | R | 94.3 | Very high | 85.9 | Confident | 93 Ų | 93 | 63.6 Ų | 63.6 | 35% | 0.351 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.3 | -47.3 | 174.9 | -72.5 | 174.1 | -173.9 | -94.8 | 2.9 | 112.3 | E61 W62 T67 A68 V69 L258 | E61-R65 WeakPolarHBondContact O-CB 3.27Å; E61-R65 VanDerWaalsContact O-CG 3.26Å; E61-R65 WeakPolarHBondContact O-CG 3.19Å; E61-R65 PolarHBondContact O-N 3.16Å; E61-R65 VanDerWaalsContact O-N 3.16Å; W62-R65 PolarHBondContact O-N 3.26Å; R65-T67 VanDerWaalsContact C-N 3.33Å; R65-T67 PolarHBondContact O-N 2.86Å; R65-A68 WeakPolarHBondContact O-CB 3.46Å; R65-A68 PolarHBondContact O-N 2.92Å; R65-V69 PolarHBondContact O-N 2.89Å; R65-L258 HydrophobicContact CB-CD2 4.3Å |
| 66 | L | 94.1 | Very high | 83.2 | Confident | 5 Ų | 5 | 67.9 Ų | 67.9 | 3% | 0.026 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 179.9 | -70.5 | 168.2 | 0 | 0 | 0 | 111.4 | W62 R63 A68 V69 A70 I129 L133 I208 L258 | W62-L66 WeakPolarHBondContact O-CB 3.3Å; W62-L66 WeakPolarHBondContact O-CG 3.39Å; W62-L66 PolarHBondContact O-N 3.38Å; R63-L66 PolarHBondContact O-N 3.45Å; L66-A68 VanDerWaalsContact C-N 3.33Å; L66-A68 PolarHBondContact O-N 3.27Å; L66-V69 PolarHBondContact O-N 2.89Å; L66-A70 WeakPolarHBondContact O-CB 3.26Å; L66-A70 PolarHBondContact O-N 2.92Å; L66-I129 HydrophobicContact CD1-CD1 4.38Å; L66-I129 HydrophobicContact CD1-CG1 3.83Å; L66-I129 HydrophobicContact CD1-CG2 4.1Å; L66-L133 HydrophobicContact CB-CD1 4.48Å; L66-L133 HydrophobicContact CB-CD2 4.08Å; L66-I208 HydrophobicContact CD1-CD1 4.2Å; L66-I208 HydrophobicContact CD2-CD1 3.52Å; L66-I208 HydrophobicContact CD2-CG1 4.03Å; L66-L258 HydrophobicContact CD2-CD1 3.71Å; L66-L258 HydrophobicContact CD2-CD2 4.04Å; L66-L258 HydrophobicContact CD2-CG 4.48Å |
| 67 | T | 91.6 | Very high | 80.7 | Confident | 40 Ų | 40 | 73.9 Ų | 73.9 | 25% | 0.245 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.4 | -37.6 | 177.1 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | R63 R65 K71 | R63-T67 VanDerWaalsContact O-CB 3.3Å; R63-T67 WeakPolarHBondContact O-CB 3.5Å; R63-T67 PolarHBondContact O-N 2.93Å; R63-T67 PolarHBondContact O-OG1 2.93Å; R65-T67 VanDerWaalsContact C-N 3.33Å; R65-T67 PolarHBondContact O-N 2.86Å; T67-K71 HydrophobicContact CG2-CD 4.21Å; T67-K71 WeakPolarHBondContact O-CB 3.07Å; T67-K71 VanDerWaalsContact O-CG 3.27Å; T67-K71 WeakPolarHBondContact O-CG 3.47Å; T67-K71 PolarHBondContact O-N 3.04Å; T67-K71 VanDerWaalsContact O-N 3.11Å |
| 68 | A | 90.8 | Very high | 77.9 | Confident | 54 Ų | 54 | 71.1 Ų | 71.1 | 45% | 0.446 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D64 R65 L66 K71 V72 | D64-A68 WeakPolarHBondContact O-CB 3.45Å; D64-A68 PolarHBondContact O-N 3.43Å; R65-A68 WeakPolarHBondContact O-CB 3.46Å; R65-A68 PolarHBondContact O-N 2.92Å; L66-A68 VanDerWaalsContact C-N 3.33Å; L66-A68 PolarHBondContact O-N 3.27Å; A68-K71 PolarHBondContact O-N 3.45Å; A68-V72 WeakPolarHBondContact O-CG2 3.31Å; A68-V72 PolarHBondContact O-N 2.8Å |
| 69 | V | 87.6 | Confident | 75.1 | Confident | 23 Ų | 23 | 73.6 Ų | 73.6 | 14% | 0.139 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -63.5 | -48.9 | 176.5 | 168.4 | 0 | 0 | 0 | 0 | 111.3 | R65 L66 K71 V72 D73 T206 L258 T260 | R65-V69 PolarHBondContact O-N 2.89Å; L66-V69 PolarHBondContact O-N 2.89Å; V69-K71 PolarHBondContact O-N 2.96Å; V69-V72 PolarHBondContact O-N 2.85Å; V69-V72 VanDerWaalsContact O-N 3.09Å; V69-D73 PolarHBondContact O-N 2.85Å; V69-T206 HydrophobicContact CG1-CG2 4.3Å; V69-L258 HydrophobicContact CB-CD2 4.38Å; V69-L258 HydrophobicContact CG2-CD2 3.69Å; V69-L258 HydrophobicContact CG2-CG 4.5Å; V69-T260 HydrophobicContact CG1-CG2 3.63Å; V69-T260 HydrophobicContact CG2-CG2 4.34Å |
| 70 | A | 85.3 | Confident | 72.1 | Confident | 30 Ų | 30 | 80.7 Ų | 80.7 | 25% | 0.248 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -60.6 | -30.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L66 S74 L133 | L66-A70 WeakPolarHBondContact O-CB 3.26Å; L66-A70 PolarHBondContact O-N 2.92Å; A70-S74 PolarHBondContact O-OG 3.24Å; A70-L133 HydrophobicContact CB-CD2 3.99Å |
| 71 | K | 79.3 | Confident | 69.8 | Low | 145 Ų | 145 | 82.1 Ų | 82.1 | 63% | 0.63 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -74.5 | -35.9 | 175.6 | -76.5 | 176 | 179.1 | -179.8 | 0 | 113.3 | T67 A68 V69 D73 S74 | T67-K71 HydrophobicContact CG2-CD 4.21Å; T67-K71 WeakPolarHBondContact O-CB 3.07Å; T67-K71 VanDerWaalsContact O-CG 3.27Å; T67-K71 WeakPolarHBondContact O-CG 3.47Å; T67-K71 PolarHBondContact O-N 3.04Å; T67-K71 VanDerWaalsContact O-N 3.11Å; A68-K71 PolarHBondContact O-N 3.45Å; V69-K71 PolarHBondContact O-N 2.96Å; K71-D73 PolarHBondContact O-N 3.42Å; K71-S74 PolarHBondContact O-N 2.84Å |
| 72 | V | 69.1 | Low | 67.2 | Low | 111 Ų | 111 | 82.6 Ų | 82.6 | 67% | 0.673 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65 | -31.8 | 179.3 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | A68 V69 S74 | A68-V72 WeakPolarHBondContact O-CG2 3.31Å; A68-V72 PolarHBondContact O-N 2.8Å; V69-V72 PolarHBondContact O-N 2.85Å; V69-V72 VanDerWaalsContact O-N 3.09Å; V72-S74 VanDerWaalsContact C-N 3.34Å |
| 73 | D | 60.8 | Low | 64.4 | Low | 68 Ų | 68 | 87.5 Ų | 87.5 | 36% | 0.364 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -6.3 | 179.4 | -62 | -31.7 | 0 | 0 | 0 | 113.3 | V69 K71 | V69-D73 PolarHBondContact O-N 2.85Å; K71-D73 PolarHBondContact O-N 3.42Å |
| 74 | S | 52 | Low | 61.5 | Low | 74 Ų | 74 | 86.8 Ų | 86.8 | 52% | 0.517 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -94.8 | 114.9 | 174.1 | -61.8 | 0 | 0 | 0 | 0 | 109.5 | A70 K71 V72 E76 | A70-S74 PolarHBondContact O-OG 3.24Å; K71-S74 PolarHBondContact O-N 2.84Å; V72-S74 VanDerWaalsContact C-N 3.34Å; S74-E76 PolarHBondContact O-N 3.06Å |
| 75 | P | 44.1 | Very low | 58.8 | Low | 66 Ų | 66 | 88.3 Ų | 88.3 | 43% | 0.429 | 58% | 0.578 | S | S | . | * | trans | -62.4 | 124.4 | 172.5 | 23.4 | -29.6 | 0 | 0 | 0 | 109.3 | V77 A98 | P75-V77 PolarHBondContact O-N 3.12Å; P75-A98 HydrophobicContact CG-CB 4.31Å | ||
| 76 | E | 38.4 | Very low | 56.1 | Low | 193 Ų | 193 | 91.6 Ų | 91.6 | 90% | 0.902 | 60% | 0.603 | S | S | * | * | trans | -58.9 | 111.9 | 170.8 | -69.9 | -169.8 | 162.6 | 0 | 0 | 108.4 | S74 G78 | S74-E76 PolarHBondContact O-N 3.06Å; E76-G78 PolarHBondContact O-N 3.08Å | ||
| 77 | V | 42 | Very low | 53.9 | Low | 141 Ų | 141 | 96.9 Ų | 96.9 | 86% | 0.855 | 64% | 0.638 | S | S | * | * | trans | -72.1 | 83.9 | 165.4 | -179.3 | 0 | 0 | 0 | 0 | 106.4 | P75 G79 | P75-V77 PolarHBondContact O-N 3.12Å; V77-G79 PolarHBondContact O-N 3.39Å | ||
| 78 | G | 36.1 | Very low | 51.1 | Low | 73 Ų | 73 | 98.3 Ų | 98.3 | 75% | 0.753 | 66% | 0.66 | S | S | * | * | trans | -65.4 | 96.3 | 169 | 0 | 0 | 0 | 0 | 0 | 109 | E76 | E76-G78 PolarHBondContact O-N 3.08Š| ||
| 79 | G | 36.7 | Very low | 49.3 | Very low | 68 Ų | 68 | 101.4 Ų | 101.4 | 70% | 0.701 | 68% | 0.676 | S | S | * | * | trans | -76.7 | 115.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109 | V77 | V77-G79 PolarHBondContact O-N 3.39Š| ||
| 80 | D | 34.5 | Very low | 47.1 | Very low | 158 Ų | 158 | 109.8 Ų | 109.8 | 85% | 0.845 | 71% | 0.714 | S | S | * | * | trans | -142.4 | 150.4 | 154.4 | -107.6 | -22.9 | 0 | 0 | 0 | 110.4 | ||||
| 81 | P | 46.9 | Very low | 44.6 | Very low | 112 Ų | 112 | 111.8 Ų | 111.8 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | -89.1 | 146.6 | -153.5 | 34.6 | -35 | 0 | 0 | 0 | 113.8 | ||||
| 82 | A | 40.8 | Very low | 42.6 | Very low | 105 Ų | 105 | 109.2 Ų | 109.2 | 87% | 0.868 | 75% | 0.751 | S | S | * | * | trans | 1.7 | 119 | 157.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 83 | A | 37 | Very low | 41 | Very low | 103 Ų | 103 | 111.2 Ų | 111.2 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | trans | -161.1 | 102.7 | 138.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 84 | G | 36.8 | Very low | 40.1 | Very low | 70 Ų | 70 | 119 Ų | 119 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | 65.3 | 124.6 | 132.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 85 | S | 37.6 | Very low | 39.5 | Very low | 122 Ų | 122 | 119.8 Ų | 119.8 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | 106 | 102.6 | 136.1 | -15.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 86 | D | 36.3 | Very low | 39.6 | Very low | 162 Ų | 162 | 126 Ų | 126 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | 79 | 132 | 136.1 | -135.6 | 30 | 0 | 0 | 0 | 122 | ||||
| 87 | P | 48.5 | Very low | 39.8 | Very low | 117 Ų | 117 | 125.2 Ų | 125.2 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | trans | -100.7 | 128.1 | -177.3 | 36 | -24.4 | 0 | 0 | 0 | 113 | ||||
| 88 | G | 32 | Very low | 40.2 | Very low | 70 Ų | 70 | 120.9 Ų | 120.9 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | -107.9 | 153.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 89 | P | 53.4 | Low | 40.7 | Very low | 119 Ų | 119 | 120.8 Ų | 120.8 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | trans | -94.3 | 154.6 | -164.1 | 37.5 | -33.7 | 0 | 0 | 0 | 114.1 | ||||
| 90 | E | 41.4 | Very low | 41.5 | Very low | 199 Ų | 199 | 122 Ų | 122 | 93% | 0.93 | 77% | 0.767 | S | S | * | * | trans | 76 | 117.9 | 156.5 | -66.6 | 179.1 | -172.1 | 0 | 0 | 120 | ||||
| 91 | G | 33 | Very low | 42.9 | Very low | 72 Ų | 72 | 115.7 Ų | 115.7 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | trans | 159.6 | 68 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | D93 | G91-D93 PolarHBondContact O-N 2.98Š| ||
| 92 | G | 38.1 | Very low | 44.5 | Very low | 90 Ų | 90 | 113.7 Ų | 113.7 | 93% | 0.928 | 73% | 0.727 | S | S | * | * | trans | -69.4 | 76.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 93 | D | 35.5 | Very low | 47 | Very low | 153 Ų | 153 | 110.5 Ų | 110.5 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | trans | -99.2 | 96.8 | 157 | -146.7 | 0.6 | 0 | 0 | 0 | 105.8 | G91 A95 | G91-D93 PolarHBondContact O-N 2.98Å; D93-A95 PolarHBondContact O-N 3.22Å | ||
| 94 | R | 40.6 | Very low | 49.8 | Very low | 233 Ų | 233 | 108.1 Ų | 108.1 | 88% | 0.879 | 67% | 0.666 | S | S | * | * | trans | -64.1 | 93.4 | 169.8 | -79.1 | -176.4 | 178.6 | -175.6 | -0.8 | 105.6 | R96 | R94-R96 VanDerWaalsContact C-N 3.29Å; R94-R96 PolarHBondContact O-N 2.75Å | ||
| 95 | A | 39.7 | Very low | 52.7 | Low | 90 Ų | 90 | 104.8 Ų | 104.8 | 74% | 0.744 | 63% | 0.632 | S | S | * | * | trans | -46.4 | 104.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 105.8 | D93 E97 | D93-A95 PolarHBondContact O-N 3.22Å; A95-E97 VanDerWaalsContact C-N 3.33Å; A95-E97 PolarHBondContact O-N 3.46Å | ||
| 96 | R | 46.3 | Very low | 55.6 | Low | 195 Ų | 195 | 99.1 Ų | 99.1 | 74% | 0.736 | 59% | 0.592 | S | S | * | * | trans | -59.3 | 104.6 | 176.3 | -84.6 | 173 | 157.8 | -163.7 | -13 | 104.6 | R94 A98 D200 | R94-R96 VanDerWaalsContact C-N 3.29Å; R94-R96 PolarHBondContact O-N 2.75Å; R96-A98 PolarHBondContact O-N 3.31Å; R96-D200 IonicContact CZ-OD1 3.79Å; R96-D200 IonicContact CZ-OD2 3.51Å; R96-D200 IonicContact NH1-OD1 2.85Å; R96-D200 PolarHBondContact NH1-OD1 2.84Å; R96-D200 IonicContact NH1-OD2 3.28Å; R96-D200 PolarHBondContact NH1-OD2 3.08Å; R96-D200 IonicContact NH2-OD1 3.9Å; R96-D200 IonicContact NH2-OD2 2.89Å; R96-D200 PolarHBondContact NH2-OD2 2.84Å | ||
| 97 | E | 41.8 | Very low | 58.6 | Low | 178 Ų | 178 | 91.4 Ų | 91.4 | 83% | 0.832 | 55% | 0.551 | S | S | * | * | trans | -48 | 126.5 | 169.8 | -75.6 | 174 | 161.8 | 0 | 0 | 106.8 | A95 | A95-E97 VanDerWaalsContact C-N 3.33Å; A95-E97 PolarHBondContact O-N 3.46Å | ||
| 98 | A | 50.8 | Low | 61 | Low | 50 Ų | 50 | 86.1 Ų | 86.1 | 41% | 0.413 | 52% | 0.516 | S | S | . | . | trans | -51.6 | 144.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | P75 R96 S100 | P75-A98 HydrophobicContact CG-CB 4.31Å; R96-A98 PolarHBondContact O-N 3.31Å; A98-S100 PolarHBondContact O-N 2.89Å | ||
| 99 | P | 48.2 | Very low | 64.1 | Low | 70 Ų | 70 | 84 Ų | 84 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | trans | -64.4 | 82.4 | -176.3 | 26 | -33.6 | 0 | 0 | 0 | 110.5 | G101 P176 L204 | P99-G101 PolarHBondContact O-N 3.08Å; P99-P176 HydrophobicContact CB-CG 4.42Å; P99-P176 WeakPolarHBondContact O-CG 3.42Å; P99-L204 HydrophobicContact CB-CD2 3.49Å; P99-L204 VanDerWaalsContact CB-CD2 3.49Å; P99-L204 HydrophobicContact CG-CD2 3.32Å | ||
| 100 | S | 51.9 | Low | 66.1 | Low | 93 Ų | 93 | 78.5 Ų | 78.5 | 65% | 0.65 | 46% | 0.458 | S | S | * | . | trans | -83.3 | 76.6 | 174.6 | 61.9 | 0 | 0 | 0 | 0 | 107.4 | A98 | A98-S100 PolarHBondContact O-N 2.89Š| ||
| 101 | G | 64.8 | Low | 68.7 | Low | 27 Ų | 27 | 69.9 Ų | 69.9 | 28% | 0.278 | 42% | 0.423 | S | S | . | . | trans | -119.6 | 149.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109 | P99 | P99-G101 PolarHBondContact O-N 3.08Š| ||
| 102 | P | 80.3 | Confident | 71.7 | Confident | 69 Ų | 69 | 67.8 Ų | 67.8 | 45% | 0.448 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 137.9 | -179.4 | 42.7 | -43.7 | 0 | 0 | 0 | 107.5 | E104 W139 | P102-E104 PolarHBondContact O-N 3.48Å; P102-W139 HydrophobicContact CB-CE3 4.47Å; P102-W139 HydrophobicContact CB-CH2 3.38Å; P102-W139 HydrophobicContact CB-CZ3 3.22Å; P102-W139 HydrophobicContact CG-CE3 4.39Å; P102-W139 HydrophobicContact CG-CH2 3.11Å; P102-W139 HydrophobicContact CG-CZ2 4.19Å; P102-W139 HydrophobicContact CG-CZ3 3.25Å |
| 103 | L | 92.5 | Very high | 74.5 | Confident | 39 Ų | 39 | 63.5 Ų | 63.5 | 20% | 0.204 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 124.9 | -165.3 | 179.3 | 61.7 | 0 | 0 | 0 | 111.4 | L133 I135 P176 L178 | L103-L133 HydrophobicContact CD2-CD1 4.14Å; L103-I135 HydrophobicContact CB-CD1 4.49Å; L103-I135 HydrophobicContact CB-CG1 4.28Å; L103-I135 HydrophobicContact CD2-CD1 3.66Å; L103-I135 HydrophobicContact CD2-CG1 4.06Å; L103-I135 HydrophobicContact CG-CD1 3.78Å; L103-I135 HydrophobicContact CG-CG1 4.11Å; L103-I135 WeakPolarHBondContact O-CG2 3.41Å; L103-P176 HydrophobicContact CD1-CB 3.96Å; L103-L178 HydrophobicContact CD1-CB 4.41Å |
| 104 | E | 96 | Very high | 77.4 | Confident | 52 Ų | 52 | 57.2 Ų | 57.2 | 24% | 0.243 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 159.7 | 174.3 | -72.6 | 178.2 | 171.6 | 0 | 0 | 111.3 | P102 W139 R175 P176 T177 L178 | P102-E104 PolarHBondContact O-N 3.48Å; E104-W139 HydrophobicContact CG-CE3 4.43Å; E104-R175 VanDerWaalsContact CD-CD 3.47Å; E104-R175 HydrophobicContact CG-CG 4.42Å; E104-R175 WeakPolarHBondContact OE1-CD 3.39Å; E104-R175 IonicContact OE1-CZ 3.16Å; E104-R175 IonicContact OE1-NE 3.51Å; E104-R175 IonicContact OE1-NH1 2.68Å; E104-R175 PolarHBondContact OE1-NH1 3.32Å; E104-R175 IonicContact OE1-NH2 3.37Å; E104-P176 PolarHBondContact N-O 3.23Å; E104-T177 HydrophobicContact CB-CG2 4.37Å; E104-T177 WeakPolarHBondContact O-CA 3.43Å; E104-L178 PolarHBondContact O-N 3.49Å |
| 105 | C | 98.5 | Very high | 80 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 141.6 | 174.3 | -175.4 | 0 | 0 | 0 | 0 | 112 | L130 I135 W139 C140 S141 L178 | C105-L130 HydrophobicContact CB-CD2 3.63Å; C105-I135 HydrophobicContact CB-CD1 4.24Å; C105-I135 HydrophobicContact CB-CG2 4.3Å; C105-W139 PolarHBondContact N-O 3.07Å; C105-W139 VanDerWaalsContact N-O 3.08Å; C105-W139 VanDerWaalsContact O-O 3.13Å; C105-C140 HydrophobicContact CB-CB 4.09Å; C105-C140 CarbonylContact O-C 3.5Å; C105-C140 VanDerWaalsContact O-CA 3.31Å; C105-C140 WeakPolarHBondContact O-CA 3.47Å; C105-S141 PolarHBondContact O-N 2.55Å; C105-L178 CarbonylContact C-O 3.56Å; C105-L178 VanDerWaalsContact CA-O 3.23Å; C105-L178 WeakPolarHBondContact CA-O 3.48Å; C105-L178 HydrophobicContact CB-CB 4.48Å; C105-L178 PolarHBondContact SG-O 3.13Å |
| 106 | V | 98.7 | Very high | 82.7 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 119.7 | 173.5 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | Y108 S141 T177 L178 F179 Y180 | V106-Y108 HydrophobicContact CG1-CD2 4.14Å; V106-Y108 HydrophobicContact CG1-CE1 3.97Å; V106-Y108 HydrophobicContact CG1-CE2 3.52Å; V106-Y108 VanDerWaalsContact CG1-CZ 3.42Å; V106-S141 CarbonylContact C-O 3.56Å; V106-S141 VanDerWaalsContact CA-O 3.3Å; V106-S141 WeakPolarHBondContact CA-O 3.44Å; V106-T177 HydrophobicContact CG2-CG2 3.9Å; V106-L178 PolarHBondContact N-O 3.27Å; V106-F179 HydrophobicContact CB-CD1 3.71Å; V106-F179 HydrophobicContact CB-CE1 3.78Å; V106-F179 HydrophobicContact CG1-CD1 4.1Å; V106-F179 HydrophobicContact CG1-CE1 4.07Å; V106-F179 HydrophobicContact CG2-CD1 4.42Å; V106-F179 HydrophobicContact CG2-CE1 4.04Å; V106-F179 CarbonylContact O-C 3.5Å; V106-F179 VanDerWaalsContact O-CA 3.28Å; V106-F179 WeakPolarHBondContact O-CA 3.49Å; V106-Y180 PolarHBondContact O-N 3.39Å |
| 107 | C | 98.8 | Very high | 85.1 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.007 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 124.6 | 175.4 | 177.8 | 0 | 0 | 0 | 0 | 110.2 | L126 S141 V142 Y143 Y180 | C107-L126 HydrophobicContact CB-CD2 3.71Å; C107-S141 PolarHBondContact N-O 3.05Å; C107-V142 HydrophobicContact CB-CB 4.33Å; C107-V142 HydrophobicContact CB-CG1 3.88Å; C107-V142 CarbonylContact O-C 3.5Å; C107-V142 WeakPolarHBondContact O-CA 3.23Å; C107-Y143 PolarHBondContact O-N 2.97Å; C107-Y180 WeakPolarHBondContact CA-O 3.33Å; C107-Y180 HydrophobicContact CB-CD1 4.43Å |
| 108 | Y | 98.6 | Very high | 87.7 | Confident | 5 Ų | 5 | 36.5 Ų | 36.5 | 2% | 0.02 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 148.3 | 169.5 | -63.8 | -61.4 | 0 | 0 | 0 | 110.4 | V106 Y143 L163 E167 R171 F179 Y180 L181 C184 | V106-Y108 HydrophobicContact CG1-CD2 4.14Å; V106-Y108 HydrophobicContact CG1-CE1 3.97Å; V106-Y108 HydrophobicContact CG1-CE2 3.52Å; V106-Y108 VanDerWaalsContact CG1-CZ 3.42Å; Y108-Y143 CarbonylContact C-O 3.6Å; Y108-Y143 WeakPolarHBondContact CA-O 3.4Å; Y108-Y143 HydrophobicContact CD1-CD1 4.35Å; Y108-L163 HydrophobicContact CE1-CD1 4.33Å; Y108-E167 PolarHBondContact OH-OE2 3.19Å; Y108-R171 VanDerWaalsContact OH-CB 3.27Å; Y108-R171 WeakPolarHBondContact OH-CB 3.19Å; Y108-F179 HydrophobicContact CE2-CD1 4.12Å; Y108-F179 HydrophobicContact CE2-CE1 4.2Å; Y108-Y180 PolarHBondContact N-O 3.49Å; Y108-L181 HydrophobicContact CD2-CD2 4.3Å; Y108-C184 PolarHBondContact O-SG 2.86Å |
| 109 | G | 96.7 | Very high | 90 | Very high | 25 Ų | 25 | 34.2 Ų | 34.2 | 26% | 0.258 | 23% | 0.231 | S | C | . | . | trans | 70.3 | 39 | 164.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | G111 Y143 D144 | G109-G111 VanDerWaalsContact C-N 3.34Å; G109-Y143 PolarHBondContact N-O 2.92Å; G109-D144 WeakPolarHBondContact CA-OD2 3.49Å | ||
| 110 | L | 96.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | trans | -70 | -28.5 | -178.7 | -171.4 | 69.3 | 0 | 0 | 0 | 113.6 | F113 A119 Q122 L123 D144 F147 | L110-F113 HydrophobicContact CD2-CD1 3.9Å; L110-F113 HydrophobicContact CD2-CE1 4.37Å; L110-A119 WeakPolarHBondContact O-CA 3.45Å; L110-A119 WeakPolarHBondContact O-CB 3.45Å; L110-Q122 HydrophobicContact CD1-CB 3.96Å; L110-L123 HydrophobicContact CD1-CB 4.07Å; L110-L123 HydrophobicContact CD2-CB 3.97Å; L110-L123 HydrophobicContact CD2-CD1 3.87Å; L110-L123 HydrophobicContact CD2-CD2 4.26Å; L110-L123 HydrophobicContact CD2-CG 4.22Å; L110-L123 HydrophobicContact CG-CB 4.41Å; L110-D144 PolarHBondContact N-OD2 3.08Å; L110-F147 HydrophobicContact CB-CE1 3.96Å; L110-F147 HydrophobicContact CB-CZ 3.83Å; L110-F147 HydrophobicContact CD2-CE1 4.01Å; L110-F147 HydrophobicContact CD2-CZ 3.87Å; L110-F147 HydrophobicContact CG-CE1 4.47Å; L110-F147 HydrophobicContact CG-CZ 4.48Å | ||
| 111 | G | 95.8 | Very high | 94.6 | Very high | 19 Ų | 19 | 28.6 Ų | 28.6 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | trans | 78.1 | 179.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G109 F113 D144 F147 | G109-G111 VanDerWaalsContact C-N 3.34Å; G111-F113 PolarHBondContact O-N 3.45Å; G111-F113 VanDerWaalsContact O-N 3.09Å; G111-D144 WeakPolarHBondContact CA-OD2 3.28Å; G111-D144 PolarHBondContact N-OD2 2.94Å; G111-F147 WeakPolarHBondContact O-CE1 3.31Å | ||
| 112 | S | 96.3 | Very high | 96.2 | Very high | 28 Ų | 28 | 27.8 Ų | 27.8 | 20% | 0.196 | 18% | 0.175 | C | C | . | . | trans | -78.5 | 91.4 | -179.7 | 179.3 | 0 | 0 | 0 | 0 | 111.5 | S114 C115 C116 E151 | S112-S114 VanDerWaalsContact C-N 3.29Å; S112-S114 PolarHBondContact O-N 2.96Å; S112-S114 PolarHBondContact OG-OG 3.44Å; S112-C115 PolarHBondContact O-N 3.18Å; S112-C115 PolarHBondContact OG-SG 2.88Å; S112-C116 WeakPolarHBondContact O-CA 3.42Å; S112-C116 WeakPolarHBondContact O-CB 3.35Å; S112-C116 PolarHBondContact O-N 3.17Å; S112-E151 WeakPolarHBondContact CA-OE1 3.14Å; S112-E151 WeakPolarHBondContact CB-OE1 3.37Å; S112-E151 PolarHBondContact OG-OE1 3.5Å; S112-E151 PolarHBondContact OG-OE2 3.26Å | ||
| 113 | F | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -16.6 | -176.4 | 57.7 | -95.1 | 0 | 0 | 0 | 114.8 | T42 I46 L110 G111 A119 R120 L123 F147 E151 V154 L155 | T42-F113 HydrophobicContact CG2-CD2 3.83Å; T42-F113 HydrophobicContact CG2-CE2 3.73Å; I46-F113 HydrophobicContact CD1-CD2 4.05Å; I46-F113 HydrophobicContact CD1-CE2 4.1Å; L110-F113 HydrophobicContact CD2-CD1 3.9Å; L110-F113 HydrophobicContact CD2-CE1 4.37Å; G111-F113 PolarHBondContact O-N 3.45Å; G111-F113 VanDerWaalsContact O-N 3.09Å; F113-A119 HydrophobicContact CB-CB 4.01Å; F113-R120 HydrophobicContact CB-CB 4.32Å; F113-R120 PolarHBondContact O-NE 2.94Å; F113-R120 PolarHBondContact O-NH2 2.51Å; F113-R120 VanDerWaalsContact O-NH2 3.11Å; F113-L123 HydrophobicContact CB-CD2 4.34Å; F113-L123 HydrophobicContact CD1-CD2 3.96Å; F113-L123 HydrophobicContact CD2-CD2 3.86Å; F113-L123 HydrophobicContact CE1-CD2 4.19Å; F113-L123 HydrophobicContact CE2-CD2 4.08Å; F113-L123 HydrophobicContact CG-CD2 3.78Å; F113-L123 HydrophobicContact CZ-CD2 4.23Å; F113-F147 HydrophobicContact CD1-CE1 4.1Å; F113-F147 HydrophobicContact CE1-CD1 4.22Å; F113-F147 AromaticContact CE1-CE1 3.97Å; F113-F147 HydrophobicContact CE1-CE1 3.97Å; F113-E151 HydrophobicContact CD1-CG 4.38Å; F113-E151 HydrophobicContact CD2-CG 4.34Å; F113-E151 HydrophobicContact CE1-CB 3.66Å; F113-E151 HydrophobicContact CE1-CG 3.85Å; F113-E151 HydrophobicContact CE2-CB 4.16Å; F113-E151 HydrophobicContact CE2-CG 3.82Å; F113-E151 HydrophobicContact CZ-CB 3.41Å; F113-E151 VanDerWaalsContact CZ-CB 3.41Å; F113-E151 HydrophobicContact CZ-CG 3.56Å; F113-E151 WeakPolarHBondContact CZ-O 3.33Å; F113-E151 PolarHBondContact N-OE1 3.25Å; F113-V154 HydrophobicContact CE2-CB 4.25Å; F113-V154 HydrophobicContact CE2-CG1 3.96Å; F113-V154 HydrophobicContact CZ-CB 4.37Å; F113-V154 HydrophobicContact CZ-CG1 4.35Å; F113-L155 HydrophobicContact CE1-CD1 3.85Å; F113-L155 HydrophobicContact CE1-CD2 3.95Å; F113-L155 HydrophobicContact CE1-CG 3.86Å; F113-L155 HydrophobicContact CZ-CD1 4.2Å; F113-L155 HydrophobicContact CZ-CD2 4.06Å; F113-L155 HydrophobicContact CZ-CG 3.79Å |
| 114 | S | 96.4 | Very high | 97.4 | Very high | 21 Ų | 21 | 22.6 Ų | 22.6 | 15% | 0.147 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -43 | 173.6 | 62.3 | 0 | 0 | 0 | 0 | 111.2 | R45 S112 R120 E151 | R45-S114 PolarHBondContact NH1-O 2.9Å; S112-S114 VanDerWaalsContact C-N 3.29Å; S112-S114 PolarHBondContact O-N 2.96Å; S112-S114 PolarHBondContact OG-OG 3.44Å; S114-R120 PolarHBondContact O-NH2 3.18Å; S114-E151 VanDerWaalsContact CB-OE1 3.27Å; S114-E151 WeakPolarHBondContact CB-OE1 3.27Å; S114-E151 PolarHBondContact N-OE1 3.22Å; S114-E151 PolarHBondContact OG-OE1 3.38Å |
| 115 | C | 94.6 | Very high | 97.5 | Very high | 96 Ų | 96 | 20.1 Ų | 20.1 | 65% | 0.649 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -30.1 | -177.1 | 75.3 | 0 | 0 | 0 | 0 | 113.9 | S112 | S112-C115 PolarHBondContact O-N 3.18Å; S112-C115 PolarHBondContact OG-SG 2.88Å |
| 116 | C | 96.8 | Very high | 97.5 | Very high | 51 Ų | 51 | 20.1 Ų | 20.1 | 35% | 0.345 | 13% | 0.133 | S | C | . | . | trans | -96.6 | 125.4 | -178.3 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | S112 A119 R120 | S112-C116 WeakPolarHBondContact O-CA 3.42Å; S112-C116 WeakPolarHBondContact O-CB 3.35Å; S112-C116 PolarHBondContact O-N 3.17Å; C116-A119 HydrophobicContact CB-CB 3.91Å; C116-R120 PolarHBondContact O-N 2.71Å | ||
| 117 | V | 96.7 | Very high | 97.5 | Very high | 75 Ų | 75 | 20.2 Ų | 20.2 | 46% | 0.455 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -66.9 | -44.4 | 177.2 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | A119 R120 Y121 | V117-A119 PolarHBondContact O-N 3.17Å; V117-R120 WeakPolarHBondContact O-CB 3.46Å; V117-R120 PolarHBondContact O-N 3.26Å; V117-Y121 HydrophobicContact CG1-CD2 3.65Å; V117-Y121 HydrophobicContact CG1-CE2 3.54Å; V117-Y121 WeakPolarHBondContact O-CD2 3.48Å; V117-Y121 PolarHBondContact O-N 2.91Å |
| 118 | T | 96.9 | Very high | 97.5 | Very high | 38 Ų | 38 | 20.2 Ų | 20.2 | 23% | 0.233 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -54.7 | -51.7 | 177.5 | -60.3 | 0 | 0 | 0 | 0 | 112 | R120 Y121 Q122 I252 | T118-R120 PolarHBondContact O-N 3.48Å; T118-Y121 PolarHBondContact O-N 3.42Å; T118-Y121 VanDerWaalsContact O-N 3.16Å; T118-Q122 WeakPolarHBondContact O-CG 3.45Å; T118-Q122 PolarHBondContact O-N 2.86Å; T118-I252 HydrophobicContact CG2-CB 4.32Å; T118-I252 HydrophobicContact CG2-CG1 4.27Å; T118-I252 HydrophobicContact CG2-CG2 4.15Å |
| 119 | A | 97.9 | Very high | 97.5 | Very high | 3 Ų | 3 | 20 Ų | 20 | 3% | 0.025 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.5 | -36.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L110 F113 C116 V117 Q122 L123 | L110-A119 WeakPolarHBondContact O-CA 3.45Å; L110-A119 WeakPolarHBondContact O-CB 3.45Å; F113-A119 HydrophobicContact CB-CB 4.01Å; C116-A119 HydrophobicContact CB-CB 3.91Å; V117-A119 PolarHBondContact O-N 3.17Å; A119-Q122 PolarHBondContact O-N 3.39Å; A119-L123 WeakPolarHBondContact O-CB 3.36Å; A119-L123 PolarHBondContact O-N 3.12Å |
| 120 | R | 98.4 | Very high | 97.5 | Very high | 12 Ų | 12 | 18.9 Ų | 18.9 | 5% | 0.045 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.3 | -43 | 176.1 | -164.9 | -178.4 | -48.1 | 112.6 | 22.1 | 113 | R45 I46 F113 S114 C116 V117 T118 Q122 L123 A124 | R45-R120 VanDerWaalsContact CZ-NH1 3.31Å; R45-R120 VanDerWaalsContact NH2-CZ 3.3Å; I46-R120 HydrophobicContact CG1-CG 3.94Å; F113-R120 HydrophobicContact CB-CB 4.32Å; F113-R120 PolarHBondContact O-NE 2.94Å; F113-R120 PolarHBondContact O-NH2 2.51Å; F113-R120 VanDerWaalsContact O-NH2 3.11Å; S114-R120 PolarHBondContact O-NH2 3.18Å; C116-R120 PolarHBondContact O-N 2.71Å; V117-R120 WeakPolarHBondContact O-CB 3.46Å; V117-R120 PolarHBondContact O-N 3.26Å; T118-R120 PolarHBondContact O-N 3.48Å; R120-Q122 VanDerWaalsContact C-N 3.31Å; R120-L123 PolarHBondContact O-N 2.99Å; R120-A124 WeakPolarHBondContact O-CB 3.34Å; R120-A124 PolarHBondContact O-N 3.18Å |
| 121 | Y | 98.6 | Very high | 97.5 | Very high | 33 Ų | 33 | 23.6 Ų | 23.6 | 13% | 0.129 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.6 | -38.7 | 174.3 | -86.3 | -97.4 | 0 | 0 | 0 | 111.4 | T49 E52 L53 V117 T118 A124 M125 L249 I252 | T49-Y121 HydrophobicContact CG2-CD1 3.47Å; T49-Y121 VanDerWaalsContact CG2-CD1 3.47Å; T49-Y121 HydrophobicContact CG2-CD2 3.8Å; T49-Y121 HydrophobicContact CG2-CE1 3.65Å; T49-Y121 HydrophobicContact CG2-CE2 3.99Å; T49-Y121 HydrophobicContact CG2-CG 3.54Å; E52-Y121 PolarHBondContact OE1-OH 3.21Å; E52-Y121 PolarHBondContact OE2-OH 2.92Å; L53-Y121 HydrophobicContact CD1-CD1 4.14Å; L53-Y121 HydrophobicContact CD2-CD1 3.99Å; L53-Y121 HydrophobicContact CD2-CE1 4.32Å; L53-Y121 HydrophobicContact CG-CD1 4.11Å; L53-Y121 HydrophobicContact CG-CE1 4.44Å; V117-Y121 HydrophobicContact CG1-CD2 3.65Å; V117-Y121 HydrophobicContact CG1-CE2 3.54Å; V117-Y121 WeakPolarHBondContact O-CD2 3.48Å; V117-Y121 PolarHBondContact O-N 2.91Å; T118-Y121 PolarHBondContact O-N 3.42Å; T118-Y121 VanDerWaalsContact O-N 3.16Å; Y121-A124 PolarHBondContact O-N 3.49Å; Y121-M125 WeakPolarHBondContact O-CB 3.38Å; Y121-M125 PolarHBondContact O-N 3.19Å; Y121-L249 HydrophobicContact CD1-CD2 4.33Å; Y121-L249 HydrophobicContact CE1-CD2 4.06Å; Y121-I252 HydrophobicContact CD1-CD1 4.15Å; Y121-I252 HydrophobicContact CD2-CD1 3.7Å; Y121-I252 HydrophobicContact CE2-CD1 4.31Å; Y121-I252 HydrophobicContact CG-CD1 3.61Å; Y121-I252 HydrophobicContact CG-CG2 4.49Å |
| 122 | Q | 98.2 | Very high | 97.5 | Very high | 9 Ų | 9 | 24.1 Ų | 24.1 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.9 | -39.4 | 174.8 | -71.2 | 177.7 | -16.2 | 0 | 0 | 112.2 | L110 T118 A119 R120 M125 L126 Y180 M182 H183 I252 F253 | L110-Q122 HydrophobicContact CD1-CB 3.96Å; T118-Q122 WeakPolarHBondContact O-CG 3.45Å; T118-Q122 PolarHBondContact O-N 2.86Å; A119-Q122 PolarHBondContact O-N 3.39Å; R120-Q122 VanDerWaalsContact C-N 3.31Å; Q122-M125 PolarHBondContact O-N 3.37Å; Q122-L126 PolarHBondContact O-N 2.86Å; Q122-Y180 HydrophobicContact CB-CE1 4.46Å; Q122-Y180 PolarHBondContact O-OH 2.94Å; Q122-M182 HydrophobicContact CG-CB 4.28Å; Q122-H183 PolarHBondContact NE2-CD2 2.83Å; Q122-I252 HydrophobicContact CG-CG2 4.16Å; Q122-F253 HydrophobicContact CG-CE1 4.39Å |
| 123 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.4 | -46 | 174.4 | -179.9 | 52.1 | 0 | 0 | 0 | 111.5 | I46 L110 F113 A119 R120 M125 L126 L127 L155 L160 | I46-L123 HydrophobicContact CD1-CD2 3.69Å; I46-L123 HydrophobicContact CG1-CD2 4.23Å; L110-L123 HydrophobicContact CD1-CB 4.07Å; L110-L123 HydrophobicContact CD2-CB 3.97Å; L110-L123 HydrophobicContact CD2-CD1 3.87Å; L110-L123 HydrophobicContact CD2-CD2 4.26Å; L110-L123 HydrophobicContact CD2-CG 4.22Å; L110-L123 HydrophobicContact CG-CB 4.41Å; F113-L123 HydrophobicContact CB-CD2 4.34Å; F113-L123 HydrophobicContact CD1-CD2 3.96Å; F113-L123 HydrophobicContact CD2-CD2 3.86Å; F113-L123 HydrophobicContact CE1-CD2 4.19Å; F113-L123 HydrophobicContact CE2-CD2 4.08Å; F113-L123 HydrophobicContact CG-CD2 3.78Å; F113-L123 HydrophobicContact CZ-CD2 4.23Å; A119-L123 WeakPolarHBondContact O-CB 3.36Å; A119-L123 PolarHBondContact O-N 3.12Å; R120-L123 PolarHBondContact O-N 2.99Å; L123-M125 VanDerWaalsContact C-N 3.28Å; L123-M125 PolarHBondContact O-N 3.01Å; L123-L126 HydrophobicContact CD1-CD2 4.36Å; L123-L126 WeakPolarHBondContact O-CB 3.48Å; L123-L126 PolarHBondContact O-N 3.15Å; L123-L127 HydrophobicContact CD1-CD1 4.37Å; L123-L127 HydrophobicContact CD1-CG 4.25Å; L123-L127 HydrophobicContact CG-CD1 4.31Å; L123-L127 WeakPolarHBondContact O-CG 3.38Å; L123-L127 PolarHBondContact O-N 3.32Å; L123-L155 HydrophobicContact CD1-CD2 3.97Å; L123-L155 HydrophobicContact CD2-CD2 4.01Å; L123-L160 HydrophobicContact CD1-CD1 4.25Å |
| 124 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60 | -40.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T49 M50 L53 R120 Y121 L127 L128 | T49-A124 HydrophobicContact CG2-CB 3.63Å; M50-A124 HydrophobicContact CB-CB 4.43Å; M50-A124 HydrophobicContact CG-CB 3.6Å; L53-A124 HydrophobicContact CD1-CB 3.86Å; R120-A124 WeakPolarHBondContact O-CB 3.34Å; R120-A124 PolarHBondContact O-N 3.18Å; Y121-A124 PolarHBondContact O-N 3.49Å; A124-L127 PolarHBondContact O-N 2.66Å; A124-L128 WeakPolarHBondContact O-CG 3.36Å; A124-L128 PolarHBondContact O-N 3.32Å; A124-L128 VanDerWaalsContact O-N 3.08Å |
| 125 | M | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.2 | -45.4 | 174.5 | -176.7 | 60.7 | 77 | 0 | 0 | 111.8 | L53 F58 W59 W62 Y121 Q122 L123 L127 L128 I129 F253 | L53-M125 HydrophobicContact CD1-CB 4.16Å; L53-M125 HydrophobicContact CD1-CE 4.23Å; L53-M125 HydrophobicContact CD2-CE 4.09Å; F58-M125 HydrophobicContact CE2-CE 3.58Å; F58-M125 HydrophobicContact CZ-CE 3.77Å; W59-M125 HydrophobicContact CE3-CE 4.22Å; W59-M125 HydrophobicContact CE3-SD 3.48Å; W59-M125 HydrophobicContact CZ3-SD 3.48Å; W59-M125 WeakPolarHBondContact CZ3-SD 3.3Å; W62-M125 HydrophobicContact CD2-SD 4.48Å; W62-M125 HydrophobicContact CE3-CE 4.24Å; W62-M125 HydrophobicContact CE3-CG 4.13Å; W62-M125 HydrophobicContact CE3-SD 3.76Å; W62-M125 HydrophobicContact CH2-CG 4.4Å; W62-M125 HydrophobicContact CZ3-CE 4.25Å; W62-M125 HydrophobicContact CZ3-CG 3.67Å; W62-M125 HydrophobicContact CZ3-SD 3.91Å; Y121-M125 WeakPolarHBondContact O-CB 3.38Å; Y121-M125 PolarHBondContact O-N 3.19Å; Q122-M125 PolarHBondContact O-N 3.37Å; L123-M125 VanDerWaalsContact C-N 3.28Å; L123-M125 PolarHBondContact O-N 3.01Å; M125-L127 VanDerWaalsContact C-N 3.32Å; M125-L127 PolarHBondContact O-N 2.85Å; M125-L128 PolarHBondContact O-N 2.77Å; M125-I129 HydrophobicContact CG-CD1 3.94Å; M125-I129 WeakPolarHBondContact O-CD1 3.38Å; M125-I129 VanDerWaalsContact O-CG1 3.3Å; M125-I129 WeakPolarHBondContact O-CG1 3.26Å; M125-I129 PolarHBondContact O-N 2.85Å; M125-I129 HydrophobicContact SD-CD1 4.44Å; M125-F253 HydrophobicContact CB-CE1 3.9Å; M125-F253 HydrophobicContact CB-CZ 3.93Å; M125-F253 HydrophobicContact CE-CE1 4.26Å; M125-F253 HydrophobicContact CE-CE2 4.08Å; M125-F253 HydrophobicContact CE-CZ 3.82Å; M125-F253 HydrophobicContact CG-CE1 4.05Å; M125-F253 HydrophobicContact CG-CZ 4.3Å |
| 126 | L | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -54.2 | -49.1 | 174.3 | 172.9 | 64.8 | 0 | 0 | 0 | 111.1 | C107 Q122 L123 L128 I129 L130 V142 Y180 | C107-L126 HydrophobicContact CB-CD2 3.71Å; Q122-L126 PolarHBondContact O-N 2.86Å; L123-L126 HydrophobicContact CD1-CD2 4.36Å; L123-L126 WeakPolarHBondContact O-CB 3.48Å; L123-L126 PolarHBondContact O-N 3.15Å; L126-L128 VanDerWaalsContact C-N 3.33Å; L126-L128 PolarHBondContact O-N 2.48Å; L126-I129 WeakPolarHBondContact O-CB 3.47Å; L126-I129 PolarHBondContact O-N 3.08Å; L126-I129 VanDerWaalsContact O-N 3.1Å; L126-L130 HydrophobicContact CD1-CG 4.39Å; L126-L130 HydrophobicContact CG-CD1 4.43Å; L126-L130 WeakPolarHBondContact O-CG 3.41Å; L126-L130 PolarHBondContact O-N 3.39Å; L126-V142 HydrophobicContact CD2-CG1 4.27Å; L126-Y180 HydrophobicContact CB-CD1 4.38Å; L126-Y180 HydrophobicContact CB-CE1 4.09Å; L126-Y180 HydrophobicContact CD1-CD1 4.26Å; L126-Y180 HydrophobicContact CD1-CD2 4.34Å; L126-Y180 HydrophobicContact CD1-CG 3.99Å |
| 127 | L | 98.7 | Very high | 97.4 | Very high | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.7 | -38.8 | 179.9 | -67.4 | 172.5 | 0 | 0 | 0 | 112.6 | I46 M50 L123 A124 M125 I129 L130 E131 M137 L158 L160 | I46-L127 HydrophobicContact CG2-CD1 3.74Å; M50-L127 HydrophobicContact CE-CB 3.55Å; M50-L127 HydrophobicContact SD-CB 3.76Å; M50-L127 HydrophobicContact SD-CD1 3.64Å; M50-L127 HydrophobicContact SD-CG 4.37Å; L123-L127 HydrophobicContact CD1-CD1 4.37Å; L123-L127 HydrophobicContact CD1-CG 4.25Å; L123-L127 HydrophobicContact CG-CD1 4.31Å; L123-L127 WeakPolarHBondContact O-CG 3.38Å; L123-L127 PolarHBondContact O-N 3.32Å; A124-L127 PolarHBondContact O-N 2.66Å; M125-L127 VanDerWaalsContact C-N 3.32Å; M125-L127 PolarHBondContact O-N 2.85Å; L127-I129 VanDerWaalsContact C-N 3.33Å; L127-L130 HydrophobicContact CD2-CD1 4.41Å; L127-L130 PolarHBondContact O-N 3.2Å; L127-E131 PolarHBondContact O-N 3.1Å; L127-M137 HydrophobicContact CD2-CE 3.91Å; L127-M137 HydrophobicContact CD2-SD 3.89Å; L127-L158 HydrophobicContact CD1-CD1 4.33Å; L127-L160 HydrophobicContact CD2-CD1 4.23Å; L127-L160 HydrophobicContact CD2-CD2 4.31Å |
| 128 | L | 98.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.5 | -36.1 | 174.2 | -72.8 | 174.6 | 0 | 0 | 0 | 112.4 | M50 L53 R54 W59 A124 M125 L126 S132 | M50-L128 HydrophobicContact CE-CD2 3.92Å; M50-L128 HydrophobicContact CE-CG 4.1Å; L53-L128 HydrophobicContact CB-CD1 3.52Å; L53-L128 HydrophobicContact CD1-CD1 4.39Å; R54-L128 HydrophobicContact CB-CD1 4.49Å; R54-L128 HydrophobicContact CB-CD2 4.14Å; R54-L128 HydrophobicContact CG-CD2 4.44Å; W59-L128 HydrophobicContact CD2-CD1 4.47Å; W59-L128 VanDerWaalsContact CH2-C 3.48Å; W59-L128 HydrophobicContact CH2-CB 3.67Å; W59-L128 WeakPolarHBondContact CH2-O 2.94Å; W59-L128 HydrophobicContact CZ2-CB 3.66Å; W59-L128 WeakPolarHBondContact CZ2-O 3.04Å; W59-L128 HydrophobicContact CZ3-CB 4.17Å; A124-L128 WeakPolarHBondContact O-CG 3.36Å; A124-L128 PolarHBondContact O-N 3.32Å; A124-L128 VanDerWaalsContact O-N 3.08Å; M125-L128 PolarHBondContact O-N 2.77Å; L126-L128 VanDerWaalsContact C-N 3.33Å; L126-L128 PolarHBondContact O-N 2.48Å; L128-S132 WeakPolarHBondContact O-CB 3.29Å; L128-S132 PolarHBondContact O-N 2.96Å |
| 129 | I | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.5 | -46.2 | 175.2 | -67.5 | 160.8 | 0 | 0 | 0 | 110.5 | W59 W62 L66 M125 L126 L127 E131 S132 L133 L178 Y180 I208 | W59-I129 HydrophobicContact CH2-CG1 3.91Å; W59-I129 HydrophobicContact CZ3-CG1 3.83Å; W62-I129 HydrophobicContact CE3-CD1 4.42Å; W62-I129 HydrophobicContact CZ3-CD1 4.42Å; L66-I129 HydrophobicContact CD1-CD1 4.38Å; L66-I129 HydrophobicContact CD1-CG1 3.83Å; L66-I129 HydrophobicContact CD1-CG2 4.1Å; M125-I129 HydrophobicContact CG-CD1 3.94Å; M125-I129 WeakPolarHBondContact O-CD1 3.38Å; M125-I129 VanDerWaalsContact O-CG1 3.3Å; M125-I129 WeakPolarHBondContact O-CG1 3.26Å; M125-I129 PolarHBondContact O-N 2.85Å; M125-I129 HydrophobicContact SD-CD1 4.44Å; L126-I129 WeakPolarHBondContact O-CB 3.47Å; L126-I129 PolarHBondContact O-N 3.08Å; L126-I129 VanDerWaalsContact O-N 3.1Å; L127-I129 VanDerWaalsContact C-N 3.33Å; I129-E131 VanDerWaalsContact C-N 3.33Å; I129-E131 PolarHBondContact O-N 2.97Å; I129-S132 PolarHBondContact O-N 3.43Å; I129-L133 HydrophobicContact CG2-CD1 3.8Å; I129-L133 HydrophobicContact CG2-CG 4.36Å; I129-L133 WeakPolarHBondContact O-CB 3.46Å; I129-L133 WeakPolarHBondContact O-CG 3.44Å; I129-L133 PolarHBondContact O-N 3.21Å; I129-L178 HydrophobicContact CG2-CD2 3.67Å; I129-Y180 HydrophobicContact CD1-CD2 4.18Å; I129-Y180 HydrophobicContact CD1-CE2 3.8Å; I129-I208 HydrophobicContact CD1-CD1 3.73Å; I129-I208 HydrophobicContact CG2-CD1 4.28Å |
| 130 | L | 98 | Very high | 97.5 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.3 | -46.2 | 176.4 | -62.4 | 176.9 | 0 | 0 | 0 | 111.2 | C105 L126 L127 L133 Q134 I135 M137 C140 L160 | C105-L130 HydrophobicContact CB-CD2 3.63Å; L126-L130 HydrophobicContact CD1-CG 4.39Å; L126-L130 HydrophobicContact CG-CD1 4.43Å; L126-L130 WeakPolarHBondContact O-CG 3.41Å; L126-L130 PolarHBondContact O-N 3.39Å; L127-L130 HydrophobicContact CD2-CD1 4.41Å; L127-L130 PolarHBondContact O-N 3.2Å; L130-L133 PolarHBondContact O-N 2.96Å; L130-Q134 WeakPolarHBondContact O-CA 3.37Å; L130-Q134 PolarHBondContact O-N 2.86Å; L130-I135 HydrophobicContact CD2-CB 3.86Å; L130-I135 HydrophobicContact CD2-CD1 4.04Å; L130-I135 HydrophobicContact CD2-CG2 3.85Å; L130-I135 PolarHBondContact O-N 3.3Å; L130-M137 HydrophobicContact CB-SD 4.34Å; L130-M137 HydrophobicContact CD1-SD 3.59Å; L130-M137 VanDerWaalsContact CD1-SD 3.59Å; L130-C140 HydrophobicContact CD1-CB 3.63Å; L130-C140 HydrophobicContact CD2-CB 3.9Å; L130-C140 HydrophobicContact CG-CB 4.44Å; L130-L160 HydrophobicContact CD1-CD2 3.78Å |
| 131 | E | 96.4 | Very high | 97.5 | Very high | 103 Ų | 103 | 34.1 Ų | 34.1 | 48% | 0.481 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59.9 | -48.2 | 176 | -177.1 | -174.7 | 172.5 | 0 | 0 | 111.7 | R54 L127 I129 L133 Q134 | R54-E131 IonicContact CZ-OE2 2.99Å; R54-E131 IonicContact NE-OE2 3.7Å; R54-E131 IonicContact NH2-OE1 2.66Å; R54-E131 PolarHBondContact NH2-OE1 3.39Å; R54-E131 IonicContact NH2-OE2 2.94Å; R54-E131 PolarHBondContact NH2-OE2 2.92Å; L127-E131 PolarHBondContact O-N 3.1Å; I129-E131 VanDerWaalsContact C-N 3.33Å; I129-E131 PolarHBondContact O-N 2.97Å; E131-L133 VanDerWaalsContact C-N 3.34Å; E131-L133 PolarHBondContact O-N 3.09Å; E131-Q134 PolarHBondContact O-N 2.83Å |
| 132 | S | 95.7 | Very high | 97.5 | Very high | 30 Ų | 30 | 32.6 Ų | 32.6 | 21% | 0.21 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.2 | -37.5 | -178.1 | -179.1 | 0 | 0 | 0 | 0 | 113.2 | R63 L128 I129 Q134 | R63-S132 WeakPolarHBondContact CG-OG 3.24Å; L128-S132 WeakPolarHBondContact O-CB 3.29Å; L128-S132 PolarHBondContact O-N 2.96Å; I129-S132 PolarHBondContact O-N 3.43Å; S132-Q134 VanDerWaalsContact C-N 3.28Å |
| 133 | L | 95.5 | Very high | 97.5 | Very high | 29 Ų | 29 | 33.7 Ų | 33.7 | 15% | 0.152 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -88.7 | 0.6 | -179.9 | -64.1 | -178 | 0 | 0 | 0 | 112.4 | L66 A70 L103 I129 L130 E131 I135 L178 | L66-L133 HydrophobicContact CB-CD1 4.48Å; L66-L133 HydrophobicContact CB-CD2 4.08Å; A70-L133 HydrophobicContact CB-CD2 3.99Å; L103-L133 HydrophobicContact CD2-CD1 4.14Å; I129-L133 HydrophobicContact CG2-CD1 3.8Å; I129-L133 HydrophobicContact CG2-CG 4.36Å; I129-L133 WeakPolarHBondContact O-CB 3.46Å; I129-L133 WeakPolarHBondContact O-CG 3.44Å; I129-L133 PolarHBondContact O-N 3.21Å; L130-L133 PolarHBondContact O-N 2.96Å; E131-L133 VanDerWaalsContact C-N 3.34Å; E131-L133 PolarHBondContact O-N 3.09Å; L133-I135 HydrophobicContact CB-CD1 3.93Å; L133-I135 HydrophobicContact CB-CG1 3.87Å; L133-I135 HydrophobicContact CD1-CD1 4.15Å; L133-I135 PolarHBondContact O-N 3.19Å; L133-L178 HydrophobicContact CD1-CD2 3.97Å |
| 134 | Q | 95 | Very high | 97.5 | Very high | 172 Ų | 172 | 34.5 Ų | 34.5 | 80% | 0.804 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55 | 35.2 | -178.3 | -55.6 | 173.8 | 27 | 0 | 0 | 112.3 | L130 E131 S132 P136 | L130-Q134 WeakPolarHBondContact O-CA 3.37Å; L130-Q134 PolarHBondContact O-N 2.86Å; E131-Q134 PolarHBondContact O-N 2.83Å; S132-Q134 VanDerWaalsContact C-N 3.28Å; Q134-P136 WeakPolarHBondContact O-CD 3.2Å |
| 135 | I | 95.7 | Very high | 97.3 | Very high | 9 Ų | 9 | 37.2 Ų | 37.2 | 5% | 0.046 | 19% | 0.185 | C | C | . | . | trans | -80.5 | 120.3 | 174.8 | -59.8 | 171.5 | 0 | 0 | 0 | 107.4 | L103 C105 L130 L133 W139 L178 | L103-I135 HydrophobicContact CB-CD1 4.49Å; L103-I135 HydrophobicContact CB-CG1 4.28Å; L103-I135 HydrophobicContact CD2-CD1 3.66Å; L103-I135 HydrophobicContact CD2-CG1 4.06Å; L103-I135 HydrophobicContact CG-CD1 3.78Å; L103-I135 HydrophobicContact CG-CG1 4.11Å; L103-I135 WeakPolarHBondContact O-CG2 3.41Å; C105-I135 HydrophobicContact CB-CD1 4.24Å; C105-I135 HydrophobicContact CB-CG2 4.3Å; L130-I135 HydrophobicContact CD2-CB 3.86Å; L130-I135 HydrophobicContact CD2-CD1 4.04Å; L130-I135 HydrophobicContact CD2-CG2 3.85Å; L130-I135 PolarHBondContact O-N 3.3Å; L133-I135 HydrophobicContact CB-CD1 3.93Å; L133-I135 HydrophobicContact CB-CG1 3.87Å; L133-I135 HydrophobicContact CD1-CD1 4.15Å; L133-I135 PolarHBondContact O-N 3.19Å; I135-W139 HydrophobicContact CG2-CB 4.4Å; I135-L178 HydrophobicContact CD1-CD2 4.28Å | ||
| 136 | P | 96.6 | Very high | 97.1 | Very high | 43 Ų | 43 | 40.9 Ų | 40.9 | 28% | 0.279 | 21% | 0.207 | S | C | . | . | trans | -57.6 | 139.3 | 174.8 | -22.7 | 33.8 | 0 | 0 | 0 | 111.3 | Q134 E138 W139 | Q134-P136 WeakPolarHBondContact O-CD 3.2Å; P136-E138 HydrophobicContact CB-CG 4.1Å; P136-E138 WeakPolarHBondContact CB-OE2 3.42Å; P136-E138 PolarHBondContact O-N 3.02Å; P136-W139 HydrophobicContact CB-CG 4.41Å; P136-W139 HydrophobicContact CG-CD2 4.22Å; P136-W139 HydrophobicContact CG-CE3 4.25Å; P136-W139 HydrophobicContact CG-CZ3 4.43Å; P136-W139 WeakPolarHBondContact O-CB 3.41Å; P136-W139 PolarHBondContact O-N 3.33Å | ||
| 137 | M | 96.8 | Very high | 97 | Very high | 56 Ų | 56 | 41.6 Ų | 41.6 | 28% | 0.276 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -59.2 | -36.4 | -175.3 | -67.2 | -65.6 | -178.8 | 0 | 0 | 111.8 | L127 L130 W139 C140 G159 L160 | L127-M137 HydrophobicContact CD2-CE 3.91Å; L127-M137 HydrophobicContact CD2-SD 3.89Å; L130-M137 HydrophobicContact CB-SD 4.34Å; L130-M137 HydrophobicContact CD1-SD 3.59Å; L130-M137 VanDerWaalsContact CD1-SD 3.59Å; M137-W139 PolarHBondContact O-N 2.86Å; M137-W139 VanDerWaalsContact O-N 3.13Å; M137-C140 WeakPolarHBondContact O-CB 3.41Å; M137-C140 PolarHBondContact O-N 2.92Å; M137-G159 CarbonylContact C-O 3.6Å; M137-G159 WeakPolarHBondContact CB-O 3.33Å; M137-L160 HydrophobicContact CB-CD2 4.44Å; M137-L160 HydrophobicContact SD-CD2 3.93Å |
| 138 | E | 96.6 | Very high | 96.9 | Very high | 123 Ų | 123 | 43.3 Ų | 43.3 | 58% | 0.575 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -63.6 | -16.8 | 178.4 | 62 | -93.8 | -144.6 | 0 | 0 | 113.7 | P136 G159 | P136-E138 HydrophobicContact CB-CG 4.1Å; P136-E138 WeakPolarHBondContact CB-OE2 3.42Å; P136-E138 PolarHBondContact O-N 3.02Å; E138-G159 WeakPolarHBondContact CA-O 3.36Å; E138-G159 PolarHBondContact N-O 3.39Å |
| 139 | W | 97.2 | Very high | 96.8 | Very high | 90 Ų | 90 | 48 Ų | 48 | 34% | 0.341 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -99.8 | 1.9 | 176.3 | -65.8 | 6.3 | 0 | 0 | 0 | 113.2 | P102 E104 C105 I135 P136 M137 | P102-W139 HydrophobicContact CB-CE3 4.47Å; P102-W139 HydrophobicContact CB-CH2 3.38Å; P102-W139 HydrophobicContact CB-CZ3 3.22Å; P102-W139 HydrophobicContact CG-CE3 4.39Å; P102-W139 HydrophobicContact CG-CH2 3.11Å; P102-W139 HydrophobicContact CG-CZ2 4.19Å; P102-W139 HydrophobicContact CG-CZ3 3.25Å; E104-W139 HydrophobicContact CG-CE3 4.43Å; C105-W139 PolarHBondContact N-O 3.07Å; C105-W139 VanDerWaalsContact N-O 3.08Å; C105-W139 VanDerWaalsContact O-O 3.13Å; I135-W139 HydrophobicContact CG2-CB 4.4Å; P136-W139 HydrophobicContact CB-CG 4.41Å; P136-W139 HydrophobicContact CG-CD2 4.22Å; P136-W139 HydrophobicContact CG-CE3 4.25Å; P136-W139 HydrophobicContact CG-CZ3 4.43Å; P136-W139 WeakPolarHBondContact O-CB 3.41Å; P136-W139 PolarHBondContact O-N 3.33Å; M137-W139 PolarHBondContact O-N 2.86Å; M137-W139 VanDerWaalsContact O-N 3.13Å |
| 140 | C | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 108.7 | 166.3 | -173 | 0 | 0 | 0 | 0 | 109.3 | C105 L130 M137 L160 N161 | C105-C140 HydrophobicContact CB-CB 4.09Å; C105-C140 CarbonylContact O-C 3.5Å; C105-C140 VanDerWaalsContact O-CA 3.31Å; C105-C140 WeakPolarHBondContact O-CA 3.47Å; L130-C140 HydrophobicContact CD1-CB 3.63Å; L130-C140 HydrophobicContact CD2-CB 3.9Å; L130-C140 HydrophobicContact CG-CB 4.44Å; M137-C140 WeakPolarHBondContact O-CB 3.41Å; M137-C140 PolarHBondContact O-N 2.92Å; C140-L160 HydrophobicContact CB-CD2 3.66Å; C140-N161 PolarHBondContact O-N 2.82Å |
| 141 | S | 98.6 | Very high | 96.7 | Very high | 13 Ų | 13 | 48.5 Ų | 48.5 | 9% | 0.091 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 132.9 | 170.4 | -65.2 | 0 | 0 | 0 | 0 | 110.4 | C105 V106 C107 N161 R171 | C105-S141 PolarHBondContact O-N 2.55Å; V106-S141 CarbonylContact C-O 3.56Å; V106-S141 VanDerWaalsContact CA-O 3.3Å; V106-S141 WeakPolarHBondContact CA-O 3.44Å; C107-S141 PolarHBondContact N-O 3.05Å; S141-N161 CarbonylContact C-O 3.6Å; S141-N161 VanDerWaalsContact CA-O 3.25Å; S141-N161 WeakPolarHBondContact CA-O 3.5Å; S141-N161 PolarHBondContact OG-ND2 3.43Å; S141-N161 VanDerWaalsContact OG-ND2 3.17Å; S141-R171 PolarHBondContact OG-NH1 3.25Å |
| 142 | V | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 138.8 | 179.4 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | C107 L126 F147 L155 L160 N161 V162 L163 | C107-V142 HydrophobicContact CB-CB 4.33Å; C107-V142 HydrophobicContact CB-CG1 3.88Å; C107-V142 CarbonylContact O-C 3.5Å; C107-V142 WeakPolarHBondContact O-CA 3.23Å; L126-V142 HydrophobicContact CD2-CG1 4.27Å; V142-F147 HydrophobicContact CG2-CE2 4.39Å; V142-L155 HydrophobicContact CG2-CB 4.44Å; V142-L155 HydrophobicContact CG2-CD1 3.86Å; V142-L155 HydrophobicContact CG2-CD2 4.38Å; V142-L155 HydrophobicContact CG2-CG 4.45Å; V142-L160 HydrophobicContact CG1-CB 4.36Å; V142-L160 HydrophobicContact CG1-CD1 4.11Å; V142-L160 HydrophobicContact CG2-CB 4.32Å; V142-N161 PolarHBondContact N-O 3.48Å; V142-V162 HydrophobicContact CG2-CB 4.45Å; V142-V162 HydrophobicContact CG2-CG2 3.99Å; V142-L163 PolarHBondContact O-N 2.93Å |
| 143 | Y | 98.4 | Very high | 96.9 | Very high | 33 Ų | 33 | 48.6 Ų | 48.6 | 13% | 0.129 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 132 | 175.3 | -177.1 | -98.2 | 0 | 0 | 0 | 112.2 | C107 Y108 G109 P145 L163 E165 N166 | C107-Y143 PolarHBondContact O-N 2.97Å; Y108-Y143 CarbonylContact C-O 3.6Å; Y108-Y143 WeakPolarHBondContact CA-O 3.4Å; Y108-Y143 HydrophobicContact CD1-CD1 4.35Å; G109-Y143 PolarHBondContact N-O 2.92Å; Y143-P145 HydrophobicContact CE1-CB 4.47Å; Y143-L163 HydrophobicContact CD2-CB 4Å; Y143-L163 WeakPolarHBondContact CD2-O 3.34Å; Y143-L163 HydrophobicContact CG-CB 4.4Å; Y143-E165 WeakPolarHBondContact CE2-O 3.49Å; Y143-N166 HydrophobicContact CE1-CB 3.99Å; Y143-N166 VanDerWaalsContact CZ-CA 3.5Å; Y143-N166 VanDerWaalsContact OH-CB 3.24Å; Y143-N166 WeakPolarHBondContact OH-CB 3.35Å |
| 144 | D | 97.8 | Very high | 97.1 | Very high | 16 Ų | 16 | 47.2 Ų | 47.2 | 9% | 0.086 | 25% | 0.251 | C | S | . | . | trans | -145.7 | 129.7 | 162.7 | -165.2 | -53.5 | 0 | 0 | 0 | 108.2 | G109 L110 G111 V146 F147 | G109-D144 WeakPolarHBondContact CA-OD2 3.49Å; L110-D144 PolarHBondContact N-OD2 3.08Å; G111-D144 WeakPolarHBondContact CA-OD2 3.28Å; G111-D144 PolarHBondContact N-OD2 2.94Å; D144-V146 HydrophobicContact CB-CG2 4.47Å; D144-V146 PolarHBondContact O-N 3.37Å; D144-V146 VanDerWaalsContact O-N 3.11Å; D144-V146 WeakPolarHBondContact OD1-CB 3.14Å; D144-V146 WeakPolarHBondContact OD1-CG2 3.45Å; D144-V146 PolarHBondContact OD1-N 3.37Å; D144-F147 HydrophobicContact CB-CD1 3.77Å; D144-F147 HydrophobicContact CB-CD2 3.95Å; D144-F147 HydrophobicContact CB-CE1 3.54Å; D144-F147 HydrophobicContact CB-CE2 3.75Å; D144-F147 HydrophobicContact CB-CG 3.96Å; D144-F147 HydrophobicContact CB-CZ 3.53Å; D144-F147 VanDerWaalsContact N-CE2 3.26Å; D144-F147 WeakPolarHBondContact O-CD2 3.25Å; D144-F147 PolarHBondContact O-N 3.06Å | ||
| 145 | P | 95.1 | Very high | 97.2 | Very high | 58 Ų | 58 | 39 Ų | 39 | 38% | 0.377 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -17.5 | 176.7 | 26.7 | -37.3 | 0 | 0 | 0 | 113.9 | Y143 I291 | Y143-P145 HydrophobicContact CE1-CB 4.47Å; P145-I291 HydrophobicContact CB-CB 4.45Å; P145-I291 HydrophobicContact CB-CD1 3.84Å; P145-I291 HydrophobicContact CB-CG2 4.36Å; P145-I291 HydrophobicContact CG-CB 4.13Å; P145-I291 HydrophobicContact CG-CD1 3.44Å; P145-I291 VanDerWaalsContact CG-CD1 3.44Å; P145-I291 HydrophobicContact CG-CG1 4.28Å |
| 146 | V | 95.3 | Very high | 97.4 | Very high | 77 Ų | 77 | 44 Ų | 44 | 47% | 0.467 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -2.9 | -179 | -49.8 | 0 | 0 | 0 | 0 | 113.9 | D144 S148 | D144-V146 HydrophobicContact CB-CG2 4.47Å; D144-V146 PolarHBondContact O-N 3.37Å; D144-V146 VanDerWaalsContact O-N 3.11Å; D144-V146 WeakPolarHBondContact OD1-CB 3.14Å; D144-V146 WeakPolarHBondContact OD1-CG2 3.45Å; D144-V146 PolarHBondContact OD1-N 3.37Å; V146-S148 PolarHBondContact O-N 3.25Å |
| 147 | F | 96.8 | Very high | 97.4 | Very high | 15 Ų | 15 | 46.1 Ų | 46.1 | 7% | 0.066 | 24% | 0.237 | C | C | . | . | trans | -60.6 | 129 | 178.5 | -70.3 | -27.7 | 0 | 0 | 0 | 111.4 | L110 G111 F113 V142 D144 M152 L155 | L110-F147 HydrophobicContact CB-CE1 3.96Å; L110-F147 HydrophobicContact CB-CZ 3.83Å; L110-F147 HydrophobicContact CD2-CE1 4.01Å; L110-F147 HydrophobicContact CD2-CZ 3.87Å; L110-F147 HydrophobicContact CG-CE1 4.47Å; L110-F147 HydrophobicContact CG-CZ 4.48Å; G111-F147 WeakPolarHBondContact O-CE1 3.31Å; F113-F147 HydrophobicContact CD1-CE1 4.1Å; F113-F147 HydrophobicContact CE1-CD1 4.22Å; F113-F147 AromaticContact CE1-CE1 3.97Å; F113-F147 HydrophobicContact CE1-CE1 3.97Å; V142-F147 HydrophobicContact CG2-CE2 4.39Å; D144-F147 HydrophobicContact CB-CD1 3.77Å; D144-F147 HydrophobicContact CB-CD2 3.95Å; D144-F147 HydrophobicContact CB-CE1 3.54Å; D144-F147 HydrophobicContact CB-CE2 3.75Å; D144-F147 HydrophobicContact CB-CG 3.96Å; D144-F147 HydrophobicContact CB-CZ 3.53Å; D144-F147 VanDerWaalsContact N-CE2 3.26Å; D144-F147 WeakPolarHBondContact O-CD2 3.25Å; D144-F147 PolarHBondContact O-N 3.06Å; F147-M152 HydrophobicContact CB-CE 4.28Å; F147-M152 HydrophobicContact CB-CG 3.97Å; F147-M152 WeakPolarHBondContact O-CE 3.46Å; F147-L155 HydrophobicContact CD2-CD1 3.93Å; F147-L155 HydrophobicContact CE1-CD1 4.26Å; F147-L155 HydrophobicContact CE2-CD1 3.59Å; F147-L155 HydrophobicContact CG-CD1 4.41Å; F147-L155 HydrophobicContact CZ-CD1 3.78Å | ||
| 148 | S | 96.3 | Very high | 97.5 | Very high | 40 Ų | 40 | 45.7 Ų | 45.7 | 28% | 0.28 | 24% | 0.236 | S | C | . | . | trans | -75 | 160.9 | 167.2 | 62.4 | 0 | 0 | 0 | 0 | 111.5 | V146 G150 E151 M152 | V146-S148 PolarHBondContact O-N 3.25Å; S148-G150 PolarHBondContact O-N 2.84Å; S148-E151 PolarHBondContact N-OE2 3.49Å; S148-E151 PolarHBondContact O-N 2.79Å; S148-E151 VanDerWaalsContact O-N 3.13Å; S148-E151 WeakPolarHBondContact OG-CB 3.3Å; S148-E151 VanDerWaalsContact OG-CG 3.28Å; S148-E151 WeakPolarHBondContact OG-CG 3.46Å; S148-E151 PolarHBondContact OG-N 2.92Å; S148-E151 PolarHBondContact OG-OE2 2.99Å; S148-M152 WeakPolarHBondContact O-CG 3.24Å; S148-M152 PolarHBondContact O-N 3.44Å | ||
| 149 | S | 96.1 | Very high | 97.6 | Very high | 99 Ų | 99 | 41.4 Ų | 41.4 | 69% | 0.692 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -56.7 | -38.5 | 175.8 | 54.2 | 0 | 0 | 0 | 0 | 112.8 | M152 E153 | S149-M152 PolarHBondContact O-N 3.37Å; S149-E153 PolarHBondContact O-N 3.26Å |
| 150 | G | 96.8 | Very high | 97.6 | Very high | 12 Ų | 12 | 37.5 Ų | 37.5 | 12% | 0.124 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.6 | -34.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | S148 E153 V154 | S148-G150 PolarHBondContact O-N 2.84Å; G150-E153 PolarHBondContact O-N 2.88Å; G150-V154 WeakPolarHBondContact O-CG2 3.44Å; G150-V154 PolarHBondContact O-N 2.87Å |
| 151 | E | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.2 | -43 | 172 | -76.9 | 167.5 | 148.9 | 0 | 0 | 111.7 | S112 F113 S114 S148 E153 V154 L155 | S112-E151 WeakPolarHBondContact CA-OE1 3.14Å; S112-E151 WeakPolarHBondContact CB-OE1 3.37Å; S112-E151 PolarHBondContact OG-OE1 3.5Å; S112-E151 PolarHBondContact OG-OE2 3.26Å; F113-E151 HydrophobicContact CD1-CG 4.38Å; F113-E151 HydrophobicContact CD2-CG 4.34Å; F113-E151 HydrophobicContact CE1-CB 3.66Å; F113-E151 HydrophobicContact CE1-CG 3.85Å; F113-E151 HydrophobicContact CE2-CB 4.16Å; F113-E151 HydrophobicContact CE2-CG 3.82Å; F113-E151 HydrophobicContact CZ-CB 3.41Å; F113-E151 VanDerWaalsContact CZ-CB 3.41Å; F113-E151 HydrophobicContact CZ-CG 3.56Å; F113-E151 WeakPolarHBondContact CZ-O 3.33Å; F113-E151 PolarHBondContact N-OE1 3.25Å; S114-E151 VanDerWaalsContact CB-OE1 3.27Å; S114-E151 WeakPolarHBondContact CB-OE1 3.27Å; S114-E151 PolarHBondContact N-OE1 3.22Å; S114-E151 PolarHBondContact OG-OE1 3.38Å; S148-E151 PolarHBondContact N-OE2 3.49Å; S148-E151 PolarHBondContact O-N 2.79Å; S148-E151 VanDerWaalsContact O-N 3.13Å; S148-E151 WeakPolarHBondContact OG-CB 3.3Å; S148-E151 VanDerWaalsContact OG-CG 3.28Å; S148-E151 WeakPolarHBondContact OG-CG 3.46Å; S148-E151 PolarHBondContact OG-N 2.92Å; S148-E151 PolarHBondContact OG-OE2 2.99Å; E151-E153 PolarHBondContact O-N 3.45Å; E151-V154 PolarHBondContact O-N 3.3Å; E151-L155 WeakPolarHBondContact O-CG 3.4Å; E151-L155 PolarHBondContact O-N 3.3Å |
| 152 | M | 98 | Very high | 97.6 | Very high | 57 Ų | 57 | 40.9 Ų | 40.9 | 28% | 0.281 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.2 | -39.5 | 173.4 | -62.1 | 179.9 | -138.3 | 0 | 0 | 111.5 | F147 S148 S149 L155 R156 V162 | F147-M152 HydrophobicContact CB-CE 4.28Å; F147-M152 HydrophobicContact CB-CG 3.97Å; F147-M152 WeakPolarHBondContact O-CE 3.46Å; S148-M152 WeakPolarHBondContact O-CG 3.24Å; S148-M152 PolarHBondContact O-N 3.44Å; S149-M152 PolarHBondContact O-N 3.37Å; M152-L155 PolarHBondContact O-N 3.12Å; M152-R156 WeakPolarHBondContact O-CG 3.46Å; M152-R156 PolarHBondContact O-N 3.41Å; M152-V162 HydrophobicContact CB-CG1 4.2Å; M152-V162 HydrophobicContact CG-CG1 3.96Å |
| 153 | E | 97.9 | Very high | 97.6 | Very high | 78 Ų | 78 | 42 Ų | 42 | 36% | 0.364 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.2 | -45.5 | 175.4 | -178.9 | 55.8 | -154.8 | 0 | 0 | 112 | S149 G150 E151 L155 R156 Q157 | S149-E153 PolarHBondContact O-N 3.26Å; G150-E153 PolarHBondContact O-N 2.88Å; E151-E153 PolarHBondContact O-N 3.45Å; E153-L155 VanDerWaalsContact C-N 3.33Å; E153-L155 PolarHBondContact O-N 3.46Å; E153-R156 PolarHBondContact O-N 2.92Å; E153-Q157 WeakPolarHBondContact O-CG 3.27Å; E153-Q157 PolarHBondContact O-N 3.44Å; E153-Q157 PolarHBondContact OE1-NE2 3.16Å |
| 154 | V | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.9 | -45.7 | 174.5 | 169.5 | 0 | 0 | 0 | 0 | 111.3 | T39 T42 K43 I46 F113 G150 E151 R156 Q157 L158 | T39-V154 HydrophobicContact CG2-CG2 3.84Å; T42-V154 HydrophobicContact CG2-CG1 4.34Å; T42-V154 HydrophobicContact CG2-CG2 4.34Å; K43-V154 HydrophobicContact CG-CG1 3.87Å; I46-V154 HydrophobicContact CD1-CG1 3.96Å; F113-V154 HydrophobicContact CE2-CB 4.25Å; F113-V154 HydrophobicContact CE2-CG1 3.96Å; F113-V154 HydrophobicContact CZ-CB 4.37Å; F113-V154 HydrophobicContact CZ-CG1 4.35Å; G150-V154 WeakPolarHBondContact O-CG2 3.44Å; G150-V154 PolarHBondContact O-N 2.87Å; E151-V154 PolarHBondContact O-N 3.3Å; V154-R156 PolarHBondContact O-N 3.42Å; V154-Q157 PolarHBondContact O-N 2.79Å; V154-L158 HydrophobicContact CG1-CD1 3.95Å; V154-L158 HydrophobicContact CG1-CG 4.48Å; V154-L158 VanDerWaalsContact O-CG 3.3Å; V154-L158 WeakPolarHBondContact O-CG 3.36Å; V154-L158 PolarHBondContact O-N 3.44Å |
| 155 | L | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.4 | -42 | 178.9 | -68.1 | 166 | 0 | 0 | 0 | 111.8 | F113 L123 V142 F147 E151 M152 E153 L158 G159 L160 V162 | F113-L155 HydrophobicContact CE1-CD1 3.85Å; F113-L155 HydrophobicContact CE1-CD2 3.95Å; F113-L155 HydrophobicContact CE1-CG 3.86Å; F113-L155 HydrophobicContact CZ-CD1 4.2Å; F113-L155 HydrophobicContact CZ-CD2 4.06Å; F113-L155 HydrophobicContact CZ-CG 3.79Å; L123-L155 HydrophobicContact CD1-CD2 3.97Å; L123-L155 HydrophobicContact CD2-CD2 4.01Å; V142-L155 HydrophobicContact CG2-CB 4.44Å; V142-L155 HydrophobicContact CG2-CD1 3.86Å; V142-L155 HydrophobicContact CG2-CD2 4.38Å; V142-L155 HydrophobicContact CG2-CG 4.45Å; F147-L155 HydrophobicContact CD2-CD1 3.93Å; F147-L155 HydrophobicContact CE1-CD1 4.26Å; F147-L155 HydrophobicContact CE2-CD1 3.59Å; F147-L155 HydrophobicContact CG-CD1 4.41Å; F147-L155 HydrophobicContact CZ-CD1 3.78Å; E151-L155 WeakPolarHBondContact O-CG 3.4Å; E151-L155 PolarHBondContact O-N 3.3Å; M152-L155 PolarHBondContact O-N 3.12Å; E153-L155 VanDerWaalsContact C-N 3.33Å; E153-L155 PolarHBondContact O-N 3.46Å; L155-L158 WeakPolarHBondContact O-CB 3.25Å; L155-L158 PolarHBondContact O-N 3.37Å; L155-G159 PolarHBondContact O-N 2.88Å; L155-L160 HydrophobicContact CB-CD1 4.48Å; L155-L160 HydrophobicContact CD2-CD1 3.62Å; L155-L160 WeakPolarHBondContact O-CB 3.49Å; L155-L160 PolarHBondContact O-N 3.1Å; L155-V162 HydrophobicContact CB-CG2 3.52Å; L155-V162 HydrophobicContact CD1-CG2 4.1Å; L155-V162 HydrophobicContact CG-CG2 4.48Å |
| 156 | R | 98.3 | Very high | 97.2 | Very high | 115 Ų | 115 | 50 Ų | 50 | 43% | 0.434 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 175 | -70.7 | -179 | -167.8 | 109.1 | 5.5 | 112.3 | M152 E153 V154 L158 G159 V162 | M152-R156 WeakPolarHBondContact O-CG 3.46Å; M152-R156 PolarHBondContact O-N 3.41Å; E153-R156 PolarHBondContact O-N 2.92Å; V154-R156 PolarHBondContact O-N 3.42Å; R156-L158 PolarHBondContact O-N 3.07Å; R156-G159 WeakPolarHBondContact O-CA 3.32Å; R156-G159 PolarHBondContact O-N 2.65Å; R156-V162 HydrophobicContact CG-CG2 3.9Å |
| 157 | Q | 98 | Very high | 97.3 | Very high | 86 Ų | 86 | 48.1 Ų | 48.1 | 40% | 0.402 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.5 | -27.1 | 175.5 | -71.5 | 179.7 | 15 | 0 | 0 | 112.9 | E153 V154 G159 | E153-Q157 WeakPolarHBondContact O-CG 3.27Å; E153-Q157 PolarHBondContact O-N 3.44Å; E153-Q157 PolarHBondContact OE1-NE2 3.16Å; V154-Q157 PolarHBondContact O-N 2.79Å; Q157-G159 PolarHBondContact O-N 2.97Å |
| 158 | L | 98 | Very high | 97.3 | Very high | 47 Ų | 47 | 48 Ų | 48 | 25% | 0.246 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -5 | 171.1 | -66.9 | 167.6 | 0 | 0 | 0 | 112.9 | I46 L127 V154 L155 R156 | I46-L158 HydrophobicContact CD1-CD1 4.21Å; L127-L158 HydrophobicContact CD1-CD1 4.33Å; V154-L158 HydrophobicContact CG1-CD1 3.95Å; V154-L158 HydrophobicContact CG1-CG 4.48Å; V154-L158 VanDerWaalsContact O-CG 3.3Å; V154-L158 WeakPolarHBondContact O-CG 3.36Å; V154-L158 PolarHBondContact O-N 3.44Å; L155-L158 WeakPolarHBondContact O-CB 3.25Å; L155-L158 PolarHBondContact O-N 3.37Å; R156-L158 PolarHBondContact O-N 3.07Å |
| 159 | G | 98.2 | Very high | 97.3 | Very high | 34 Ų | 34 | 46.1 Ų | 46.1 | 35% | 0.351 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | 4.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | M137 E138 L155 R156 Q157 | M137-G159 CarbonylContact C-O 3.6Å; M137-G159 WeakPolarHBondContact CB-O 3.33Å; E138-G159 WeakPolarHBondContact CA-O 3.36Å; E138-G159 PolarHBondContact N-O 3.39Å; L155-G159 PolarHBondContact O-N 2.88Å; R156-G159 WeakPolarHBondContact O-CA 3.32Å; R156-G159 PolarHBondContact O-N 2.65Å; Q157-G159 PolarHBondContact O-N 2.97Å |
| 160 | L | 98.6 | Very high | 97.4 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | trans | -79.5 | 147.2 | -178.8 | -57.8 | 171.5 | 0 | 0 | 0 | 111.5 | L123 L127 L130 M137 C140 V142 L155 V162 | L123-L160 HydrophobicContact CD1-CD1 4.25Å; L127-L160 HydrophobicContact CD2-CD1 4.23Å; L127-L160 HydrophobicContact CD2-CD2 4.31Å; L130-L160 HydrophobicContact CD1-CD2 3.78Å; M137-L160 HydrophobicContact CB-CD2 4.44Å; M137-L160 HydrophobicContact SD-CD2 3.93Å; C140-L160 HydrophobicContact CB-CD2 3.66Å; V142-L160 HydrophobicContact CG1-CB 4.36Å; V142-L160 HydrophobicContact CG1-CD1 4.11Å; V142-L160 HydrophobicContact CG2-CB 4.32Å; L155-L160 HydrophobicContact CB-CD1 4.48Å; L155-L160 HydrophobicContact CD2-CD1 3.62Å; L155-L160 WeakPolarHBondContact O-CB 3.49Å; L155-L160 PolarHBondContact O-N 3.1Å; L160-V162 PolarHBondContact O-N 3.03Å | ||
| 161 | N | 98.3 | Very high | 97.4 | Very high | 74 Ų | 74 | 45.5 Ų | 45.5 | 40% | 0.396 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 103.4 | 174.3 | -179.8 | 46.6 | 0 | 0 | 0 | 110.9 | C140 S141 V142 L163 | C140-N161 PolarHBondContact O-N 2.82Å; S141-N161 CarbonylContact C-O 3.6Å; S141-N161 VanDerWaalsContact CA-O 3.25Å; S141-N161 WeakPolarHBondContact CA-O 3.5Å; S141-N161 PolarHBondContact OG-ND2 3.43Å; S141-N161 VanDerWaalsContact OG-ND2 3.17Å; V142-N161 PolarHBondContact N-O 3.48Å; N161-L163 PolarHBondContact O-N 2.69Å |
| 162 | V | 98.4 | Very high | 97.3 | Very high | 11 Ų | 11 | 48.4 Ų | 48.4 | 7% | 0.067 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 114.1 | 178.3 | -175 | 0 | 0 | 0 | 0 | 110.1 | V142 M152 L155 R156 L160 | V142-V162 HydrophobicContact CG2-CB 4.45Å; V142-V162 HydrophobicContact CG2-CG2 3.99Å; M152-V162 HydrophobicContact CB-CG1 4.2Å; M152-V162 HydrophobicContact CG-CG1 3.96Å; L155-V162 HydrophobicContact CB-CG2 3.52Å; L155-V162 HydrophobicContact CD1-CG2 4.1Å; L155-V162 HydrophobicContact CG-CG2 4.48Å; R156-V162 HydrophobicContact CG-CG2 3.9Å; L160-V162 PolarHBondContact O-N 3.03Å |
| 163 | L | 98 | Very high | 97.3 | Very high | 23 Ų | 23 | 46.7 Ų | 46.7 | 12% | 0.12 | 25% | 0.246 | C | C | . | . | trans | -70.4 | 144.1 | 177.4 | -54 | 178 | 0 | 0 | 0 | 110.5 | Y108 V142 Y143 N161 E167 | Y108-L163 HydrophobicContact CE1-CD1 4.33Å; V142-L163 PolarHBondContact O-N 2.93Å; Y143-L163 HydrophobicContact CD2-CB 4Å; Y143-L163 WeakPolarHBondContact CD2-O 3.34Å; Y143-L163 HydrophobicContact CG-CB 4.4Å; N161-L163 PolarHBondContact O-N 2.69Å; L163-E167 WeakPolarHBondContact CD1-OE2 3.4Å | ||
| 164 | T | 93.5 | Very high | 97.1 | Very high | 125 Ų | 125 | 47.7 Ų | 47.7 | 77% | 0.767 | 26% | 0.261 | S | S | * | . | trans | -99.8 | -13.1 | 178.1 | 52.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 165 | E | 94.3 | Very high | 96.8 | Very high | 131 Ų | 131 | 51.9 Ų | 51.9 | 61% | 0.612 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -109.6 | 136.9 | -176.1 | -64.7 | -173.4 | -177.9 | 0 | 0 | 111.1 | Y143 E167 | Y143-E165 WeakPolarHBondContact CE2-O 3.49Å; E165-E167 PolarHBondContact O-N 2.61Å; E165-E167 VanDerWaalsContact O-N 3.1Å |
| 166 | N | 96.3 | Very high | 96.7 | Very high | 20 Ų | 20 | 52.7 Ų | 52.7 | 11% | 0.107 | 28% | 0.282 | C | S | . | . | trans | -74.2 | 99.1 | 167.9 | -171 | 3.1 | 0 | 0 | 0 | 109.6 | Y143 E168 I291 R293 | Y143-N166 HydrophobicContact CE1-CB 3.99Å; Y143-N166 VanDerWaalsContact CZ-CA 3.5Å; Y143-N166 VanDerWaalsContact OH-CB 3.24Å; Y143-N166 WeakPolarHBondContact OH-CB 3.35Å; N166-E168 PolarHBondContact O-N 3.01Å; N166-E168 PolarHBondContact OD1-N 3.36Å; N166-I291 PolarHBondContact ND2-O 3.15Å; N166-R293 HydrophobicContact CB-CG 3.82Å; N166-R293 VanDerWaalsContact O-CD 3.23Å; N166-R293 WeakPolarHBondContact O-CD 3.35Å; N166-R293 WeakPolarHBondContact O-CG 3.29Å; N166-R293 PolarHBondContact O-NH1 3.33Å | ||
| 167 | E | 96.8 | Very high | 96.7 | Very high | 36 Ų | 36 | 47.4 Ų | 47.4 | 17% | 0.168 | 26% | 0.263 | C | S | . | . | trans | -76.4 | -8.8 | 175.7 | -65 | 179.4 | 138.9 | 0 | 0 | 112.7 | Y108 L163 E165 G169 K170 R171 | Y108-E167 PolarHBondContact OH-OE2 3.19Å; L163-E167 WeakPolarHBondContact CD1-OE2 3.4Å; E165-E167 PolarHBondContact O-N 2.61Å; E165-E167 VanDerWaalsContact O-N 3.1Å; E167-G169 PolarHBondContact O-N 3.49Å; E167-G169 VanDerWaalsContact O-N 3.07Å; E167-K170 VanDerWaalsContact O-CB 3.32Å; E167-K170 WeakPolarHBondContact O-CB 3.48Å; E167-K170 PolarHBondContact O-N 2.91Å; E167-R171 IonicContact OE1-CZ 3.43Å; E167-R171 IonicContact OE1-NE 2.71Å; E167-R171 PolarHBondContact OE1-NE 3.35Å; E167-R171 IonicContact OE1-NH2 3.21Å; E167-R171 PolarHBondContact OE1-NH2 3.46Å; E167-R171 IonicContact OE2-CZ 3.94Å; E167-R171 IonicContact OE2-NE 3.48Å; E167-R171 PolarHBondContact OE2-NE 3.01Å; E167-R171 IonicContact OE2-NH2 3.41Å; E167-R171 PolarHBondContact OE2-NH2 2.86Å | ||
| 168 | E | 96.9 | Very high | 96.7 | Very high | 14 Ų | 14 | 43.4 Ų | 43.4 | 7% | 0.065 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 26.7 | -177.7 | -53.3 | 176.8 | 144.4 | 0 | 0 | 113.3 | N166 K170 N191 I290 Q292 R293 | N166-E168 PolarHBondContact O-N 3.01Å; N166-E168 PolarHBondContact OD1-N 3.36Å; E168-K170 VanDerWaalsContact C-N 3.27Å; E168-K170 HydrophobicContact CB-CD 4.3Å; E168-K170 HydrophobicContact CB-CG 4.47Å; E168-K170 PolarHBondContact O-N 3.5Å; E168-K170 WeakPolarHBondContact OE2-CE 3.32Å; E168-K170 IonicContact OE2-NZ 2.66Å; E168-K170 PolarHBondContact OE2-NZ 2.97Å; E168-N191 WeakPolarHBondContact O-CB 3.39Å; E168-N191 PolarHBondContact O-ND2 2.91Å; E168-I290 HydrophobicContact CB-CD1 3.99Å; E168-Q292 WeakPolarHBondContact OE1-CA 3.46Å; E168-Q292 WeakPolarHBondContact OE1-CB 3.18Å; E168-R293 HydrophobicContact CG-CG 4.46Å; E168-R293 PolarHBondContact OE1-N 3.21Å |
| 169 | G | 96.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 6.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.6 | E167 R171 L192 | E167-G169 PolarHBondContact O-N 3.49Å; E167-G169 VanDerWaalsContact O-N 3.07Å; G169-R171 VanDerWaalsContact C-N 3.26Å; G169-R171 PolarHBondContact O-N 3.33Å; G169-L192 WeakPolarHBondContact O-CA 3.27Å; G169-L192 WeakPolarHBondContact O-CB 3.44Å; G169-L192 PolarHBondContact O-N 2.99Å |
| 170 | K | 97.1 | Very high | 96.8 | Very high | 39 Ų | 39 | 39.6 Ų | 39.6 | 17% | 0.17 | 22% | 0.216 | C | C | . | . | trans | -89.6 | 39.8 | -175.7 | -57.7 | 168.5 | -176.7 | 171.2 | 0 | 112.6 | E167 E168 N191 W194 K195 E279 | E167-K170 VanDerWaalsContact O-CB 3.32Å; E167-K170 WeakPolarHBondContact O-CB 3.48Å; E167-K170 PolarHBondContact O-N 2.91Å; E168-K170 VanDerWaalsContact C-N 3.27Å; E168-K170 HydrophobicContact CB-CD 4.3Å; E168-K170 HydrophobicContact CB-CG 4.47Å; E168-K170 PolarHBondContact O-N 3.5Å; E168-K170 WeakPolarHBondContact OE2-CE 3.32Å; E168-K170 IonicContact OE2-NZ 2.66Å; E168-K170 PolarHBondContact OE2-NZ 2.97Å; K170-N191 HydrophobicContact CG-CB 3.88Å; K170-W194 HydrophobicContact CB-CZ3 4.39Å; K170-W194 HydrophobicContact CD-CZ3 4.06Å; K170-W194 HydrophobicContact CG-CE3 4.36Å; K170-W194 HydrophobicContact CG-CZ3 4.02Å; K170-K195 WeakPolarHBondContact O-CG 3.39Å; K170-E279 VanDerWaalsContact CE-OE1 3.25Å; K170-E279 WeakPolarHBondContact CE-OE1 3.12Å; K170-E279 IonicContact NZ-OE1 3.97Å; K170-E279 PolarHBondContact NZ-OE1 3.28Å | ||
| 171 | R | 97.5 | Very high | 96.8 | Very high | 59 Ų | 59 | 39.2 Ų | 39.2 | 22% | 0.223 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -84.5 | 123 | 177.6 | 178.7 | 163 | -84.6 | -158.7 | -5.5 | 110.6 | Y108 S141 E167 G169 F179 N196 | Y108-R171 VanDerWaalsContact OH-CB 3.27Å; Y108-R171 WeakPolarHBondContact OH-CB 3.19Å; S141-R171 PolarHBondContact OG-NH1 3.25Å; E167-R171 IonicContact OE1-CZ 3.43Å; E167-R171 IonicContact OE1-NE 2.71Å; E167-R171 PolarHBondContact OE1-NE 3.35Å; E167-R171 IonicContact OE1-NH2 3.21Å; E167-R171 PolarHBondContact OE1-NH2 3.46Å; E167-R171 IonicContact OE2-CZ 3.94Å; E167-R171 IonicContact OE2-NE 3.48Å; E167-R171 PolarHBondContact OE2-NE 3.01Å; E167-R171 IonicContact OE2-NH2 3.41Å; E167-R171 PolarHBondContact OE2-NH2 2.86Å; G169-R171 VanDerWaalsContact C-N 3.26Å; G169-R171 PolarHBondContact O-N 3.33Å; R171-F179 HydrophobicContact CB-CE1 4.29Å; R171-F179 HydrophobicContact CG-CE1 4.44Å; R171-F179 HydrophobicContact CG-CZ 4.45Å; R171-N196 PolarHBondContact O-ND2 3.45Å |
| 172 | A | 97 | Very high | 96.5 | Very high | 61 Ų | 61 | 35.8 Ų | 35.8 | 50% | 0.504 | 20% | 0.196 | S | C | . | . | P | Polyproline II helix | trans | -80.1 | 142.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | K195 N196 | A172-K195 HydrophobicContact CB-CG 4.06Å; A172-N196 VanDerWaalsContact CA-OD1 3.3Å; A172-N196 WeakPolarHBondContact CA-OD1 3.3Å |
| 173 | V | 96.4 | Very high | 96.2 | Very high | 21 Ų | 21 | 38.7 Ų | 38.7 | 13% | 0.127 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -92.5 | 146.1 | 173 | -59.8 | 0 | 0 | 0 | 0 | 111.1 | F179 N196 A201 L204 L205 | V173-F179 HydrophobicContact CG1-CE2 3.56Å; V173-F179 HydrophobicContact CG1-CZ 3.83Å; V173-N196 WeakPolarHBondContact CG2-OD1 3.41Å; V173-N196 PolarHBondContact N-OD1 3.04Å; V173-A201 HydrophobicContact CG2-CB 3.9Å; V173-L204 HydrophobicContact CB-CB 4.3Å; V173-L204 HydrophobicContact CB-CD1 4.48Å; V173-L204 HydrophobicContact CG2-CB 3.83Å; V173-L204 HydrophobicContact CG2-CD1 3.88Å; V173-L204 HydrophobicContact CG2-CG 4.45Å; V173-L205 HydrophobicContact CB-CD1 4.11Å; V173-L205 HydrophobicContact CG1-CD1 3.52Å; V173-L205 HydrophobicContact CG1-CG 4.18Å; V173-L205 HydrophobicContact CG2-CD1 3.52Å |
| 174 | S | 93.4 | Very high | 96.1 | Very high | 99 Ų | 99 | 38 Ų | 38 | 69% | 0.692 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -128.4 | -7.7 | 171 | 59.6 | 0 | 0 | 0 | 0 | 112.9 | ||
| 175 | R | 93.8 | Very high | 96.2 | Very high | 88 Ų | 88 | 32.4 Ų | 32.4 | 33% | 0.332 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -152.9 | 172.8 | 179.5 | 68.9 | -178.4 | 73.2 | 157 | 6.6 | 108.6 | E104 T177 | E104-R175 VanDerWaalsContact CD-CD 3.47Å; E104-R175 HydrophobicContact CG-CG 4.42Å; E104-R175 WeakPolarHBondContact OE1-CD 3.39Å; E104-R175 IonicContact OE1-CZ 3.16Å; E104-R175 IonicContact OE1-NE 3.51Å; E104-R175 IonicContact OE1-NH1 2.68Å; E104-R175 PolarHBondContact OE1-NH1 3.32Å; E104-R175 IonicContact OE1-NH2 3.37Å; R175-T177 PolarHBondContact O-N 2.89Å; R175-T177 PolarHBondContact O-OG1 3.01Å; R175-T177 VanDerWaalsContact O-OG1 3.06Å |
| 176 | P | 95.9 | Very high | 96.3 | Very high | 16 Ų | 16 | 28.3 Ų | 28.3 | 10% | 0.104 | 15% | 0.153 | C | C | . | . | trans | -54.8 | 126.9 | 176.8 | -26.2 | 36.8 | 0 | 0 | 0 | 111 | P99 L103 E104 L204 | P99-P176 HydrophobicContact CB-CG 4.42Å; P99-P176 WeakPolarHBondContact O-CG 3.42Å; L103-P176 HydrophobicContact CD1-CB 3.96Å; E104-P176 PolarHBondContact N-O 3.23Å; P176-L204 WeakPolarHBondContact CA-O 3.5Å; P176-L204 HydrophobicContact CG-CD2 4.2Å | ||
| 177 | T | 97.8 | Very high | 96.4 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 123.8 | -176.6 | -53.8 | 0 | 0 | 0 | 0 | 110.5 | E104 V106 R175 F179 L204 T206 | E104-T177 HydrophobicContact CB-CG2 4.37Å; E104-T177 WeakPolarHBondContact O-CA 3.43Å; V106-T177 HydrophobicContact CG2-CG2 3.9Å; R175-T177 PolarHBondContact O-N 2.89Å; R175-T177 PolarHBondContact O-OG1 3.01Å; R175-T177 VanDerWaalsContact O-OG1 3.06Å; T177-F179 HydrophobicContact CG2-CD2 3.95Å; T177-F179 HydrophobicContact CG2-CE1 4.41Å; T177-F179 HydrophobicContact CG2-CE2 3.49Å; T177-F179 VanDerWaalsContact CG2-CE2 3.49Å; T177-F179 HydrophobicContact CG2-CZ 3.75Å; T177-L204 PolarHBondContact N-O 2.86Å; T177-T206 PolarHBondContact O-N 3Å |
| 178 | L | 98.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 115.3 | 169.8 | 176.6 | 66.3 | 0 | 0 | 0 | 109.8 | L103 E104 C105 V106 I129 L133 I135 T206 I208 | L103-L178 HydrophobicContact CD1-CB 4.41Å; E104-L178 PolarHBondContact O-N 3.49Å; C105-L178 CarbonylContact C-O 3.56Å; C105-L178 VanDerWaalsContact CA-O 3.23Å; C105-L178 WeakPolarHBondContact CA-O 3.48Å; C105-L178 HydrophobicContact CB-CB 4.48Å; C105-L178 PolarHBondContact SG-O 3.13Å; V106-L178 PolarHBondContact N-O 3.27Å; I129-L178 HydrophobicContact CG2-CD2 3.67Å; L133-L178 HydrophobicContact CD1-CD2 3.97Å; I135-L178 HydrophobicContact CD1-CD2 4.28Å; L178-T206 CarbonylContact C-O 3.56Å; L178-T206 WeakPolarHBondContact CA-O 3.19Å; L178-T206 HydrophobicContact CD1-CG2 3.54Å; L178-I208 HydrophobicContact CD1-CD1 3.85Å; L178-I208 HydrophobicContact CD1-CG1 3.94Å; L178-I208 HydrophobicContact CD2-CD1 4.28Å |
| 179 | F | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 127.6 | 169.9 | -67.3 | -94.4 | 0 | 0 | 0 | 111.2 | V106 Y108 R171 V173 T177 L181 L192 L205 T206 I207 I208 | V106-F179 HydrophobicContact CB-CD1 3.71Å; V106-F179 HydrophobicContact CB-CE1 3.78Å; V106-F179 HydrophobicContact CG1-CD1 4.1Å; V106-F179 HydrophobicContact CG1-CE1 4.07Å; V106-F179 HydrophobicContact CG2-CD1 4.42Å; V106-F179 HydrophobicContact CG2-CE1 4.04Å; V106-F179 CarbonylContact O-C 3.5Å; V106-F179 VanDerWaalsContact O-CA 3.28Å; V106-F179 WeakPolarHBondContact O-CA 3.49Å; Y108-F179 HydrophobicContact CE2-CD1 4.12Å; Y108-F179 HydrophobicContact CE2-CE1 4.2Å; R171-F179 HydrophobicContact CB-CE1 4.29Å; R171-F179 HydrophobicContact CG-CE1 4.44Å; R171-F179 HydrophobicContact CG-CZ 4.45Å; V173-F179 HydrophobicContact CG1-CE2 3.56Å; V173-F179 HydrophobicContact CG1-CZ 3.83Å; T177-F179 HydrophobicContact CG2-CD2 3.95Å; T177-F179 HydrophobicContact CG2-CE1 4.41Å; T177-F179 HydrophobicContact CG2-CE2 3.49Å; T177-F179 VanDerWaalsContact CG2-CE2 3.49Å; T177-F179 HydrophobicContact CG2-CZ 3.75Å; F179-L181 HydrophobicContact CB-CD1 3.42Å; F179-L181 VanDerWaalsContact CB-CD1 3.42Å; F179-L181 HydrophobicContact CG-CD1 4.42Å; F179-L192 HydrophobicContact CB-CD2 3.96Å; F179-L192 HydrophobicContact CD1-CD1 3.85Å; F179-L192 HydrophobicContact CD1-CD2 3.82Å; F179-L192 HydrophobicContact CD2-CD1 4.23Å; F179-L192 HydrophobicContact CD2-CD2 3.98Å; F179-L192 HydrophobicContact CE1-CD1 3.45Å; F179-L192 VanDerWaalsContact CE1-CD1 3.45Å; F179-L192 HydrophobicContact CE1-CD2 4.31Å; F179-L192 HydrophobicContact CE2-CD1 3.86Å; F179-L192 HydrophobicContact CE2-CD2 4.44Å; F179-L192 HydrophobicContact CG-CD1 4.22Å; F179-L192 HydrophobicContact CG-CD2 3.64Å; F179-L192 HydrophobicContact CZ-CD1 3.46Å; F179-L192 VanDerWaalsContact CZ-CD1 3.46Å; F179-L205 HydrophobicContact CD2-CG 4.26Å; F179-L205 HydrophobicContact CE2-CG 4.05Å; F179-T206 PolarHBondContact N-O 2.89Å; F179-I207 HydrophobicContact CB-CG1 4.37Å; F179-I207 CarbonylContact O-C 3.14Å; F179-I207 WeakPolarHBondContact O-CA 3.02Å; F179-I208 PolarHBondContact O-N 3.43Å |
| 180 | Y | 98.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 107.2 | 175.6 | -171.2 | -96.7 | 0 | 0 | 0 | 109 | V106 C107 Y108 Q122 L126 I129 M182 I208 | V106-Y180 PolarHBondContact O-N 3.39Å; C107-Y180 WeakPolarHBondContact CA-O 3.33Å; C107-Y180 HydrophobicContact CB-CD1 4.43Å; Y108-Y180 PolarHBondContact N-O 3.49Å; Q122-Y180 HydrophobicContact CB-CE1 4.46Å; Q122-Y180 PolarHBondContact O-OH 2.94Å; L126-Y180 HydrophobicContact CB-CD1 4.38Å; L126-Y180 HydrophobicContact CB-CE1 4.09Å; L126-Y180 HydrophobicContact CD1-CD1 4.26Å; L126-Y180 HydrophobicContact CD1-CD2 4.34Å; L126-Y180 HydrophobicContact CD1-CG 3.99Å; I129-Y180 HydrophobicContact CD1-CD2 4.18Å; I129-Y180 HydrophobicContact CD1-CE2 3.8Å; Y180-M182 HydrophobicContact CD1-CG 4.04Å; Y180-M182 HydrophobicContact CD2-CG 4.2Å; Y180-M182 HydrophobicContact CE1-CB 4.07Å; Y180-M182 HydrophobicContact CE1-CG 3.45Å; Y180-M182 VanDerWaalsContact CE1-CG 3.45Å; Y180-M182 HydrophobicContact CE2-CG 3.59Å; Y180-M182 HydrophobicContact CE2-SD 4.31Å; Y180-M182 HydrophobicContact CG-CG 4.41Å; Y180-M182 WeakPolarHBondContact OH-CG 3.35Å; Y180-I208 HydrophobicContact CD2-CB 3.95Å; Y180-I208 HydrophobicContact CD2-CD1 4.35Å; Y180-I208 HydrophobicContact CD2-CG2 3.88Å; Y180-I208 HydrophobicContact CE2-CG2 3.94Å |
| 181 | L | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 34.2 | -173.1 | -67.9 | 107 | 0 | 0 | 0 | 112.7 | Y108 F179 H183 C184 L188 Y189 L192 I207 I208 | Y108-L181 HydrophobicContact CD2-CD2 4.3Å; F179-L181 HydrophobicContact CB-CD1 3.42Å; F179-L181 VanDerWaalsContact CB-CD1 3.42Å; F179-L181 HydrophobicContact CG-CD1 4.42Å; L181-H183 PolarHBondContact O-N 3.4Å; L181-C184 VanDerWaalsContact C-SG 3.57Å; L181-C184 HydrophobicContact CB-CB 3.97Å; L181-C184 HydrophobicContact CD2-CB 4.37Å; L181-C184 WeakPolarHBondContact O-CB 3.49Å; L181-C184 PolarHBondContact O-N 2.91Å; L181-C184 PolarHBondContact O-SG 2.88Å; L181-C184 VanDerWaalsContact O-SG 3.37Å; L181-L188 HydrophobicContact CD2-CB 3.88Å; L181-Y189 HydrophobicContact CB-CD1 4.47Å; L181-Y189 HydrophobicContact CB-CE1 3.69Å; L181-Y189 HydrophobicContact CB-CE2 4.15Å; L181-Y189 VanDerWaalsContact CB-CZ 3.48Å; L181-Y189 WeakPolarHBondContact CB-OH 3.45Å; L181-Y189 HydrophobicContact CD1-CE1 4.25Å; L181-Y189 HydrophobicContact CD2-CD1 4.34Å; L181-Y189 HydrophobicContact CD2-CE1 4.35Å; L181-Y189 HydrophobicContact CD2-CG 4.5Å; L181-Y189 HydrophobicContact CG-CE1 4.35Å; L181-Y189 PolarHBondContact O-OH 3.4Å; L181-L192 HydrophobicContact CD1-CD2 3.98Å; L181-I207 HydrophobicContact CD1-CG2 3.89Å; L181-I208 PolarHBondContact N-O 2.76Å |
| 182 | M | 93.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | 123.9 | -177.5 | -68.7 | -63.7 | -60.5 | 0 | 0 | 113.2 | Q122 Y180 C184 I208 F253 T256 | Q122-M182 HydrophobicContact CG-CB 4.28Å; Y180-M182 HydrophobicContact CD1-CG 4.04Å; Y180-M182 HydrophobicContact CD2-CG 4.2Å; Y180-M182 HydrophobicContact CE1-CB 4.07Å; Y180-M182 HydrophobicContact CE1-CG 3.45Å; Y180-M182 VanDerWaalsContact CE1-CG 3.45Å; Y180-M182 HydrophobicContact CE2-CG 3.59Å; Y180-M182 HydrophobicContact CE2-SD 4.31Å; Y180-M182 HydrophobicContact CG-CG 4.41Å; Y180-M182 WeakPolarHBondContact OH-CG 3.35Å; M182-C184 PolarHBondContact O-N 2.8Å; M182-I208 HydrophobicContact SD-CG2 4.05Å; M182-F253 HydrophobicContact CE-CD1 3.7Å; M182-T256 HydrophobicContact CE-CG2 3.77Å; M182-T256 WeakPolarHBondContact CE-OG1 3.39Å; M182-T256 HydrophobicContact SD-CG2 3.34Å; M182-T256 WeakPolarHBondContact SD-CG2 3.39Å |
| 183 | H | 91.4 | Very high | 96.7 | Very high | 72 Ų | 72 | 18.6 Ų | 18.6 | 33% | 0.333 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 15.9 | -179.6 | -59.8 | -35.5 | 0 | 0 | 0 | 115.9 | Q122 L181 N210 I252 N254 | Q122-H183 PolarHBondContact NE2-CD2 2.83Å; L181-H183 PolarHBondContact O-N 3.4Å; H183-N210 VanDerWaalsContact CA-OD1 3.3Å; H183-N210 WeakPolarHBondContact CA-OD1 3.46Å; H183-N210 PolarHBondContact N-OD1 3.16Å; H183-N210 VanDerWaalsContact N-OD1 3.07Å; H183-I252 PolarHBondContact CD2-O 3.27Å; H183-I252 PolarHBondContact NE2-O 2.92Å; H183-N254 PolarHBondContact CE1-O 3.3Å; H183-N254 VanDerWaalsContact CE1-O 3.32Å; H183-N254 PolarHBondContact CE1-OD1 2.83Å; H183-N254 PolarHBondContact NE2-OD1 3.11Å |
| 184 | C | 96.4 | Very high | 96.8 | Very high | 8 Ų | 8 | 19.7 Ų | 19.7 | 5% | 0.054 | 10% | 0.102 | C | C | . | . | trans | -63.8 | 151.2 | 175.5 | -76.9 | 0 | 0 | 0 | 0 | 111.7 | Y108 L181 M182 L188 Y189 N210 | Y108-C184 PolarHBondContact O-SG 2.86Å; L181-C184 VanDerWaalsContact C-SG 3.57Å; L181-C184 HydrophobicContact CB-CB 3.97Å; L181-C184 HydrophobicContact CD2-CB 4.37Å; L181-C184 WeakPolarHBondContact O-CB 3.49Å; L181-C184 PolarHBondContact O-N 2.91Å; L181-C184 PolarHBondContact O-SG 2.88Å; L181-C184 VanDerWaalsContact O-SG 3.37Å; M182-C184 PolarHBondContact O-N 2.8Å; C184-L188 HydrophobicContact CB-CB 4.39Å; C184-L188 HydrophobicContact CB-CD1 3.77Å; C184-Y189 HydrophobicContact CB-CE2 3.78Å; C184-Y189 WeakPolarHBondContact O-CE2 3.4Å; C184-N210 PolarHBondContact O-ND2 3.2Å | ||
| 185 | G | 95.6 | Very high | 97 | Very high | 8 Ų | 8 | 19.6 Ų | 19.6 | 8% | 0.082 | 9% | 0.089 | C | C | . | . | trans | -61.3 | 147.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A187 L188 E289 | G185-A187 PolarHBondContact O-N 2.66Å; G185-A187 VanDerWaalsContact O-N 3.08Å; G185-L188 WeakPolarHBondContact O-CB 3.49Å; G185-L188 PolarHBondContact O-N 3.36Å; G185-E289 WeakPolarHBondContact CA-O 3.35Å | ||
| 186 | K | 96.6 | Very high | 97.2 | Very high | 44 Ų | 44 | 15.6 Ų | 15.6 | 19% | 0.191 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -55.2 | -31.1 | -176.7 | -63.1 | 167.3 | -71.8 | -66.1 | 0 | 113.2 | L188 Y189 N190 I215 M219 Y228 I231 E289 | K186-L188 VanDerWaalsContact C-N 3.29Å; K186-L188 PolarHBondContact O-N 3.22Å; K186-Y189 PolarHBondContact O-N 3.42Å; K186-N190 WeakPolarHBondContact O-CB 3.16Å; K186-N190 PolarHBondContact O-N 3.36Å; K186-I215 HydrophobicContact CD-CG2 4.01Å; K186-I215 HydrophobicContact CG-CD1 4.29Å; K186-I215 HydrophobicContact CG-CG1 4.44Å; K186-I215 HydrophobicContact CG-CG2 4.19Å; K186-M219 HydrophobicContact CD-CE 4.33Å; K186-M219 HydrophobicContact CD-CG 4.44Å; K186-M219 HydrophobicContact CD-SD 3.41Å; K186-M219 WeakPolarHBondContact CD-SD 3.5Å; K186-Y228 HydrophobicContact CB-CD1 3.8Å; K186-Y228 HydrophobicContact CB-CE1 3.5Å; K186-Y228 VanDerWaalsContact CB-CE1 3.5Å; K186-Y228 HydrophobicContact CB-CG 4.49Å; K186-I231 HydrophobicContact CB-CD1 4.25Å; K186-I231 WeakPolarHBondContact O-CD1 3.41Å; K186-E289 IonicContact NZ-OE2 3.78Å; K186-E289 PolarHBondContact NZ-OE2 3.07Å |
| 187 | A | 97.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.008 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.6 | -33.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G185 N190 N191 Y228 Y282 L288 I290 | G185-A187 PolarHBondContact O-N 2.66Å; G185-A187 VanDerWaalsContact O-N 3.08Å; A187-N190 PolarHBondContact O-N 3.44Å; A187-N191 VanDerWaalsContact O-CB 3.24Å; A187-N191 WeakPolarHBondContact O-CB 3.35Å; A187-N191 PolarHBondContact O-N 2.77Å; A187-N191 PolarHBondContact O-ND2 2.97Å; A187-N191 PolarHBondContact O-OD1 3.28Å; A187-Y228 HydrophobicContact CB-CE1 4.27Å; A187-Y282 HydrophobicContact CB-CD1 4.44Å; A187-Y282 HydrophobicContact CB-CD2 4.24Å; A187-Y282 HydrophobicContact CB-CE1 3.95Å; A187-Y282 HydrophobicContact CB-CE2 3.74Å; A187-Y282 PolarHBondContact O-OH 3.47Å; A187-L288 HydrophobicContact CB-CD1 3.78Å; A187-I290 HydrophobicContact CB-CB 4.02Å; A187-I290 HydrophobicContact CB-CD1 4.32Å; A187-I290 HydrophobicContact CB-CG2 3.56Å |
| 188 | L | 97.6 | Very high | 97.1 | Very high | 21 Ų | 21 | 17.7 Ų | 17.7 | 11% | 0.11 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.6 | -45.8 | 176.4 | -77 | 172.1 | 0 | 0 | 0 | 111.4 | L181 C184 G185 K186 N191 L192 I290 | L181-L188 HydrophobicContact CD2-CB 3.88Å; C184-L188 HydrophobicContact CB-CB 4.39Å; C184-L188 HydrophobicContact CB-CD1 3.77Å; G185-L188 WeakPolarHBondContact O-CB 3.49Å; G185-L188 PolarHBondContact O-N 3.36Å; K186-L188 VanDerWaalsContact C-N 3.29Å; K186-L188 PolarHBondContact O-N 3.22Å; L188-N191 PolarHBondContact O-N 3.23Å; L188-L192 WeakPolarHBondContact O-CB 3.44Å; L188-L192 PolarHBondContact O-N 3.18Å; L188-I290 HydrophobicContact CD2-CD1 3.6Å; L188-I290 HydrophobicContact CD2-CG1 4.25Å; L188-I290 HydrophobicContact CG-CD1 3.91Å; L188-I290 HydrophobicContact CG-CG1 4.33Å |
| 189 | Y | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.7 | -47.1 | 175.1 | -66.1 | -87 | 0 | 0 | 0 | 111.9 | L181 C184 K186 N191 L192 L193 I207 G209 N210 F212 | L181-Y189 HydrophobicContact CB-CD1 4.47Å; L181-Y189 HydrophobicContact CB-CE1 3.69Å; L181-Y189 HydrophobicContact CB-CE2 4.15Å; L181-Y189 VanDerWaalsContact CB-CZ 3.48Å; L181-Y189 WeakPolarHBondContact CB-OH 3.45Å; L181-Y189 HydrophobicContact CD1-CE1 4.25Å; L181-Y189 HydrophobicContact CD2-CD1 4.34Å; L181-Y189 HydrophobicContact CD2-CE1 4.35Å; L181-Y189 HydrophobicContact CD2-CG 4.5Å; L181-Y189 HydrophobicContact CG-CE1 4.35Å; L181-Y189 PolarHBondContact O-OH 3.4Å; C184-Y189 HydrophobicContact CB-CE2 3.78Å; C184-Y189 WeakPolarHBondContact O-CE2 3.4Å; K186-Y189 PolarHBondContact O-N 3.42Å; Y189-N191 VanDerWaalsContact C-N 3.34Å; Y189-N191 PolarHBondContact O-N 3.16Å; Y189-L192 PolarHBondContact O-N 3.37Å; Y189-L193 WeakPolarHBondContact O-CB 3.25Å; Y189-L193 VanDerWaalsContact O-CG 3.24Å; Y189-L193 WeakPolarHBondContact O-CG 3.34Å; Y189-L193 PolarHBondContact O-N 3.02Å; Y189-I207 HydrophobicContact CD1-CG2 4.38Å; Y189-I207 HydrophobicContact CE1-CG2 3.95Å; Y189-G209 WeakPolarHBondContact OH-CA 3.34Å; Y189-N210 HydrophobicContact CE2-CB 4.3Å; Y189-N210 PolarHBondContact OH-N 2.73Å; Y189-F212 AromaticContact CD1-CE1 3.48Å; Y189-F212 HydrophobicContact CD1-CE1 3.48Å; Y189-F212 VanDerWaalsContact CD1-CE1 3.48Å; Y189-F212 HydrophobicContact CD1-CZ 4.01Å; Y189-F212 HydrophobicContact CE1-CE1 4.1Å; Y189-F212 HydrophobicContact CG-CE1 4Å |
| 190 | N | 98 | Very high | 96.6 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.2 | -37.4 | -177.4 | -170.6 | 68.4 | 0 | 0 | 0 | 112 | K186 A187 W194 D227 Y228 Y230 I231 P280 Y282 | K186-N190 WeakPolarHBondContact O-CB 3.16Å; K186-N190 PolarHBondContact O-N 3.36Å; A187-N190 PolarHBondContact O-N 3.44Å; N190-W194 VanDerWaalsContact O-CB 3.25Å; N190-W194 WeakPolarHBondContact O-CB 3.44Å; N190-W194 PolarHBondContact O-N 2.85Å; N190-D227 PolarHBondContact ND2-O 2.89Å; N190-Y228 HydrophobicContact CB-CD1 3.84Å; N190-Y228 VanDerWaalsContact OD1-CA 3.27Å; N190-Y228 WeakPolarHBondContact OD1-CA 3.49Å; N190-Y228 PolarHBondContact OD1-O 3.18Å; N190-Y230 WeakPolarHBondContact OD1-CB 3.18Å; N190-Y230 PolarHBondContact OD1-N 3.36Å; N190-Y230 VanDerWaalsContact OD1-N 3.17Å; N190-I231 HydrophobicContact CB-CD1 4.03Å; N190-I231 HydrophobicContact CB-CG1 4.02Å; N190-I231 PolarHBondContact OD1-N 3.03Å; N190-P280 WeakPolarHBondContact ND2-CB 3.37Å; N190-P280 VanDerWaalsContact ND2-CG 3.31Å; N190-P280 WeakPolarHBondContact ND2-CG 3.1Å; N190-Y282 WeakPolarHBondContact CB-OH 3.45Å; N190-Y282 PolarHBondContact ND2-OH 3.25Å |
| 191 | N | 98.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.5 | -41.9 | 172.6 | -73.4 | -6.6 | 0 | 0 | 0 | 112.3 | E168 K170 A187 L188 Y189 W194 K195 Y282 | E168-N191 WeakPolarHBondContact O-CB 3.39Å; E168-N191 PolarHBondContact O-ND2 2.91Å; K170-N191 HydrophobicContact CG-CB 3.88Å; A187-N191 VanDerWaalsContact O-CB 3.24Å; A187-N191 WeakPolarHBondContact O-CB 3.35Å; A187-N191 PolarHBondContact O-N 2.77Å; A187-N191 PolarHBondContact O-ND2 2.97Å; A187-N191 PolarHBondContact O-OD1 3.28Å; L188-N191 PolarHBondContact O-N 3.23Å; Y189-N191 VanDerWaalsContact C-N 3.34Å; Y189-N191 PolarHBondContact O-N 3.16Å; N191-W194 PolarHBondContact O-N 3.07Å; N191-K195 WeakPolarHBondContact O-CB 3.24Å; N191-K195 PolarHBondContact O-N 3.32Å; N191-Y282 WeakPolarHBondContact OD1-CE2 3.5Å; N191-Y282 PolarHBondContact OD1-OH 3.19Å |
| 192 | L | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.1 | -47.1 | 177.1 | 176.4 | 64.5 | 0 | 0 | 0 | 111.1 | G169 F179 L181 L188 Y189 K195 N196 L205 I207 | G169-L192 WeakPolarHBondContact O-CA 3.27Å; G169-L192 WeakPolarHBondContact O-CB 3.44Å; G169-L192 PolarHBondContact O-N 2.99Å; F179-L192 HydrophobicContact CB-CD2 3.96Å; F179-L192 HydrophobicContact CD1-CD1 3.85Å; F179-L192 HydrophobicContact CD1-CD2 3.82Å; F179-L192 HydrophobicContact CD2-CD1 4.23Å; F179-L192 HydrophobicContact CD2-CD2 3.98Å; F179-L192 HydrophobicContact CE1-CD1 3.45Å; F179-L192 VanDerWaalsContact CE1-CD1 3.45Å; F179-L192 HydrophobicContact CE1-CD2 4.31Å; F179-L192 HydrophobicContact CE2-CD1 3.86Å; F179-L192 HydrophobicContact CE2-CD2 4.44Å; F179-L192 HydrophobicContact CG-CD1 4.22Å; F179-L192 HydrophobicContact CG-CD2 3.64Å; F179-L192 HydrophobicContact CZ-CD1 3.46Å; F179-L192 VanDerWaalsContact CZ-CD1 3.46Å; L181-L192 HydrophobicContact CD1-CD2 3.98Å; L188-L192 WeakPolarHBondContact O-CB 3.44Å; L188-L192 PolarHBondContact O-N 3.18Å; Y189-L192 PolarHBondContact O-N 3.37Å; L192-K195 PolarHBondContact O-N 3Å; L192-N196 WeakPolarHBondContact CD1-ND2 3.31Å; L192-N196 PolarHBondContact O-N 3.46Å; L192-N196 PolarHBondContact O-ND2 2.92Å; L192-L205 HydrophobicContact CD1-CD2 4.37Å; L192-L205 HydrophobicContact CD2-CD2 4.34Å; L192-L205 HydrophobicContact CG-CD2 4.05Å; L192-I207 HydrophobicContact CD2-CD1 4.13Å; L192-I207 HydrophobicContact CD2-CG1 4.34Å |
| 193 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.9 | -48.1 | 176.9 | -68.8 | 169.4 | 0 | 0 | 0 | 110.9 | Y189 K195 N196 W197 L202 F212 I231 A234 F261 | Y189-L193 WeakPolarHBondContact O-CB 3.25Å; Y189-L193 VanDerWaalsContact O-CG 3.24Å; Y189-L193 WeakPolarHBondContact O-CG 3.34Å; Y189-L193 PolarHBondContact O-N 3.02Å; L193-K195 VanDerWaalsContact C-N 3.34Å; L193-K195 PolarHBondContact O-N 3.37Å; L193-N196 CarbonylContact O-C 3.5Å; L193-N196 VanDerWaalsContact O-C 3.31Å; L193-N196 PolarHBondContact O-N 2.93Å; L193-N196 VanDerWaalsContact O-N 3.17Å; L193-W197 HydrophobicContact CB-CE3 4.14Å; L193-W197 HydrophobicContact CB-CZ3 4.23Å; L193-W197 HydrophobicContact CD2-CZ3 4.43Å; L193-W197 WeakPolarHBondContact O-CA 3.4Å; L193-W197 WeakPolarHBondContact O-CB 3.41Å; L193-W197 PolarHBondContact O-N 3.43Å; L193-L202 HydrophobicContact CD2-CD2 4.2Å; L193-F212 HydrophobicContact CD1-CE2 3.96Å; L193-F212 HydrophobicContact CD1-CZ 3.85Å; L193-F212 HydrophobicContact CD2-CE2 4.3Å; L193-F212 HydrophobicContact CD2-CZ 4.43Å; L193-F212 HydrophobicContact CG-CZ 4.43Å; L193-I231 HydrophobicContact CD1-CB 4.46Å; L193-I231 HydrophobicContact CD1-CG1 3.89Å; L193-A234 HydrophobicContact CD1-CB 3.82Å; L193-A234 HydrophobicContact CD2-CB 4.23Å; L193-F261 HydrophobicContact CD2-CE1 4.41Å; L193-F261 HydrophobicContact CD2-CE2 4.14Å; L193-F261 HydrophobicContact CD2-CZ 3.58Å |
| 194 | W | 97.8 | Very high | 96.8 | Very high | 43 Ų | 43 | 26.5 Ų | 26.5 | 16% | 0.163 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -53.6 | -50.7 | 176 | 165.3 | 62 | 0 | 0 | 0 | 112 | K170 N190 N191 N196 W197 Y230 A277 P278 E279 P280 | K170-W194 HydrophobicContact CB-CZ3 4.39Å; K170-W194 HydrophobicContact CD-CZ3 4.06Å; K170-W194 HydrophobicContact CG-CE3 4.36Å; K170-W194 HydrophobicContact CG-CZ3 4.02Å; N190-W194 VanDerWaalsContact O-CB 3.25Å; N190-W194 WeakPolarHBondContact O-CB 3.44Å; N190-W194 PolarHBondContact O-N 2.85Å; N191-W194 PolarHBondContact O-N 3.07Å; W194-N196 PolarHBondContact O-N 2.92Å; W194-N196 VanDerWaalsContact O-N 3.14Å; W194-W197 WeakPolarHBondContact O-CB 3.33Å; W194-W197 PolarHBondContact O-N 3.42Å; W194-Y230 HydrophobicContact CB-CD1 4.31Å; W194-Y230 HydrophobicContact CB-CD2 3.74Å; W194-Y230 HydrophobicContact CB-CE1 4.23Å; W194-Y230 HydrophobicContact CB-CE2 3.67Å; W194-Y230 HydrophobicContact CB-CG 4.08Å; W194-Y230 AromaticContact CD1-CE1 3.97Å; W194-Y230 AromaticContact CD1-CE2 3.76Å; W194-Y230 AromaticContact CD1-CZ 3.36Å; W194-Y230 AromaticContact CG-CE2 3.98Å; W194-Y230 HydrophobicContact CG-CE2 3.98Å; W194-Y230 AromaticContact CG-CZ 3.99Å; W194-A277 PolarHBondContact NE1-O 2.99Å; W194-P278 PolarHBondContact NE1-O 3.24Å; W194-E279 HydrophobicContact CD2-CG 4.35Å; W194-E279 VanDerWaalsContact CE2-CA 3.44Å; W194-E279 HydrophobicContact CE3-CG 4.21Å; W194-E279 HydrophobicContact CH2-CB 3.78Å; W194-E279 HydrophobicContact CH2-CG 3.51Å; W194-E279 WeakPolarHBondContact CH2-OE2 3.3Å; W194-E279 HydrophobicContact CZ2-CB 3.43Å; W194-E279 VanDerWaalsContact CZ2-CB 3.43Å; W194-E279 HydrophobicContact CZ2-CG 3.7Å; W194-E279 HydrophobicContact CZ3-CB 4.47Å; W194-E279 HydrophobicContact CZ3-CG 3.8Å; W194-P280 HydrophobicContact CB-CG 3.96Å; W194-P280 VanDerWaalsContact CG-CD 3.45Å; W194-P280 HydrophobicContact CG-CG 4.11Å |
| 195 | K | 97.8 | Very high | 96.9 | Very high | 98 Ų | 98 | 26.2 Ų | 26.2 | 43% | 0.426 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -61.2 | -28.5 | -176.2 | -172.7 | 64.3 | 175.5 | 177.6 | 0 | 112.3 | K170 A172 N191 L192 L193 | K170-K195 WeakPolarHBondContact O-CG 3.39Å; A172-K195 HydrophobicContact CB-CG 4.06Å; N191-K195 WeakPolarHBondContact O-CB 3.24Å; N191-K195 PolarHBondContact O-N 3.32Å; L192-K195 PolarHBondContact O-N 3Å; L193-K195 VanDerWaalsContact C-N 3.34Å; L193-K195 PolarHBondContact O-N 3.37Å |
| 196 | N | 97.6 | Very high | 97 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | 21.2 | -176.4 | -60.7 | -66.9 | 0 | 0 | 0 | 112.6 | R171 A172 V173 L192 L193 W194 S198 A201 L202 L205 | R171-N196 PolarHBondContact O-ND2 3.45Å; A172-N196 VanDerWaalsContact CA-OD1 3.3Å; A172-N196 WeakPolarHBondContact CA-OD1 3.3Å; V173-N196 WeakPolarHBondContact CG2-OD1 3.41Å; V173-N196 PolarHBondContact N-OD1 3.04Å; L192-N196 WeakPolarHBondContact CD1-ND2 3.31Å; L192-N196 PolarHBondContact O-N 3.46Å; L192-N196 PolarHBondContact O-ND2 2.92Å; L193-N196 CarbonylContact O-C 3.5Å; L193-N196 VanDerWaalsContact O-C 3.31Å; L193-N196 PolarHBondContact O-N 2.93Å; L193-N196 VanDerWaalsContact O-N 3.17Å; W194-N196 PolarHBondContact O-N 2.92Å; W194-N196 VanDerWaalsContact O-N 3.14Å; N196-S198 PolarHBondContact O-N 3.01Å; N196-A201 HydrophobicContact CB-CB 4.08Å; N196-A201 WeakPolarHBondContact O-CB 3.23Å; N196-L202 WeakPolarHBondContact O-CD2 3.41Å; N196-L202 WeakPolarHBondContact O-CG 3.36Å; N196-L205 HydrophobicContact CB-CD1 3.88Å; N196-L205 HydrophobicContact CB-CD2 4.14Å |
| 197 | W | 96.9 | Very high | 97.1 | Very high | 19 Ų | 19 | 24.4 Ų | 24.4 | 7% | 0.072 | 12% | 0.121 | C | C | . | . | trans | -76.3 | 69.5 | -172.2 | -160 | -104.2 | 0 | 0 | 0 | 112.7 | L193 W194 L202 Y230 H233 A234 L269 A273 | L193-W197 HydrophobicContact CB-CE3 4.14Å; L193-W197 HydrophobicContact CB-CZ3 4.23Å; L193-W197 HydrophobicContact CD2-CZ3 4.43Å; L193-W197 WeakPolarHBondContact O-CA 3.4Å; L193-W197 WeakPolarHBondContact O-CB 3.41Å; L193-W197 PolarHBondContact O-N 3.43Å; W194-W197 WeakPolarHBondContact O-CB 3.33Å; W194-W197 PolarHBondContact O-N 3.42Å; W197-L202 HydrophobicContact CD2-CD1 4.46Å; W197-L202 HydrophobicContact CE3-CD1 4.04Å; W197-L202 HydrophobicContact CE3-CD2 4.17Å; W197-L202 HydrophobicContact CZ3-CD1 4.11Å; W197-L202 HydrophobicContact CZ3-CD2 4.48Å; W197-Y230 HydrophobicContact CB-CD1 4.19Å; W197-Y230 HydrophobicContact CB-CE1 4.15Å; W197-Y230 AromaticContact CD2-CD1 3.55Å; W197-Y230 HydrophobicContact CD2-CD1 3.55Å; W197-Y230 HydrophobicContact CD2-CE1 4.14Å; W197-Y230 AromaticContact CE3-CD1 3.75Å; W197-Y230 HydrophobicContact CE3-CD1 3.75Å; W197-Y230 HydrophobicContact CE3-CG 4.47Å; W197-Y230 AromaticContact CG-CD1 3.73Å; W197-Y230 HydrophobicContact CG-CD1 3.73Å; W197-Y230 AromaticContact CG-CE1 3.84Å; W197-Y230 HydrophobicContact CG-CE1 3.84Å; W197-Y230 HydrophobicContact CZ3-CD1 4.35Å; W197-H233 HydrophobicContact CH2-CB 3.47Å; W197-H233 VanDerWaalsContact CH2-CB 3.47Å; W197-H233 HydrophobicContact CZ2-CB 3.45Å; W197-H233 VanDerWaalsContact CZ2-CB 3.45Å; W197-A234 HydrophobicContact CH2-CB 4.4Å; W197-A234 HydrophobicContact CZ3-CB 4.3Å; W197-L269 HydrophobicContact CH2-CD1 4.45Å; W197-L269 HydrophobicContact CZ2-CD1 3.92Å; W197-A273 PolarHBondContact NE1-O 3.18Å | ||
| 198 | S | 95 | Very high | 97.1 | Very high | 46 Ų | 46 | 24.3 Ų | 24.3 | 32% | 0.322 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -147.4 | 160.3 | 177.2 | 84.4 | 0 | 0 | 0 | 0 | 111.3 | N196 D200 A201 L202 | N196-S198 PolarHBondContact O-N 3.01Å; S198-D200 PolarHBondContact O-N 3.03Å; S198-D200 PolarHBondContact OG-N 3.14Å; S198-A201 PolarHBondContact O-N 3.02Å; S198-A201 VanDerWaalsContact OG-CB 3.24Å; S198-A201 WeakPolarHBondContact OG-CB 3.38Å; S198-A201 PolarHBondContact OG-N 3.08Å; S198-L202 WeakPolarHBondContact O-CB 3.3Å; S198-L202 WeakPolarHBondContact O-CG 3.33Å; S198-L202 PolarHBondContact O-N 3.35Å |
| 199 | R | 93.9 | Very high | 97.2 | Very high | 101 Ų | 101 | 23.3 Ų | 23.3 | 38% | 0.381 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -21.5 | 177.6 | -65.6 | -174 | -178.1 | 168.7 | 5.8 | 113.6 | P203 L266 W274 | R199-P203 VanDerWaalsContact O-CD 3.28Å; R199-P203 WeakPolarHBondContact O-CD 3.48Å; R199-P203 VanDerWaalsContact O-CG 3.3Å; R199-P203 WeakPolarHBondContact O-CG 3.47Å; R199-L266 HydrophobicContact CB-CD1 4.38Å; R199-L266 HydrophobicContact CG-CD1 4.43Å; R199-W274 HydrophobicContact CG-CD2 4.03Å; R199-W274 HydrophobicContact CG-CE3 4.23Å; R199-W274 HydrophobicContact CG-CH2 4.4Å; R199-W274 HydrophobicContact CG-CZ2 4.21Å; R199-W274 HydrophobicContact CG-CZ3 4.41Å |
| 200 | D | 93.5 | Very high | 97.1 | Very high | 95 Ų | 95 | 24.1 Ų | 24.1 | 51% | 0.508 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -32.6 | 178.7 | -69.6 | -13.2 | 0 | 0 | 0 | 111 | R96 S198 | R96-D200 IonicContact CZ-OD1 3.79Å; R96-D200 IonicContact CZ-OD2 3.51Å; R96-D200 IonicContact NH1-OD1 2.85Å; R96-D200 PolarHBondContact NH1-OD1 2.84Å; R96-D200 IonicContact NH1-OD2 3.28Å; R96-D200 PolarHBondContact NH1-OD2 3.08Å; R96-D200 IonicContact NH2-OD1 3.9Å; R96-D200 IonicContact NH2-OD2 2.89Å; R96-D200 PolarHBondContact NH2-OD2 2.84Å; S198-D200 PolarHBondContact O-N 3.03Å; S198-D200 PolarHBondContact OG-N 3.14Å |
| 201 | A | 95.9 | Very high | 97.1 | Very high | 14 Ų | 14 | 24.8 Ų | 24.8 | 12% | 0.116 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -43.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V173 N196 S198 P203 L204 L205 | V173-A201 HydrophobicContact CG2-CB 3.9Å; N196-A201 HydrophobicContact CB-CB 4.08Å; N196-A201 WeakPolarHBondContact O-CB 3.23Å; S198-A201 PolarHBondContact O-N 3.02Å; S198-A201 VanDerWaalsContact OG-CB 3.24Å; S198-A201 WeakPolarHBondContact OG-CB 3.38Å; S198-A201 PolarHBondContact OG-N 3.08Å; A201-P203 VanDerWaalsContact C-CD 3.45Å; A201-P203 VanDerWaalsContact C-N 3.32Å; A201-L204 VanDerWaalsContact O-CB 3.32Å; A201-L204 WeakPolarHBondContact O-CB 3.4Å; A201-L204 PolarHBondContact O-N 2.8Å; A201-L205 WeakPolarHBondContact O-CD1 3.25Å |
| 202 | L | 97 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -54.2 | -40.6 | -179.2 | -71.8 | -179.6 | 0 | 0 | 0 | 113.6 | L193 N196 W197 S198 L204 L205 F261 L266 W274 | L193-L202 HydrophobicContact CD2-CD2 4.2Å; N196-L202 WeakPolarHBondContact O-CD2 3.41Å; N196-L202 WeakPolarHBondContact O-CG 3.36Å; W197-L202 HydrophobicContact CD2-CD1 4.46Å; W197-L202 HydrophobicContact CE3-CD1 4.04Å; W197-L202 HydrophobicContact CE3-CD2 4.17Å; W197-L202 HydrophobicContact CZ3-CD1 4.11Å; W197-L202 HydrophobicContact CZ3-CD2 4.48Å; S198-L202 WeakPolarHBondContact O-CB 3.3Å; S198-L202 WeakPolarHBondContact O-CG 3.33Å; S198-L202 PolarHBondContact O-N 3.35Å; L202-L204 PolarHBondContact O-N 3.26Å; L202-L204 VanDerWaalsContact O-N 3.14Å; L202-L205 WeakPolarHBondContact O-CB 3.4Å; L202-L205 PolarHBondContact O-N 3.03Å; L202-F261 HydrophobicContact CB-CB 3.97Å; L202-F261 HydrophobicContact CB-CD1 4.39Å; L202-F261 HydrophobicContact CB-CD2 4.37Å; L202-F261 HydrophobicContact CB-CG 4Å; L202-F261 HydrophobicContact CD1-CD1 4.31Å; L202-F261 WeakPolarHBondContact O-CD2 3.28Å; L202-L266 HydrophobicContact CB-CD1 4.12Å; L202-L266 HydrophobicContact CD1-CD1 4.45Å; L202-L266 HydrophobicContact CD1-CD2 4.08Å; L202-W274 HydrophobicContact CD1-CH2 3.83Å; L202-W274 HydrophobicContact CD1-CZ3 3.7Å |
| 203 | P | 96.3 | Very high | 97 | Very high | 29 Ų | 29 | 26.5 Ų | 26.5 | 19% | 0.188 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -64 | -15 | 177 | -23.9 | 36.5 | 0 | 0 | 0 | 115.3 | R199 A201 L205 F261 P263 L266 | R199-P203 VanDerWaalsContact O-CD 3.28Å; R199-P203 WeakPolarHBondContact O-CD 3.48Å; R199-P203 VanDerWaalsContact O-CG 3.3Å; R199-P203 WeakPolarHBondContact O-CG 3.47Å; A201-P203 VanDerWaalsContact C-CD 3.45Å; A201-P203 VanDerWaalsContact C-N 3.32Å; P203-L205 VanDerWaalsContact C-N 3.33Å; P203-F261 VanDerWaalsContact CA-O 3.31Å; P203-F261 WeakPolarHBondContact CA-O 3.4Å; P203-P263 HydrophobicContact CB-CG 4.15Å; P203-P263 HydrophobicContact CG-CG 3.99Å; P203-L266 HydrophobicContact CG-CD1 3.96Å |
| 204 | L | 96.6 | Very high | 97 | Very high | 22 Ų | 22 | 26.9 Ų | 26.9 | 12% | 0.115 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -83.8 | -9.8 | 175 | -59.7 | 174.4 | 0 | 0 | 0 | 112.6 | P99 V173 P176 T177 A201 L202 | P99-L204 HydrophobicContact CB-CD2 3.49Å; P99-L204 VanDerWaalsContact CB-CD2 3.49Å; P99-L204 HydrophobicContact CG-CD2 3.32Å; V173-L204 HydrophobicContact CB-CB 4.3Å; V173-L204 HydrophobicContact CB-CD1 4.48Å; V173-L204 HydrophobicContact CG2-CB 3.83Å; V173-L204 HydrophobicContact CG2-CD1 3.88Å; V173-L204 HydrophobicContact CG2-CG 4.45Å; P176-L204 WeakPolarHBondContact CA-O 3.5Å; P176-L204 HydrophobicContact CG-CD2 4.2Å; T177-L204 PolarHBondContact N-O 2.86Å; A201-L204 VanDerWaalsContact O-CB 3.32Å; A201-L204 WeakPolarHBondContact O-CB 3.4Å; A201-L204 PolarHBondContact O-N 2.8Å; L202-L204 PolarHBondContact O-N 3.26Å; L202-L204 VanDerWaalsContact O-N 3.14Å |
| 205 | L | 97.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 124.4 | -178.4 | -81.1 | 67 | 0 | 0 | 0 | 110 | V173 F179 L192 N196 A201 L202 P203 I207 F261 | V173-L205 HydrophobicContact CB-CD1 4.11Å; V173-L205 HydrophobicContact CG1-CD1 3.52Å; V173-L205 HydrophobicContact CG1-CG 4.18Å; V173-L205 HydrophobicContact CG2-CD1 3.52Å; F179-L205 HydrophobicContact CD2-CG 4.26Å; F179-L205 HydrophobicContact CE2-CG 4.05Å; L192-L205 HydrophobicContact CD1-CD2 4.37Å; L192-L205 HydrophobicContact CD2-CD2 4.34Å; L192-L205 HydrophobicContact CG-CD2 4.05Å; N196-L205 HydrophobicContact CB-CD1 3.88Å; N196-L205 HydrophobicContact CB-CD2 4.14Å; A201-L205 WeakPolarHBondContact O-CD1 3.25Å; L202-L205 WeakPolarHBondContact O-CB 3.4Å; L202-L205 PolarHBondContact O-N 3.03Å; P203-L205 VanDerWaalsContact C-N 3.33Å; L205-I207 HydrophobicContact CD2-CD1 4.48Å; L205-F261 HydrophobicContact CB-CD2 4.32Å; L205-F261 HydrophobicContact CB-CE2 4.45Å |
| 206 | T | 98 | Very high | 96.8 | Very high | 14 Ų | 14 | 23.1 Ų | 23.1 | 9% | 0.086 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 130.2 | 155.9 | -63.1 | 0 | 0 | 0 | 0 | 107.8 | V69 T177 L178 F179 L258 T260 | V69-T206 HydrophobicContact CG1-CG2 4.3Å; T177-T206 PolarHBondContact O-N 3Å; L178-T206 CarbonylContact C-O 3.56Å; L178-T206 WeakPolarHBondContact CA-O 3.19Å; L178-T206 HydrophobicContact CD1-CG2 3.54Å; F179-T206 PolarHBondContact N-O 2.89Å; T206-L258 HydrophobicContact CG2-CD1 3.48Å; T206-L258 VanDerWaalsContact CG2-CD1 3.48Å; T206-T260 HydrophobicContact CG2-CG2 4.18Å |
| 207 | I | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 130.2 | -179.6 | -57.7 | 168 | 0 | 0 | 0 | 109.3 | F179 L181 Y189 L192 L205 F212 L258 I259 F261 | F179-I207 HydrophobicContact CB-CG1 4.37Å; F179-I207 CarbonylContact O-C 3.14Å; F179-I207 WeakPolarHBondContact O-CA 3.02Å; L181-I207 HydrophobicContact CD1-CG2 3.89Å; Y189-I207 HydrophobicContact CD1-CG2 4.38Å; Y189-I207 HydrophobicContact CE1-CG2 3.95Å; L192-I207 HydrophobicContact CD2-CD1 4.13Å; L192-I207 HydrophobicContact CD2-CG1 4.34Å; L205-I207 HydrophobicContact CD2-CD1 4.48Å; I207-F212 HydrophobicContact CD1-CZ 4.1Å; I207-L258 CarbonylContact O-C 3.53Å; I207-L258 WeakPolarHBondContact O-CA 3.04Å; I207-I259 HydrophobicContact CB-CB 4.18Å; I207-I259 PolarHBondContact N-O 3.01Å; I207-I259 PolarHBondContact O-N 3.4Å; I207-F261 HydrophobicContact CD1-CE2 4.33Å |
| 208 | I | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 115.9 | 162.4 | -61.7 | 168.4 | 0 | 0 | 0 | 106.9 | W62 L66 I129 L178 F179 Y180 L181 M182 L243 T256 A257 L258 | W62-I208 HydrophobicContact CZ3-CG2 4.34Å; L66-I208 HydrophobicContact CD1-CD1 4.2Å; L66-I208 HydrophobicContact CD2-CD1 3.52Å; L66-I208 HydrophobicContact CD2-CG1 4.03Å; I129-I208 HydrophobicContact CD1-CD1 3.73Å; I129-I208 HydrophobicContact CG2-CD1 4.28Å; L178-I208 HydrophobicContact CD1-CD1 3.85Å; L178-I208 HydrophobicContact CD1-CG1 3.94Å; L178-I208 HydrophobicContact CD2-CD1 4.28Å; F179-I208 PolarHBondContact O-N 3.43Å; Y180-I208 HydrophobicContact CD2-CB 3.95Å; Y180-I208 HydrophobicContact CD2-CD1 4.35Å; Y180-I208 HydrophobicContact CD2-CG2 3.88Å; Y180-I208 HydrophobicContact CE2-CG2 3.94Å; L181-I208 PolarHBondContact N-O 2.76Å; M182-I208 HydrophobicContact SD-CG2 4.05Å; I208-L243 HydrophobicContact CG2-CD1 4.16Å; I208-T256 HydrophobicContact CG2-CG2 4.1Å; I208-A257 WeakPolarHBondContact CA-O 3.32Å; I208-L258 HydrophobicContact CG1-CD1 3.98Å |
| 209 | G | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.9 | -160.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y189 T256 A257 | Y189-G209 WeakPolarHBondContact OH-CA 3.34Å; G209-T256 CarbonylContact O-C 3.51Å; G209-T256 WeakPolarHBondContact O-CA 3.49Å; G209-A257 PolarHBondContact N-O 3.07Å; G209-A257 VanDerWaalsContact N-O 3.09Å; G209-A257 PolarHBondContact O-N 2.87Å |
| 210 | N | 97.3 | Very high | 96.6 | Very high | 16 Ų | 16 | 34.8 Ų | 34.8 | 9% | 0.086 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 137.4 | -179.9 | -58.5 | -13.4 | 0 | 0 | 0 | 110.5 | H183 C184 Y189 F212 I215 D255 | H183-N210 VanDerWaalsContact CA-OD1 3.3Å; H183-N210 WeakPolarHBondContact CA-OD1 3.46Å; H183-N210 PolarHBondContact N-OD1 3.16Å; H183-N210 VanDerWaalsContact N-OD1 3.07Å; C184-N210 PolarHBondContact O-ND2 3.2Å; Y189-N210 HydrophobicContact CE2-CB 4.3Å; Y189-N210 PolarHBondContact OH-N 2.73Å; N210-F212 PolarHBondContact O-N 3.04Å; N210-I215 HydrophobicContact CB-CD1 4.12Å; N210-I215 HydrophobicContact CB-CG1 4.49Å; N210-D255 CarbonylContact C-O 3.49Å; N210-D255 VanDerWaalsContact CA-O 3.3Å; N210-D255 WeakPolarHBondContact CA-O 2.99Å |
| 211 | S | 97.9 | Very high | 96.6 | Very high | 16 Ų | 16 | 34.7 Ų | 34.7 | 11% | 0.112 | 18% | 0.18 | C | C | . | . | trans | -53.9 | 124.1 | 174.4 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | A213 G214 I215 E240 D255 | S211-A213 VanDerWaalsContact C-N 3.34Å; S211-G214 PolarHBondContact O-N 3.13Å; S211-G214 PolarHBondContact OG-N 2.89Å; S211-I215 WeakPolarHBondContact O-CG1 3.32Å; S211-I215 PolarHBondContact O-N 3.01Å; S211-E240 WeakPolarHBondContact CA-OE1 3.42Å; S211-E240 WeakPolarHBondContact CB-OE1 3.46Å; S211-E240 PolarHBondContact OG-OE1 2.94Å; S211-D255 PolarHBondContact N-O 2.92Å | ||
| 212 | F | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.9 | -38 | 174.8 | -71.7 | -9.9 | 0 | 0 | 0 | 110.5 | Y189 L193 I207 N210 G214 I215 Q216 I231 A234 V235 E240 I259 F261 | Y189-F212 AromaticContact CD1-CE1 3.48Å; Y189-F212 HydrophobicContact CD1-CE1 3.48Å; Y189-F212 VanDerWaalsContact CD1-CE1 3.48Å; Y189-F212 HydrophobicContact CD1-CZ 4.01Å; Y189-F212 HydrophobicContact CE1-CE1 4.1Å; Y189-F212 HydrophobicContact CG-CE1 4Å; L193-F212 HydrophobicContact CD1-CE2 3.96Å; L193-F212 HydrophobicContact CD1-CZ 3.85Å; L193-F212 HydrophobicContact CD2-CE2 4.3Å; L193-F212 HydrophobicContact CD2-CZ 4.43Å; L193-F212 HydrophobicContact CG-CZ 4.43Å; I207-F212 HydrophobicContact CD1-CZ 4.1Å; N210-F212 PolarHBondContact O-N 3.04Å; F212-G214 VanDerWaalsContact C-N 3.32Å; F212-G214 PolarHBondContact O-N 2.81Å; F212-I215 HydrophobicContact CD1-CD1 4.21Å; F212-I215 PolarHBondContact O-N 3.03Å; F212-Q216 WeakPolarHBondContact O-CB 3.43Å; F212-Q216 PolarHBondContact O-N 3.1Å; F212-I231 HydrophobicContact CB-CG2 4.39Å; F212-I231 HydrophobicContact CD1-CG2 4.23Å; F212-I231 HydrophobicContact CG-CG2 4.27Å; F212-A234 HydrophobicContact CD2-CB 3.91Å; F212-A234 HydrophobicContact CE2-CB 3.86Å; F212-V235 HydrophobicContact CB-CG2 3.65Å; F212-E240 PolarHBondContact N-OE2 3.22Å; F212-I259 HydrophobicContact CD1-CD1 3.83Å; F212-I259 HydrophobicContact CD2-CD1 4.08Å; F212-I259 HydrophobicContact CD2-CG2 4.06Å; F212-I259 HydrophobicContact CE1-CD1 3.93Å; F212-I259 HydrophobicContact CE2-CD1 4.16Å; F212-I259 HydrophobicContact CE2-CG2 3.9Å; F212-I259 HydrophobicContact CG-CD1 3.92Å; F212-I259 HydrophobicContact CZ-CD1 4.09Å; F212-F261 HydrophobicContact CE2-CZ 4.21Å |
| 213 | A | 97 | Very high | 96.3 | Very high | 39 Ų | 39 | 45.3 Ų | 45.3 | 32% | 0.322 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.8 | -45.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S211 I215 Q216 D217 E240 | S211-A213 VanDerWaalsContact C-N 3.34Å; A213-I215 PolarHBondContact O-N 2.67Å; A213-Q216 WeakPolarHBondContact O-CB 3.44Å; A213-Q216 PolarHBondContact O-N 3.36Å; A213-D217 PolarHBondContact O-N 2.88Å; A213-E240 PolarHBondContact N-OE2 2.79Å |
| 214 | G | 96.5 | Very high | 96.2 | Very high | 8 Ų | 8 | 44 Ų | 44 | 8% | 0.082 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.8 | -39.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S211 F212 R218 | S211-G214 PolarHBondContact O-N 3.13Å; S211-G214 PolarHBondContact OG-N 2.89Å; F212-G214 VanDerWaalsContact C-N 3.32Å; F212-G214 PolarHBondContact O-N 2.81Å; G214-R218 VanDerWaalsContact C-CZ 3.49Å; G214-R218 WeakPolarHBondContact O-CG 3.39Å; G214-R218 PolarHBondContact O-N 2.94Å; G214-R218 PolarHBondContact O-NE 2.84Å; G214-R218 PolarHBondContact O-NH1 3.02Å |
| 215 | I | 96.2 | Very high | 96.1 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.4 | -47.9 | 172.1 | -69.7 | 167 | 0 | 0 | 0 | 110 | K186 N210 S211 F212 A213 D217 R218 M219 L224 I231 | K186-I215 HydrophobicContact CD-CG2 4.01Å; K186-I215 HydrophobicContact CG-CD1 4.29Å; K186-I215 HydrophobicContact CG-CG1 4.44Å; K186-I215 HydrophobicContact CG-CG2 4.19Å; N210-I215 HydrophobicContact CB-CD1 4.12Å; N210-I215 HydrophobicContact CB-CG1 4.49Å; S211-I215 WeakPolarHBondContact O-CG1 3.32Å; S211-I215 PolarHBondContact O-N 3.01Å; F212-I215 HydrophobicContact CD1-CD1 4.21Å; F212-I215 PolarHBondContact O-N 3.03Å; A213-I215 PolarHBondContact O-N 2.67Å; I215-D217 VanDerWaalsContact C-N 3.35Å; I215-D217 PolarHBondContact O-N 3.02Å; I215-R218 PolarHBondContact O-N 3.45Å; I215-M219 HydrophobicContact CG2-CG 4.33Å; I215-M219 HydrophobicContact CG2-SD 3.75Å; I215-M219 WeakPolarHBondContact O-CB 3.4Å; I215-M219 VanDerWaalsContact O-CG 3.28Å; I215-M219 WeakPolarHBondContact O-CG 3.33Å; I215-M219 PolarHBondContact O-N 2.6Å; I215-M219 VanDerWaalsContact O-N 3.16Å; I215-L224 HydrophobicContact CG2-CD1 4.13Å; I215-I231 HydrophobicContact CD1-CD1 4.42Å; I215-I231 HydrophobicContact CG2-CG2 4.18Å |
| 216 | Q | 96.4 | Very high | 95.8 | Very high | 57 Ų | 57 | 52.5 Ų | 52.5 | 27% | 0.266 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.7 | -44.1 | 179.4 | 179.3 | 177 | -55.6 | 0 | 0 | 112.1 | F212 A213 R218 M219 L224 V235 | F212-Q216 WeakPolarHBondContact O-CB 3.43Å; F212-Q216 PolarHBondContact O-N 3.1Å; A213-Q216 WeakPolarHBondContact O-CB 3.44Å; A213-Q216 PolarHBondContact O-N 3.36Å; Q216-R218 VanDerWaalsContact C-N 3.32Å; Q216-R218 PolarHBondContact O-N 3.38Å; Q216-M219 PolarHBondContact O-N 3.38Å; Q216-L224 HydrophobicContact CB-CD2 3.99Å; Q216-L224 HydrophobicContact CG-CD2 3.82Å; Q216-V235 HydrophobicContact CB-CG2 4.38Å; Q216-V235 VanDerWaalsContact OE1-CG1 3.29Å |
| 217 | D | 95.9 | Very high | 95.6 | Very high | 131 Ų | 131 | 52.4 Ų | 52.4 | 70% | 0.701 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -66.8 | -31.7 | -177.5 | -74.7 | -12.8 | 0 | 0 | 0 | 113.3 | A213 I215 | A213-D217 PolarHBondContact O-N 2.88Å; I215-D217 VanDerWaalsContact C-N 3.35Å; I215-D217 PolarHBondContact O-N 3.02Å |
| 218 | R | 94.7 | Very high | 95.4 | Very high | 153 Ų | 153 | 52.7 Ų | 52.7 | 58% | 0.577 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -88.6 | -17.1 | -178.1 | -66.2 | -175.2 | -60.1 | -99 | 6.1 | 113.4 | G214 I215 Q216 D255 | G214-R218 VanDerWaalsContact C-CZ 3.49Å; G214-R218 WeakPolarHBondContact O-CG 3.39Å; G214-R218 PolarHBondContact O-N 2.94Å; G214-R218 PolarHBondContact O-NE 2.84Å; G214-R218 PolarHBondContact O-NH1 3.02Å; I215-R218 PolarHBondContact O-N 3.45Å; Q216-R218 VanDerWaalsContact C-N 3.32Å; Q216-R218 PolarHBondContact O-N 3.38Å; R218-D255 IonicContact CZ-OD1 3.22Å; R218-D255 IonicContact CZ-OD2 2.84Å; R218-D255 VanDerWaalsContact NH1-CG 3.28Å; R218-D255 IonicContact NH1-OD1 3.23Å; R218-D255 PolarHBondContact NH1-OD1 3.4Å; R218-D255 IonicContact NH1-OD2 2.79Å; R218-D255 PolarHBondContact NH1-OD2 3.15Å; R218-D255 IonicContact NH2-OD1 3.76Å; R218-D255 IonicContact NH2-OD2 2.67Å; R218-D255 PolarHBondContact NH2-OD2 3.07Å |
| 219 | M | 93.9 | Very high | 95.2 | Very high | 38 Ų | 38 | 54.2 Ų | 54.2 | 19% | 0.187 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -97.2 | 149.6 | -177.5 | -70.5 | -166.8 | 72.6 | 0 | 0 | 112.6 | K186 I215 Q216 Q221 L224 Y228 | K186-M219 HydrophobicContact CD-CE 4.33Å; K186-M219 HydrophobicContact CD-CG 4.44Å; K186-M219 HydrophobicContact CD-SD 3.41Å; K186-M219 WeakPolarHBondContact CD-SD 3.5Å; I215-M219 HydrophobicContact CG2-CG 4.33Å; I215-M219 HydrophobicContact CG2-SD 3.75Å; I215-M219 WeakPolarHBondContact O-CB 3.4Å; I215-M219 VanDerWaalsContact O-CG 3.28Å; I215-M219 WeakPolarHBondContact O-CG 3.33Å; I215-M219 PolarHBondContact O-N 2.6Å; I215-M219 VanDerWaalsContact O-N 3.16Å; Q216-M219 PolarHBondContact O-N 3.38Å; M219-Q221 PolarHBondContact O-N 3.21Å; M219-L224 HydrophobicContact CB-CB 4.2Å; M219-L224 HydrophobicContact SD-CD1 3.82Å; M219-Y228 HydrophobicContact CE-CD2 3.55Å; M219-Y228 HydrophobicContact CE-CE2 3.67Å; M219-Y228 HydrophobicContact SD-CD2 4.19Å |
| 220 | I | 94.3 | Very high | 95.1 | Very high | 93 Ų | 93 | 54.8 Ų | 54.8 | 48% | 0.477 | 26% | 0.257 | S | S | . | . | trans | -69.8 | 124.2 | 169.9 | -58.7 | 175.7 | 0 | 0 | 0 | 107.7 | R222 E223 L224 | I220-R222 HydrophobicContact CG2-CG 3.87Å; I220-R222 PolarHBondContact O-N 3Å; I220-E223 HydrophobicContact CB-CB 4.43Å; I220-E223 HydrophobicContact CB-CG 4.41Å; I220-E223 WeakPolarHBondContact O-CA 3.35Å; I220-E223 WeakPolarHBondContact O-CB 3.46Å; I220-E223 PolarHBondContact O-N 3.32Å; I220-L224 PolarHBondContact O-N 2.97Å | ||
| 221 | Q | 93.9 | Very high | 95.1 | Very high | 94 Ų | 94 | 54 Ų | 54 | 44% | 0.439 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -49 | -42.8 | -174.1 | -173.5 | 64.9 | 10.9 | 0 | 0 | 113.7 | M219 E223 L224 Q225 | M219-Q221 PolarHBondContact O-N 3.21Å; Q221-E223 VanDerWaalsContact C-N 3.29Å; Q221-E223 PolarHBondContact O-N 2.89Å; Q221-L224 PolarHBondContact O-N 3.36Å; Q221-Q225 HydrophobicContact CG-CG 4.32Å; Q221-Q225 WeakPolarHBondContact O-CB 3.3Å; Q221-Q225 WeakPolarHBondContact O-CG 3.3Å; Q221-Q225 PolarHBondContact O-N 2.92Å |
| 222 | R | 93.9 | Very high | 95 | Very high | 183 Ų | 183 | 53.4 Ų | 53.4 | 69% | 0.691 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -63.9 | -33.3 | 179.6 | 79.6 | -168.3 | 176.2 | 173.2 | -1 | 113.1 | I220 R226 | I220-R222 HydrophobicContact CG2-CG 3.87Å; I220-R222 PolarHBondContact O-N 3Å; R222-R226 VanDerWaalsContact O-CB 3.26Å; R222-R226 WeakPolarHBondContact O-CB 3.35Å; R222-R226 PolarHBondContact O-N 3.02Å; R222-R226 VanDerWaalsContact O-N 3.12Å |
| 223 | E | 93.3 | Very high | 94.8 | Very high | 54 Ų | 54 | 56.3 Ų | 56.3 | 25% | 0.252 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -79.7 | -41.8 | -178.8 | -72.2 | 160.1 | -155.9 | 0 | 0 | 109.7 | I220 Q221 Q225 R226 D227 | I220-E223 HydrophobicContact CB-CB 4.43Å; I220-E223 HydrophobicContact CB-CG 4.41Å; I220-E223 WeakPolarHBondContact O-CA 3.35Å; I220-E223 WeakPolarHBondContact O-CB 3.46Å; I220-E223 PolarHBondContact O-N 3.32Å; Q221-E223 VanDerWaalsContact C-N 3.29Å; Q221-E223 PolarHBondContact O-N 2.89Å; E223-Q225 VanDerWaalsContact C-N 3.35Å; E223-Q225 PolarHBondContact O-N 2.95Å; E223-R226 PolarHBondContact O-N 3.08Å; E223-D227 WeakPolarHBondContact O-CB 3.28Å; E223-D227 PolarHBondContact O-N 3.47Å |
| 224 | L | 94.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.4 | -49.2 | 170.7 | -179 | 74.1 | 0 | 0 | 0 | 111.1 | I215 Q216 M219 I220 Q221 R226 Y228 S229 I231 A232 | I215-L224 HydrophobicContact CG2-CD1 4.13Å; Q216-L224 HydrophobicContact CB-CD2 3.99Å; Q216-L224 HydrophobicContact CG-CD2 3.82Å; M219-L224 HydrophobicContact CB-CB 4.2Å; M219-L224 HydrophobicContact SD-CD1 3.82Å; I220-L224 PolarHBondContact O-N 2.97Å; Q221-L224 PolarHBondContact O-N 3.36Å; L224-R226 VanDerWaalsContact C-N 3.33Å; L224-R226 PolarHBondContact O-N 2.94Å; L224-Y228 CarbonylContact O-C 2.99Å; L224-Y228 VanDerWaalsContact O-CA 3.25Å; L224-Y228 WeakPolarHBondContact O-CA 3.3Å; L224-Y228 PolarHBondContact O-N 3.49Å; L224-S229 PolarHBondContact O-N 2.97Å; L224-I231 HydrophobicContact CD1-CB 4.46Å; L224-I231 HydrophobicContact CD1-CG2 4.33Å; L224-A232 HydrophobicContact CD2-CB 3.96Å; L224-A232 HydrophobicContact CG-CB 3.88Å |
| 225 | Q | 93 | Very high | 94.8 | Very high | 77 Ų | 77 | 55.8 Ų | 55.8 | 36% | 0.36 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.1 | -33.6 | -179.6 | -69.6 | -68.4 | -21.4 | 0 | 0 | 113.3 | Q221 E223 S229 | Q221-Q225 HydrophobicContact CG-CG 4.32Å; Q221-Q225 WeakPolarHBondContact O-CB 3.3Å; Q221-Q225 WeakPolarHBondContact O-CG 3.3Å; Q221-Q225 PolarHBondContact O-N 2.92Å; E223-Q225 VanDerWaalsContact C-N 3.35Å; E223-Q225 PolarHBondContact O-N 2.95Å; Q225-S229 WeakPolarHBondContact O-CB 3.5Å |
| 226 | R | 92.6 | Very high | 94.7 | Very high | 126 Ų | 126 | 59.2 Ų | 59.2 | 48% | 0.475 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -78 | -48.9 | -180 | -176.2 | -170.4 | 64.6 | -162.3 | -11.5 | 112.2 | R222 E223 L224 H284 | R222-R226 VanDerWaalsContact O-CB 3.26Å; R222-R226 WeakPolarHBondContact O-CB 3.35Å; R222-R226 PolarHBondContact O-N 3.02Å; R222-R226 VanDerWaalsContact O-N 3.12Å; E223-R226 PolarHBondContact O-N 3.08Å; L224-R226 VanDerWaalsContact C-N 3.33Å; L224-R226 PolarHBondContact O-N 2.94Å; R226-H284 PolarHBondContact NE-CD2 2.87Å |
| 227 | D | 93.2 | Very high | 94.6 | Very high | 11 Ų | 11 | 56.5 Ų | 56.5 | 6% | 0.059 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -101.8 | -24.3 | -166.7 | -56.5 | -35 | 0 | 0 | 0 | 112.9 | N190 E223 Y282 H284 | N190-D227 PolarHBondContact ND2-O 2.89Å; E223-D227 WeakPolarHBondContact O-CB 3.28Å; E223-D227 PolarHBondContact O-N 3.47Å; D227-Y282 WeakPolarHBondContact O-CE1 3.42Å; D227-H284 IonicContact OD1-CD2 2.69Å |
| 228 | Y | 95.3 | Very high | 94.7 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 3% | 0.027 | 24% | 0.238 | C | C | . | . | trans | -133.2 | 42.3 | -174.6 | -56.2 | -81.1 | 0 | 0 | 0 | 111.9 | K186 A187 N190 M219 L224 Y230 I231 A232 Y282 C285 | K186-Y228 HydrophobicContact CB-CD1 3.8Å; K186-Y228 HydrophobicContact CB-CE1 3.5Å; K186-Y228 VanDerWaalsContact CB-CE1 3.5Å; K186-Y228 HydrophobicContact CB-CG 4.49Å; A187-Y228 HydrophobicContact CB-CE1 4.27Å; N190-Y228 HydrophobicContact CB-CD1 3.84Å; N190-Y228 VanDerWaalsContact OD1-CA 3.27Å; N190-Y228 WeakPolarHBondContact OD1-CA 3.49Å; N190-Y228 PolarHBondContact OD1-O 3.18Å; M219-Y228 HydrophobicContact CE-CD2 3.55Å; M219-Y228 HydrophobicContact CE-CE2 3.67Å; M219-Y228 HydrophobicContact SD-CD2 4.19Å; L224-Y228 CarbonylContact O-C 2.99Å; L224-Y228 VanDerWaalsContact O-CA 3.25Å; L224-Y228 WeakPolarHBondContact O-CA 3.3Å; L224-Y228 PolarHBondContact O-N 3.49Å; Y228-Y230 PolarHBondContact O-N 3.33Å; Y228-I231 HydrophobicContact CD1-CD1 4.3Å; Y228-I231 WeakPolarHBondContact O-CB 3.46Å; Y228-I231 PolarHBondContact O-N 3.26Å; Y228-I231 VanDerWaalsContact O-N 3.08Å; Y228-A232 PolarHBondContact O-N 2.94Å; Y228-Y282 AromaticContact CD1-CE1 3.8Å; Y228-Y282 HydrophobicContact CD1-CE1 3.8Å; Y228-Y282 AromaticContact CE1-CD1 3.89Å; Y228-Y282 HydrophobicContact CE1-CD1 3.89Å; Y228-Y282 AromaticContact CE1-CE1 3.47Å; Y228-Y282 HydrophobicContact CE1-CE1 3.47Å; Y228-Y282 VanDerWaalsContact CE1-CE1 3.47Å; Y228-C285 PolarHBondContact OH-SG 3.12Å; Y228-C285 VanDerWaalsContact OH-SG 3.35Å | ||
| 229 | S | 94 | Very high | 94.8 | Very high | 32 Ų | 32 | 46.2 Ų | 46.2 | 22% | 0.224 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.6 | -32.7 | -173.7 | 58.3 | 0 | 0 | 0 | 0 | 113.7 | L224 Q225 A232 H233 | L224-S229 PolarHBondContact O-N 2.97Å; Q225-S229 WeakPolarHBondContact O-CB 3.5Å; S229-A232 WeakPolarHBondContact O-CB 3.37Å; S229-A232 PolarHBondContact O-N 3.4Å; S229-H233 VanDerWaalsContact O-CG 3.31Å; S229-H233 PolarHBondContact O-N 2.93Å; S229-H233 PolarHBondContact O-ND1 3.16Å |
| 230 | Y | 96.3 | Very high | 94.9 | Very high | 11 Ų | 11 | 46.4 Ų | 46.4 | 4% | 0.043 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71 | -37.1 | 178.9 | -58.4 | -81.8 | 0 | 0 | 0 | 111.8 | N190 W194 W197 Y228 A232 A234 A277 P278 P280 | N190-Y230 WeakPolarHBondContact OD1-CB 3.18Å; N190-Y230 PolarHBondContact OD1-N 3.36Å; N190-Y230 VanDerWaalsContact OD1-N 3.17Å; W194-Y230 HydrophobicContact CB-CD1 4.31Å; W194-Y230 HydrophobicContact CB-CD2 3.74Å; W194-Y230 HydrophobicContact CB-CE1 4.23Å; W194-Y230 HydrophobicContact CB-CE2 3.67Å; W194-Y230 HydrophobicContact CB-CG 4.08Å; W194-Y230 AromaticContact CD1-CE1 3.97Å; W194-Y230 AromaticContact CD1-CE2 3.76Å; W194-Y230 AromaticContact CD1-CZ 3.36Å; W194-Y230 AromaticContact CG-CE2 3.98Å; W194-Y230 HydrophobicContact CG-CE2 3.98Å; W194-Y230 AromaticContact CG-CZ 3.99Å; W197-Y230 HydrophobicContact CB-CD1 4.19Å; W197-Y230 HydrophobicContact CB-CE1 4.15Å; W197-Y230 AromaticContact CD2-CD1 3.55Å; W197-Y230 HydrophobicContact CD2-CD1 3.55Å; W197-Y230 HydrophobicContact CD2-CE1 4.14Å; W197-Y230 AromaticContact CE3-CD1 3.75Å; W197-Y230 HydrophobicContact CE3-CD1 3.75Å; W197-Y230 HydrophobicContact CE3-CG 4.47Å; W197-Y230 AromaticContact CG-CD1 3.73Å; W197-Y230 HydrophobicContact CG-CD1 3.73Å; W197-Y230 AromaticContact CG-CE1 3.84Å; W197-Y230 HydrophobicContact CG-CE1 3.84Å; W197-Y230 HydrophobicContact CZ3-CD1 4.35Å; Y228-Y230 PolarHBondContact O-N 3.33Å; Y230-A232 VanDerWaalsContact C-N 3.34Å; Y230-A234 WeakPolarHBondContact O-CB 3.45Å; Y230-A234 PolarHBondContact O-N 3.34Å; Y230-A277 HydrophobicContact CE1-CB 3.75Å; Y230-A277 WeakPolarHBondContact OH-CB 3.29Å; Y230-P278 PolarHBondContact OH-O 3Å; Y230-P280 HydrophobicContact CD2-CG 4.04Å; Y230-P280 HydrophobicContact CE2-CG 3.79Å |
| 231 | I | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.8 | -46.2 | 169.5 | -60.5 | 177.9 | 0 | 0 | 0 | 109.3 | K186 N190 L193 F212 I215 L224 Y228 H233 A234 V235 | K186-I231 HydrophobicContact CB-CD1 4.25Å; K186-I231 WeakPolarHBondContact O-CD1 3.41Å; N190-I231 HydrophobicContact CB-CD1 4.03Å; N190-I231 HydrophobicContact CB-CG1 4.02Å; N190-I231 PolarHBondContact OD1-N 3.03Å; L193-I231 HydrophobicContact CD1-CB 4.46Å; L193-I231 HydrophobicContact CD1-CG1 3.89Å; F212-I231 HydrophobicContact CB-CG2 4.39Å; F212-I231 HydrophobicContact CD1-CG2 4.23Å; F212-I231 HydrophobicContact CG-CG2 4.27Å; I215-I231 HydrophobicContact CD1-CD1 4.42Å; I215-I231 HydrophobicContact CG2-CG2 4.18Å; L224-I231 HydrophobicContact CD1-CB 4.46Å; L224-I231 HydrophobicContact CD1-CG2 4.33Å; Y228-I231 HydrophobicContact CD1-CD1 4.3Å; Y228-I231 WeakPolarHBondContact O-CB 3.46Å; Y228-I231 PolarHBondContact O-N 3.26Å; Y228-I231 VanDerWaalsContact O-N 3.08Å; I231-H233 VanDerWaalsContact C-N 3.29Å; I231-H233 PolarHBondContact O-N 2.98Å; I231-A234 PolarHBondContact O-N 3.1Å; I231-A234 VanDerWaalsContact O-N 3.08Å; I231-V235 WeakPolarHBondContact O-CG2 3.49Å; I231-V235 PolarHBondContact O-N 2.78Å; I231-V235 VanDerWaalsContact O-N 3.08Å |
| 232 | A | 95.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.3 | -40.5 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | L224 Y228 S229 Y230 | L224-A232 HydrophobicContact CD2-CB 3.96Å; L224-A232 HydrophobicContact CG-CB 3.88Å; Y228-A232 PolarHBondContact O-N 2.94Å; S229-A232 WeakPolarHBondContact O-CB 3.37Å; S229-A232 PolarHBondContact O-N 3.4Å; Y230-A232 VanDerWaalsContact C-N 3.34Å |
| 233 | H | 94.8 | Very high | 95.3 | Very high | 62 Ų | 62 | 37.4 Ų | 37.4 | 29% | 0.287 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -75.2 | -36.8 | 174.2 | -65.4 | 153.1 | 0 | 0 | 0 | 112.5 | W197 S229 I231 V235 C236 L269 | W197-H233 HydrophobicContact CH2-CB 3.47Å; W197-H233 VanDerWaalsContact CH2-CB 3.47Å; W197-H233 HydrophobicContact CZ2-CB 3.45Å; W197-H233 VanDerWaalsContact CZ2-CB 3.45Å; S229-H233 VanDerWaalsContact O-CG 3.31Å; S229-H233 PolarHBondContact O-N 2.93Å; S229-H233 PolarHBondContact O-ND1 3.16Å; I231-H233 VanDerWaalsContact C-N 3.29Å; I231-H233 PolarHBondContact O-N 2.98Å; H233-V235 VanDerWaalsContact C-N 3.3Å; H233-V235 PolarHBondContact O-N 3.42Å; H233-C236 WeakPolarHBondContact O-CB 3.34Å; H233-C236 PolarHBondContact O-N 3.36Å; H233-C236 VanDerWaalsContact O-N 3.12Å; H233-L269 HydrophobicContact CB-CD1 4.44Å |
| 234 | A | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.2 | -40.1 | -179 | 0 | 0 | 0 | 0 | 0 | 111.4 | L193 W197 F212 Y230 I231 C236 V237 C238 F261 | L193-A234 HydrophobicContact CD1-CB 3.82Å; L193-A234 HydrophobicContact CD2-CB 4.23Å; W197-A234 HydrophobicContact CH2-CB 4.4Å; W197-A234 HydrophobicContact CZ3-CB 4.3Å; F212-A234 HydrophobicContact CD2-CB 3.91Å; F212-A234 HydrophobicContact CE2-CB 3.86Å; Y230-A234 WeakPolarHBondContact O-CB 3.45Å; Y230-A234 PolarHBondContact O-N 3.34Å; I231-A234 PolarHBondContact O-N 3.1Å; I231-A234 VanDerWaalsContact O-N 3.08Å; A234-C236 PolarHBondContact O-N 3.28Å; A234-V237 PolarHBondContact O-N 2.93Å; A234-C238 WeakPolarHBondContact O-CB 3.33Å; A234-C238 PolarHBondContact O-N 3.32Å; A234-C238 PolarHBondContact O-SG 3.43Å; A234-F261 HydrophobicContact CB-CE1 3.98Å; A234-F261 HydrophobicContact CB-CZ 4.2Å |
| 235 | V | 95.9 | Very high | 95.4 | Very high | 36 Ų | 36 | 38 Ų | 38 | 22% | 0.218 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -32.3 | 176.7 | 176.1 | 0 | 0 | 0 | 0 | 112.5 | F212 Q216 I231 H233 V237 | F212-V235 HydrophobicContact CB-CG2 3.65Å; Q216-V235 HydrophobicContact CB-CG2 4.38Å; Q216-V235 VanDerWaalsContact OE1-CG1 3.29Å; I231-V235 WeakPolarHBondContact O-CG2 3.49Å; I231-V235 PolarHBondContact O-N 2.78Å; I231-V235 VanDerWaalsContact O-N 3.08Å; H233-V235 VanDerWaalsContact C-N 3.3Å; H233-V235 PolarHBondContact O-N 3.42Å; V235-V237 VanDerWaalsContact C-N 3.35Å |
| 236 | C | 92.9 | Very high | 95.4 | Very high | 76 Ų | 76 | 36.1 Ų | 36.1 | 51% | 0.514 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -20.7 | 179.7 | -64.6 | 0 | 0 | 0 | 0 | 114.1 | H233 A234 | H233-C236 WeakPolarHBondContact O-CB 3.34Å; H233-C236 PolarHBondContact O-N 3.36Å; H233-C236 VanDerWaalsContact O-N 3.12Å; A234-C236 PolarHBondContact O-N 3.28Å |
| 237 | V | 95.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127 | -16.3 | -168.4 | -63.3 | 0 | 0 | 0 | 0 | 114.8 | A234 V235 F261 S265 L266 K268 L269 | A234-V237 PolarHBondContact O-N 2.93Å; V235-V237 VanDerWaalsContact C-N 3.35Å; V237-F261 HydrophobicContact CG2-CD1 4.18Å; V237-F261 HydrophobicContact CG2-CE1 4.27Å; V237-S265 WeakPolarHBondContact CG1-O 2.99Å; V237-S265 WeakPolarHBondContact O-CB 3.45Å; V237-L266 HydrophobicContact CB-CD2 3.94Å; V237-L266 HydrophobicContact CG2-CD2 3.94Å; V237-K268 HydrophobicContact CG1-CB 4.32Å; V237-L269 HydrophobicContact CB-CD1 4.47Å; V237-L269 HydrophobicContact CG1-CD1 3.6Å; V237-L269 HydrophobicContact CG1-CD2 4.31Å; V237-L269 HydrophobicContact CG1-CG 3.49Å; V237-L269 VanDerWaalsContact CG1-CG 3.49Å; V237-L269 HydrophobicContact CG2-CD1 4.06Å |
| 238 | C | 97.4 | Very high | 95.5 | Very high | 20 Ų | 20 | 40.7 Ų | 40.7 | 14% | 0.135 | 23% | 0.226 | C | C | . | . | trans | -74.9 | 153.3 | 174.4 | 68.4 | 0 | 0 | 0 | 0 | 110.8 | A234 I259 T260 F261 | A234-C238 WeakPolarHBondContact O-CB 3.33Å; A234-C238 PolarHBondContact O-N 3.32Å; A234-C238 PolarHBondContact O-SG 3.43Å; C238-I259 HydrophobicContact CB-CG2 3.69Å; C238-T260 CarbonylContact C-O 3.54Å; C238-T260 VanDerWaalsContact CA-O 3.27Å; C238-T260 WeakPolarHBondContact CA-O 3.2Å; C238-T260 WeakPolarHBondContact CB-O 3.32Å; C238-F261 HydrophobicContact CB-CD1 3.95Å; C238-F261 HydrophobicContact CB-CE1 3.57Å; C238-F261 HydrophobicContact CB-CZ 4Å | ||
| 239 | E | 96.7 | Very high | 95.5 | Very high | 47 Ų | 47 | 40.6 Ų | 40.6 | 22% | 0.22 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 127.9 | 157.7 | -61.9 | -170.4 | 160.1 | 0 | 0 | 107.6 | W241 I259 T260 K262 | E239-W241 HydrophobicContact CB-CE3 4.47Å; E239-W241 HydrophobicContact CB-CH2 3.2Å; E239-W241 HydrophobicContact CB-CZ2 3.67Å; E239-W241 HydrophobicContact CB-CZ3 3.64Å; E239-W241 HydrophobicContact CG-CH2 4.18Å; E239-W241 HydrophobicContact CG-CZ2 4.47Å; E239-W241 WeakPolarHBondContact O-CZ3 3.43Å; E239-W241 WeakPolarHBondContact OE2-CH2 3.26Å; E239-W241 VanDerWaalsContact OE2-CZ2 3.26Å; E239-W241 WeakPolarHBondContact OE2-CZ2 3.5Å; E239-I259 CarbonylContact O-C 3.31Å; E239-I259 WeakPolarHBondContact O-CA 3.12Å; E239-T260 PolarHBondContact N-O 2.95Å; E239-T260 PolarHBondContact O-N 3.45Å; E239-K262 VanDerWaalsContact CD-CE 3.44Å; E239-K262 VanDerWaalsContact OE1-CD 3.23Å; E239-K262 WeakPolarHBondContact OE1-CD 3.48Å; E239-K262 WeakPolarHBondContact OE1-CE 3.38Å; E239-K262 IonicContact OE1-NZ 2.78Å; E239-K262 PolarHBondContact OE1-NZ 3.37Å; E239-K262 WeakPolarHBondContact OE2-CE 3.42Å; E239-K262 IonicContact OE2-NZ 2.68Å; E239-K262 PolarHBondContact OE2-NZ 3.36Å |
| 240 | E | 97 | Very high | 95.5 | Very high | 42 Ų | 42 | 43.1 Ų | 43.1 | 20% | 0.196 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 128.7 | -175.9 | -176.6 | 178 | 148 | 0 | 0 | 109.4 | S211 F212 A213 A257 L258 I259 | S211-E240 WeakPolarHBondContact CA-OE1 3.42Å; S211-E240 WeakPolarHBondContact CB-OE1 3.46Å; S211-E240 PolarHBondContact OG-OE1 2.94Å; F212-E240 PolarHBondContact N-OE2 3.22Å; A213-E240 PolarHBondContact N-OE2 2.79Å; E240-A257 HydrophobicContact CG-CB 3.64Å; E240-L258 WeakPolarHBondContact CA-O 3.42Å; E240-I259 HydrophobicContact CB-CG1 4.34Å; E240-I259 HydrophobicContact CG-CG1 3.86Å |
| 241 | W | 97 | Very high | 95.3 | Very high | 79 Ų | 79 | 48.3 Ų | 48.3 | 30% | 0.299 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 112.3 | 174.4 | -59.6 | -88.2 | 0 | 0 | 0 | 109.6 | E239 L243 A257 L258 T260 | E239-W241 HydrophobicContact CB-CE3 4.47Å; E239-W241 HydrophobicContact CB-CH2 3.2Å; E239-W241 HydrophobicContact CB-CZ2 3.67Å; E239-W241 HydrophobicContact CB-CZ3 3.64Å; E239-W241 HydrophobicContact CG-CH2 4.18Å; E239-W241 HydrophobicContact CG-CZ2 4.47Å; E239-W241 WeakPolarHBondContact O-CZ3 3.43Å; E239-W241 WeakPolarHBondContact OE2-CH2 3.26Å; E239-W241 VanDerWaalsContact OE2-CZ2 3.26Å; E239-W241 WeakPolarHBondContact OE2-CZ2 3.5Å; W241-L243 PolarHBondContact O-N 2.74Å; W241-A257 WeakPolarHBondContact O-CA 3.35Å; W241-L258 HydrophobicContact CE3-CB 4.48Å; W241-L258 HydrophobicContact CE3-CG 4.32Å; W241-L258 PolarHBondContact N-O 2.94Å; W241-L258 PolarHBondContact O-N 3.43Å; W241-T260 WeakPolarHBondContact CH2-OG1 3.37Å; W241-T260 HydrophobicContact CZ3-CG2 4.06Å; W241-T260 VanDerWaalsContact CZ3-OG1 3.31Å; W241-T260 WeakPolarHBondContact CZ3-OG1 3.24Å |
| 242 | P | 96.9 | Very high | 95.2 | Very high | 92 Ų | 92 | 48.7 Ų | 48.7 | 60% | 0.597 | 27% | 0.266 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 131.8 | 170.4 | -25.2 | 34.7 | 0 | 0 | 0 | 110.3 | ||
| 243 | L | 96.7 | Very high | 95.2 | Very high | 10 Ų | 10 | 48.5 Ų | 48.5 | 5% | 0.052 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -93.1 | 132.6 | 177.2 | -72.7 | 177.8 | 0 | 0 | 0 | 109.1 | W62 I208 W241 C245 T256 L258 | W62-L243 HydrophobicContact CD2-CB 4.17Å; W62-L243 HydrophobicContact CD2-CD1 3.9Å; W62-L243 HydrophobicContact CD2-CD2 4.34Å; W62-L243 HydrophobicContact CD2-CG 4.37Å; W62-L243 HydrophobicContact CE3-CD1 3.91Å; W62-L243 HydrophobicContact CG-CD2 4.13Å; W62-L243 HydrophobicContact CH2-CD1 4.16Å; W62-L243 HydrophobicContact CZ2-CB 3.73Å; W62-L243 HydrophobicContact CZ2-CD1 4.15Å; W62-L243 HydrophobicContact CZ3-CD1 4.03Å; I208-L243 HydrophobicContact CG2-CD1 4.16Å; W241-L243 PolarHBondContact O-N 2.74Å; L243-C245 PolarHBondContact O-N 3.36Å; L243-T256 HydrophobicContact CB-CG2 4.37Å; L243-T256 HydrophobicContact CD1-CG2 4.08Å; L243-T256 PolarHBondContact N-O 3.04Å; L243-L258 HydrophobicContact CD1-CB 4.26Å; L243-L258 HydrophobicContact CD2-CB 4.32Å; L243-L258 HydrophobicContact CG-CB 4.27Å |
| 244 | P | 95.1 | Very high | 95.2 | Very high | 32 Ų | 32 | 49 Ų | 49 | 21% | 0.208 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 140.1 | -175 | 25.1 | -34.1 | 0 | 0 | 0 | 110.8 | F58 E61 W62 | F58-P244 HydrophobicContact CB-CB 4.31Å; F58-P244 HydrophobicContact CB-CG 4.21Å; F58-P244 WeakPolarHBondContact CD2-O 3.46Å; E61-P244 HydrophobicContact CB-CG 3.74Å; E61-P244 HydrophobicContact CG-CG 4.39Å; W62-P244 PolarHBondContact NE1-O 3.14Å |
| 245 | C | 93.3 | Very high | 95.1 | Very high | 36 Ų | 36 | 51.3 Ų | 51.3 | 24% | 0.243 | 28% | 0.282 | C | S | . | . | trans | -132.7 | 120.2 | 178.9 | 175.3 | 0 | 0 | 0 | 0 | 109.3 | L243 L249 F253 | L243-C245 PolarHBondContact O-N 3.36Å; C245-L249 PolarHBondContact SG-O 3.33Å; C245-L249 VanDerWaalsContact SG-O 3.38Å; C245-F253 HydrophobicContact CB-CB 4.21Å; C245-F253 WeakPolarHBondContact CB-O 3.36Å; C245-F253 VanDerWaalsContact SG-C 3.53Å | ||
| 246 | P | 93.5 | Very high | 95.2 | Very high | 37 Ų | 37 | 49.8 Ų | 49.8 | 24% | 0.24 | 27% | 0.273 | C | S | . | . | trans | -70.3 | 149.1 | 176.8 | 29.5 | -33.9 | 0 | 0 | 0 | 110.7 | F58 R248 L249 L250 | F58-P246 HydrophobicContact CD1-CG 3.79Å; F58-P246 HydrophobicContact CE1-CG 3.89Å; F58-P246 HydrophobicContact CG-CG 4.32Å; F58-P246 HydrophobicContact CZ-CG 4.49Å; P246-R248 PolarHBondContact O-N 3.17Å; P246-L249 HydrophobicContact CG-CB 4.05Å; P246-L249 HydrophobicContact CG-CD1 3.71Å; P246-L249 HydrophobicContact CG-CG 3.9Å; P246-L249 PolarHBondContact O-N 3.09Å; P246-L250 PolarHBondContact O-N 3.06Å | ||
| 247 | S | 93.9 | Very high | 95.4 | Very high | 102 Ų | 102 | 46.2 Ų | 46.2 | 71% | 0.713 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -53.2 | -32.5 | -176.7 | 55.7 | 0 | 0 | 0 | 0 | 114.2 | L249 L250 | S247-L249 VanDerWaalsContact C-N 3.28Å; S247-L249 PolarHBondContact O-N 3.2Å; S247-L250 WeakPolarHBondContact O-CD1 3.47Å; S247-L250 WeakPolarHBondContact O-CG 3.42Å |
| 248 | R | 94.1 | Very high | 95.5 | Very high | 131 Ų | 131 | 46.2 Ų | 46.2 | 49% | 0.494 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -72.3 | -14.7 | 178.7 | 79.9 | -170.5 | -176.5 | 86.9 | -5.2 | 114.6 | E52 P246 | E52-R248 IonicContact OE1-CZ 2.61Å; E52-R248 VanDerWaalsContact OE1-CZ 3.23Å; E52-R248 IonicContact OE1-NH1 2.74Å; E52-R248 PolarHBondContact OE1-NH1 2.97Å; E52-R248 IonicContact OE1-NH2 3.78Å; E52-R248 PolarHBondContact OE1-NH2 2.74Å; P246-R248 PolarHBondContact O-N 3.17Å |
| 249 | L | 95.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -120.6 | 19.1 | -178.3 | -54.2 | 176.5 | 0 | 0 | 0 | 111.6 | L53 F58 Y121 C245 P246 S247 D251 I252 F253 | L53-L249 HydrophobicContact CD2-CD1 4.19Å; F58-L249 HydrophobicContact CE1-CD1 3.79Å; F58-L249 HydrophobicContact CZ-CD1 3.78Å; Y121-L249 HydrophobicContact CD1-CD2 4.33Å; Y121-L249 HydrophobicContact CE1-CD2 4.06Å; C245-L249 PolarHBondContact SG-O 3.33Å; C245-L249 VanDerWaalsContact SG-O 3.38Å; P246-L249 HydrophobicContact CG-CB 4.05Å; P246-L249 HydrophobicContact CG-CD1 3.71Å; P246-L249 HydrophobicContact CG-CG 3.9Å; P246-L249 PolarHBondContact O-N 3.09Å; S247-L249 VanDerWaalsContact C-N 3.28Å; S247-L249 PolarHBondContact O-N 3.2Å; L249-D251 VanDerWaalsContact C-N 3.26Å; L249-D251 PolarHBondContact O-N 3.44Å; L249-I252 HydrophobicContact CB-CB 4.44Å; L249-I252 HydrophobicContact CD2-CD1 3.91Å; L249-I252 WeakPolarHBondContact O-CA 3.13Å; L249-I252 WeakPolarHBondContact O-CB 3.46Å; L249-I252 PolarHBondContact O-N 2.96Å; L249-F253 HydrophobicContact CB-CD2 3.86Å; L249-F253 HydrophobicContact CB-CE2 4.39Å; L249-F253 HydrophobicContact CD1-CD2 3.99Å; L249-F253 HydrophobicContact CD1-CE2 3.87Å; L249-F253 PolarHBondContact O-N 3.13Å |
| 250 | L | 94.1 | Very high | 95.6 | Very high | 85 Ų | 85 | 43.7 Ų | 43.7 | 45% | 0.445 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.5 | -41.7 | -179.1 | -78.6 | 169.8 | 0 | 0 | 0 | 111.7 | P246 S247 I252 N254 | P246-L250 PolarHBondContact O-N 3.06Å; S247-L250 WeakPolarHBondContact O-CD1 3.47Å; S247-L250 WeakPolarHBondContact O-CG 3.42Å; L250-I252 PolarHBondContact O-N 3.27Å; L250-I252 VanDerWaalsContact O-N 3.08Å; L250-N254 HydrophobicContact CD2-CB 4.4Å; L250-N254 WeakPolarHBondContact O-CB 3.39Å; L250-N254 PolarHBondContact O-N 2.86Å; L250-N254 PolarHBondContact O-OD1 3.08Å |
| 251 | D | 91.8 | Very high | 95.6 | Very high | 119 Ų | 119 | 42 Ų | 42 | 64% | 0.636 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -68.8 | -1.1 | 176.8 | 30.5 | -48.3 | 0 | 0 | 0 | 113.8 | L249 | L249-D251 VanDerWaalsContact C-N 3.26Å; L249-D251 PolarHBondContact O-N 3.44Å |
| 252 | I | 94.7 | Very high | 95.5 | Very high | 8 Ų | 8 | 42.1 Ų | 42.1 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -118.5 | -46 | 179.9 | -49 | -173.1 | 0 | 0 | 0 | 112.2 | T118 Y121 Q122 H183 L249 L250 | T118-I252 HydrophobicContact CG2-CB 4.32Å; T118-I252 HydrophobicContact CG2-CG1 4.27Å; T118-I252 HydrophobicContact CG2-CG2 4.15Å; Y121-I252 HydrophobicContact CD1-CD1 4.15Å; Y121-I252 HydrophobicContact CD2-CD1 3.7Å; Y121-I252 HydrophobicContact CE2-CD1 4.31Å; Y121-I252 HydrophobicContact CG-CD1 3.61Å; Y121-I252 HydrophobicContact CG-CG2 4.49Å; Q122-I252 HydrophobicContact CG-CG2 4.16Å; H183-I252 PolarHBondContact CD2-O 3.27Å; H183-I252 PolarHBondContact NE2-O 2.92Å; L249-I252 HydrophobicContact CB-CB 4.44Å; L249-I252 HydrophobicContact CD2-CD1 3.91Å; L249-I252 WeakPolarHBondContact O-CA 3.13Å; L249-I252 WeakPolarHBondContact O-CB 3.46Å; L249-I252 PolarHBondContact O-N 2.96Å; L250-I252 PolarHBondContact O-N 3.27Å; L250-I252 VanDerWaalsContact O-N 3.08Å |
| 253 | F | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -125.6 | 15.1 | -171.2 | -53.8 | -60.2 | 0 | 0 | 0 | 113.5 | L53 F58 W62 Q122 M125 M182 C245 L249 T256 | L53-F253 HydrophobicContact CD1-CZ 4.4Å; L53-F253 HydrophobicContact CD2-CE2 4.02Å; L53-F253 HydrophobicContact CD2-CZ 4.37Å; F58-F253 HydrophobicContact CE2-CD2 4.22Å; F58-F253 HydrophobicContact CE2-CE2 4.41Å; F58-F253 HydrophobicContact CZ-CD2 4.15Å; F58-F253 HydrophobicContact CZ-CE2 4.05Å; W62-F253 HydrophobicContact CH2-CD1 4.03Å; W62-F253 HydrophobicContact CH2-CG 4.41Å; W62-F253 HydrophobicContact CZ2-CB 4.31Å; W62-F253 HydrophobicContact CZ2-CG 4.48Å; Q122-F253 HydrophobicContact CG-CE1 4.39Å; M125-F253 HydrophobicContact CB-CE1 3.9Å; M125-F253 HydrophobicContact CB-CZ 3.93Å; M125-F253 HydrophobicContact CE-CE1 4.26Å; M125-F253 HydrophobicContact CE-CE2 4.08Å; M125-F253 HydrophobicContact CE-CZ 3.82Å; M125-F253 HydrophobicContact CG-CE1 4.05Å; M125-F253 HydrophobicContact CG-CZ 4.3Å; M182-F253 HydrophobicContact CE-CD1 3.7Å; C245-F253 HydrophobicContact CB-CB 4.21Å; C245-F253 WeakPolarHBondContact CB-O 3.36Å; C245-F253 VanDerWaalsContact SG-C 3.53Å; L249-F253 HydrophobicContact CB-CD2 3.86Å; L249-F253 HydrophobicContact CB-CE2 4.39Å; L249-F253 HydrophobicContact CD1-CD2 3.99Å; L249-F253 HydrophobicContact CD1-CE2 3.87Å; L249-F253 PolarHBondContact O-N 3.13Å; F253-T256 WeakPolarHBondContact O-CB 3.38Å; F253-T256 PolarHBondContact O-OG1 2.94Å |
| 254 | N | 93.9 | Very high | 95.2 | Very high | 71 Ų | 71 | 45.6 Ų | 45.6 | 38% | 0.38 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 158.8 | 171.8 | 64.6 | -29.5 | 0 | 0 | 0 | 111.4 | H183 L250 T256 | H183-N254 PolarHBondContact CE1-O 3.3Å; H183-N254 VanDerWaalsContact CE1-O 3.32Å; H183-N254 PolarHBondContact CE1-OD1 2.83Å; H183-N254 PolarHBondContact NE2-OD1 3.11Å; L250-N254 HydrophobicContact CD2-CB 4.4Å; L250-N254 WeakPolarHBondContact O-CB 3.39Å; L250-N254 PolarHBondContact O-N 2.86Å; L250-N254 PolarHBondContact O-OD1 3.08Å; N254-T256 PolarHBondContact O-N 3.2Å; N254-T256 PolarHBondContact O-OG1 3.41Å |
| 255 | D | 94.8 | Very high | 95 | Very high | 49 Ų | 49 | 44.5 Ų | 44.5 | 26% | 0.262 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 21.2 | 172.9 | -160.9 | 60.8 | 0 | 0 | 0 | 114.2 | N210 S211 R218 | N210-D255 CarbonylContact C-O 3.49Å; N210-D255 VanDerWaalsContact CA-O 3.3Å; N210-D255 WeakPolarHBondContact CA-O 2.99Å; S211-D255 PolarHBondContact N-O 2.92Å; R218-D255 IonicContact CZ-OD1 3.22Å; R218-D255 IonicContact CZ-OD2 2.84Å; R218-D255 VanDerWaalsContact NH1-CG 3.28Å; R218-D255 IonicContact NH1-OD1 3.23Å; R218-D255 PolarHBondContact NH1-OD1 3.4Å; R218-D255 IonicContact NH1-OD2 2.79Å; R218-D255 PolarHBondContact NH1-OD2 3.15Å; R218-D255 IonicContact NH2-OD1 3.76Å; R218-D255 IonicContact NH2-OD2 2.67Å; R218-D255 PolarHBondContact NH2-OD2 3.07Å |
| 256 | T | 97.4 | Very high | 95.1 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 133.9 | -175.8 | -56.9 | 0 | 0 | 0 | 0 | 110.4 | W62 M182 I208 G209 L243 F253 N254 | W62-T256 HydrophobicContact CH2-CG2 3.71Å; W62-T256 HydrophobicContact CZ2-CG2 4.12Å; M182-T256 HydrophobicContact CE-CG2 3.77Å; M182-T256 WeakPolarHBondContact CE-OG1 3.39Å; M182-T256 HydrophobicContact SD-CG2 3.34Å; M182-T256 WeakPolarHBondContact SD-CG2 3.39Å; I208-T256 HydrophobicContact CG2-CG2 4.1Å; G209-T256 CarbonylContact O-C 3.51Å; G209-T256 WeakPolarHBondContact O-CA 3.49Å; L243-T256 HydrophobicContact CB-CG2 4.37Å; L243-T256 HydrophobicContact CD1-CG2 4.08Å; L243-T256 PolarHBondContact N-O 3.04Å; F253-T256 WeakPolarHBondContact O-CB 3.38Å; F253-T256 PolarHBondContact O-OG1 2.94Å; N254-T256 PolarHBondContact O-N 3.2Å; N254-T256 PolarHBondContact O-OG1 3.41Å |
| 257 | A | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 153.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I208 G209 E240 W241 I259 | I208-A257 WeakPolarHBondContact CA-O 3.32Å; G209-A257 PolarHBondContact N-O 3.07Å; G209-A257 VanDerWaalsContact N-O 3.09Å; G209-A257 PolarHBondContact O-N 2.87Å; E240-A257 HydrophobicContact CG-CB 3.64Å; W241-A257 WeakPolarHBondContact O-CA 3.35Å; A257-I259 HydrophobicContact CB-CG1 4.22Å |
| 258 | L | 98.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 125.7 | 163.1 | 179.5 | 59.4 | 0 | 0 | 0 | 107.8 | R65 L66 V69 T206 I207 I208 E240 W241 L243 | R65-L258 HydrophobicContact CB-CD2 4.3Å; L66-L258 HydrophobicContact CD2-CD1 3.71Å; L66-L258 HydrophobicContact CD2-CD2 4.04Å; L66-L258 HydrophobicContact CD2-CG 4.48Å; V69-L258 HydrophobicContact CB-CD2 4.38Å; V69-L258 HydrophobicContact CG2-CD2 3.69Å; V69-L258 HydrophobicContact CG2-CG 4.5Å; T206-L258 HydrophobicContact CG2-CD1 3.48Å; T206-L258 VanDerWaalsContact CG2-CD1 3.48Å; I207-L258 CarbonylContact O-C 3.53Å; I207-L258 WeakPolarHBondContact O-CA 3.04Å; I208-L258 HydrophobicContact CG1-CD1 3.98Å; E240-L258 WeakPolarHBondContact CA-O 3.42Å; W241-L258 HydrophobicContact CE3-CB 4.48Å; W241-L258 HydrophobicContact CE3-CG 4.32Å; W241-L258 PolarHBondContact N-O 2.94Å; W241-L258 PolarHBondContact O-N 3.43Å; L243-L258 HydrophobicContact CD1-CB 4.26Å; L243-L258 HydrophobicContact CD2-CB 4.32Å; L243-L258 HydrophobicContact CG-CB 4.27Å |
| 259 | I | 98.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 129.1 | -174.4 | -58 | 159.4 | 0 | 0 | 0 | 108.8 | I207 F212 C238 E239 E240 A257 F261 | I207-I259 HydrophobicContact CB-CB 4.18Å; I207-I259 PolarHBondContact N-O 3.01Å; I207-I259 PolarHBondContact O-N 3.4Å; F212-I259 HydrophobicContact CD1-CD1 3.83Å; F212-I259 HydrophobicContact CD2-CD1 4.08Å; F212-I259 HydrophobicContact CD2-CG2 4.06Å; F212-I259 HydrophobicContact CE1-CD1 3.93Å; F212-I259 HydrophobicContact CE2-CD1 4.16Å; F212-I259 HydrophobicContact CE2-CG2 3.9Å; F212-I259 HydrophobicContact CG-CD1 3.92Å; F212-I259 HydrophobicContact CZ-CD1 4.09Å; C238-I259 HydrophobicContact CB-CG2 3.69Å; E239-I259 CarbonylContact O-C 3.31Å; E239-I259 WeakPolarHBondContact O-CA 3.12Å; E240-I259 HydrophobicContact CB-CG1 4.34Å; E240-I259 HydrophobicContact CG-CG1 3.86Å; A257-I259 HydrophobicContact CB-CG1 4.22Å; I259-F261 HydrophobicContact CG2-CE2 4.33Å; I259-F261 HydrophobicContact CG2-CZ 4.31Å |
| 260 | T | 97.8 | Very high | 94.2 | Very high | 13 Ų | 13 | 45.5 Ų | 45.5 | 8% | 0.08 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 169.5 | 176.9 | 68.6 | 0 | 0 | 0 | 0 | 111.4 | V69 T206 C238 E239 W241 | V69-T260 HydrophobicContact CG1-CG2 3.63Å; V69-T260 HydrophobicContact CG2-CG2 4.34Å; T206-T260 HydrophobicContact CG2-CG2 4.18Å; C238-T260 CarbonylContact C-O 3.54Å; C238-T260 VanDerWaalsContact CA-O 3.27Å; C238-T260 WeakPolarHBondContact CA-O 3.2Å; C238-T260 WeakPolarHBondContact CB-O 3.32Å; E239-T260 PolarHBondContact N-O 2.95Å; E239-T260 PolarHBondContact O-N 3.45Å; W241-T260 WeakPolarHBondContact CH2-OG1 3.37Å; W241-T260 HydrophobicContact CZ3-CG2 4.06Å; W241-T260 VanDerWaalsContact CZ3-OG1 3.31Å; W241-T260 WeakPolarHBondContact CZ3-OG1 3.24Å |
| 261 | F | 96.9 | Very high | 93.9 | Very high | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | trans | -129.7 | 104.6 | -177.9 | -61.5 | -89.4 | 0 | 0 | 0 | 111.2 | L193 L202 P203 L205 I207 F212 A234 V237 C238 I259 L266 | L193-F261 HydrophobicContact CD2-CE1 4.41Å; L193-F261 HydrophobicContact CD2-CE2 4.14Å; L193-F261 HydrophobicContact CD2-CZ 3.58Å; L202-F261 HydrophobicContact CB-CB 3.97Å; L202-F261 HydrophobicContact CB-CD1 4.39Å; L202-F261 HydrophobicContact CB-CD2 4.37Å; L202-F261 HydrophobicContact CB-CG 4Å; L202-F261 HydrophobicContact CD1-CD1 4.31Å; L202-F261 WeakPolarHBondContact O-CD2 3.28Å; P203-F261 VanDerWaalsContact CA-O 3.31Å; P203-F261 WeakPolarHBondContact CA-O 3.4Å; L205-F261 HydrophobicContact CB-CD2 4.32Å; L205-F261 HydrophobicContact CB-CE2 4.45Å; I207-F261 HydrophobicContact CD1-CE2 4.33Å; F212-F261 HydrophobicContact CE2-CZ 4.21Å; A234-F261 HydrophobicContact CB-CE1 3.98Å; A234-F261 HydrophobicContact CB-CZ 4.2Å; V237-F261 HydrophobicContact CG2-CD1 4.18Å; V237-F261 HydrophobicContact CG2-CE1 4.27Å; C238-F261 HydrophobicContact CB-CD1 3.95Å; C238-F261 HydrophobicContact CB-CE1 3.57Å; C238-F261 HydrophobicContact CB-CZ 4Å; I259-F261 HydrophobicContact CG2-CE2 4.33Å; I259-F261 HydrophobicContact CG2-CZ 4.31Å; F261-L266 HydrophobicContact CB-CD2 4.23Å; F261-L266 HydrophobicContact CD1-CD2 4.25Å | ||
| 262 | K | 94.3 | Very high | 93.8 | Very high | 83 Ų | 83 | 47 Ų | 47 | 36% | 0.361 | 27% | 0.268 | S | S | . | . | trans | -77.6 | 137.4 | 174.4 | -69.6 | -167.1 | -178.2 | 142.1 | 0 | 111.3 | E239 S264 S265 L266 | E239-K262 VanDerWaalsContact CD-CE 3.44Å; E239-K262 VanDerWaalsContact OE1-CD 3.23Å; E239-K262 WeakPolarHBondContact OE1-CD 3.48Å; E239-K262 WeakPolarHBondContact OE1-CE 3.38Å; E239-K262 IonicContact OE1-NZ 2.78Å; E239-K262 PolarHBondContact OE1-NZ 3.37Å; E239-K262 WeakPolarHBondContact OE2-CE 3.42Å; E239-K262 IonicContact OE2-NZ 2.68Å; E239-K262 PolarHBondContact OE2-NZ 3.36Å; K262-S264 PolarHBondContact O-N 3.04Å; K262-S264 VanDerWaalsContact O-N 3.11Å; K262-S265 WeakPolarHBondContact O-CB 3.19Å; K262-S265 PolarHBondContact O-N 2.81Å; K262-L266 PolarHBondContact O-N 2.72Å | ||
| 263 | P | 93.1 | Very high | 93.4 | Very high | 86 Ų | 86 | 47.6 Ų | 47.6 | 56% | 0.558 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -51.8 | -37.4 | 175.1 | -28.4 | 34.6 | 0 | 0 | 0 | 113.7 | P203 S265 L266 | P203-P263 HydrophobicContact CB-CG 4.15Å; P203-P263 HydrophobicContact CG-CG 3.99Å; P263-S265 VanDerWaalsContact C-N 3.34Å; P263-S265 PolarHBondContact O-N 3.11Å; P263-L266 PolarHBondContact O-N 3.21Å |
| 264 | S | 92.9 | Very high | 93.1 | Very high | 89 Ų | 89 | 49.1 Ų | 49.1 | 62% | 0.622 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -65.3 | -32.7 | 177.7 | 55 | 0 | 0 | 0 | 0 | 113.6 | K262 | K262-S264 PolarHBondContact O-N 3.04Å; K262-S264 VanDerWaalsContact O-N 3.11Å |
| 265 | S | 92.9 | Very high | 92.5 | Very high | 9 Ų | 9 | 47.9 Ų | 47.9 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -74.8 | -29.4 | 176.8 | -69.6 | 0 | 0 | 0 | 0 | 112.3 | V237 K262 P263 C267 K268 | V237-S265 WeakPolarHBondContact CG1-O 2.99Å; V237-S265 WeakPolarHBondContact O-CB 3.45Å; K262-S265 WeakPolarHBondContact O-CB 3.19Å; K262-S265 PolarHBondContact O-N 2.81Å; P263-S265 VanDerWaalsContact C-N 3.34Å; P263-S265 PolarHBondContact O-N 3.11Å; S265-C267 PolarHBondContact O-N 3.09Å; S265-K268 VanDerWaalsContact O-CB 3.3Å; S265-K268 WeakPolarHBondContact O-CB 3.47Å; S265-K268 WeakPolarHBondContact O-CD 3.43Å; S265-K268 VanDerWaalsContact O-CG 3.26Å; S265-K268 WeakPolarHBondContact O-CG 3.23Å; S265-K268 PolarHBondContact O-N 3.43Å; S265-K268 VanDerWaalsContact O-N 3.13Å |
| 266 | L | 93.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.9 | -25.5 | 179.4 | -56.1 | -169.1 | 0 | 0 | 0 | 112.5 | R199 L202 P203 V237 F261 K262 P263 K268 L269 W274 | R199-L266 HydrophobicContact CB-CD1 4.38Å; R199-L266 HydrophobicContact CG-CD1 4.43Å; L202-L266 HydrophobicContact CB-CD1 4.12Å; L202-L266 HydrophobicContact CD1-CD1 4.45Å; L202-L266 HydrophobicContact CD1-CD2 4.08Å; P203-L266 HydrophobicContact CG-CD1 3.96Å; V237-L266 HydrophobicContact CB-CD2 3.94Å; V237-L266 HydrophobicContact CG2-CD2 3.94Å; F261-L266 HydrophobicContact CB-CD2 4.23Å; F261-L266 HydrophobicContact CD1-CD2 4.25Å; K262-L266 PolarHBondContact O-N 2.72Å; P263-L266 PolarHBondContact O-N 3.21Å; L266-K268 PolarHBondContact O-N 2.92Å; L266-K268 VanDerWaalsContact O-N 3.11Å; L266-L269 PolarHBondContact O-N 2.98Å; L266-W274 HydrophobicContact CB-CH2 4.01Å; L266-W274 HydrophobicContact CB-CZ2 3.86Å; L266-W274 HydrophobicContact CD1-CH2 4.2Å; L266-W274 HydrophobicContact CD2-CH2 4.02Å; L266-W274 HydrophobicContact CG-CH2 4.29Å; L266-W274 WeakPolarHBondContact O-CZ2 3.29Å |
| 267 | C | 89.6 | Confident | 90.3 | Very high | 92 Ų | 92 | 56.8 Ų | 56.8 | 62% | 0.622 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -14.3 | 174.5 | -64.8 | 0 | 0 | 0 | 0 | 113.9 | S265 L269 | S265-C267 PolarHBondContact O-N 3.09Å; C267-L269 VanDerWaalsContact C-N 3.28Å; C267-L269 PolarHBondContact O-N 2.65Å |
| 268 | K | 90.4 | Very high | 89.8 | Confident | 141 Ų | 141 | 61.8 Ų | 61.8 | 61% | 0.613 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -23.1 | 176.1 | -62 | 171.1 | -174.8 | 168 | 0 | 112.8 | V237 S265 L266 | V237-K268 HydrophobicContact CG1-CB 4.32Å; S265-K268 VanDerWaalsContact O-CB 3.3Å; S265-K268 WeakPolarHBondContact O-CB 3.47Å; S265-K268 WeakPolarHBondContact O-CD 3.43Å; S265-K268 VanDerWaalsContact O-CG 3.26Å; S265-K268 WeakPolarHBondContact O-CG 3.23Å; S265-K268 PolarHBondContact O-N 3.43Å; S265-K268 VanDerWaalsContact O-N 3.13Å; L266-K268 PolarHBondContact O-N 2.92Å; L266-K268 VanDerWaalsContact O-N 3.11Å |
| 269 | L | 89.2 | Confident | 89.6 | Confident | 19 Ų | 19 | 66 Ų | 66 | 10% | 0.099 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -87.9 | 138.1 | 177.9 | -70.6 | 172.6 | 0 | 0 | 0 | 111.1 | W197 H233 V237 L266 C267 A273 W274 | W197-L269 HydrophobicContact CH2-CD1 4.45Å; W197-L269 HydrophobicContact CZ2-CD1 3.92Å; H233-L269 HydrophobicContact CB-CD1 4.44Å; V237-L269 HydrophobicContact CB-CD1 4.47Å; V237-L269 HydrophobicContact CG1-CD1 3.6Å; V237-L269 HydrophobicContact CG1-CD2 4.31Å; V237-L269 HydrophobicContact CG1-CG 3.49Å; V237-L269 VanDerWaalsContact CG1-CG 3.49Å; V237-L269 HydrophobicContact CG2-CD1 4.06Å; L266-L269 PolarHBondContact O-N 2.98Å; C267-L269 VanDerWaalsContact C-N 3.28Å; C267-L269 PolarHBondContact O-N 2.65Å; L269-A273 HydrophobicContact CB-CB 3.98Å; L269-W274 HydrophobicContact CB-CZ2 3.84Å; L269-W274 HydrophobicContact CD1-CH2 3.99Å; L269-W274 HydrophobicContact CD1-CZ2 3.73Å; L269-W274 HydrophobicContact CG-CZ2 4.35Å |
| 270 | P | 90.2 | Very high | 89.3 | Confident | 78 Ų | 78 | 67 Ų | 67 | 51% | 0.506 | 39% | 0.387 | S | S | . | . | trans | -63.3 | 158.1 | 178.3 | 28.4 | -35.1 | 0 | 0 | 0 | 111.4 | S272 A273 W274 | P270-S272 PolarHBondContact O-N 3.37Å; P270-S272 VanDerWaalsContact O-N 3.13Å; P270-A273 HydrophobicContact CG-CB 4.23Å; P270-A273 VanDerWaalsContact O-CB 3.27Å; P270-A273 WeakPolarHBondContact O-CB 3.42Å; P270-A273 PolarHBondContact O-N 2.71Å; P270-W274 VanDerWaalsContact O-CD1 3.26Å | ||
| 271 | Q | 87.7 | Confident | 88.9 | Confident | 132 Ų | 132 | 72.7 Ų | 72.7 | 62% | 0.617 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -57.1 | -32.5 | 179.9 | -168.8 | 60.4 | 28.5 | 0 | 0 | 112.7 | A273 W274 | Q271-A273 PolarHBondContact O-N 3.42Å; Q271-W274 PolarHBondContact O-N 3.49Å; Q271-W274 VanDerWaalsContact O-N 3.15Å |
| 272 | S | 88.7 | Confident | 88.6 | Confident | 105 Ų | 105 | 73.2 Ų | 73.2 | 73% | 0.734 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -62.7 | -23.7 | 176.2 | 54 | 0 | 0 | 0 | 0 | 114 | P270 W274 | P270-S272 PolarHBondContact O-N 3.37Å; P270-S272 VanDerWaalsContact O-N 3.13Å; S272-W274 PolarHBondContact O-N 3.05Å |
| 273 | A | 87 | Confident | 88.3 | Confident | 20 Ų | 20 | 76.1 Ų | 76.1 | 17% | 0.165 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -72.6 | -13.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | W197 L269 P270 Q271 | W197-A273 PolarHBondContact NE1-O 3.18Å; L269-A273 HydrophobicContact CB-CB 3.98Å; P270-A273 HydrophobicContact CG-CB 4.23Å; P270-A273 VanDerWaalsContact O-CB 3.27Å; P270-A273 WeakPolarHBondContact O-CB 3.42Å; P270-A273 PolarHBondContact O-N 2.71Å; Q271-A273 PolarHBondContact O-N 3.42Å |
| 274 | W | 89.3 | Confident | 88 | Confident | 32 Ų | 32 | 76.9 Ų | 76.9 | 12% | 0.121 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -108.5 | 6.6 | -176 | -53.1 | 102.5 | 0 | 0 | 0 | 113.5 | R199 L202 L266 L269 P270 Q271 S272 | R199-W274 HydrophobicContact CG-CD2 4.03Å; R199-W274 HydrophobicContact CG-CE3 4.23Å; R199-W274 HydrophobicContact CG-CH2 4.4Å; R199-W274 HydrophobicContact CG-CZ2 4.21Å; R199-W274 HydrophobicContact CG-CZ3 4.41Å; L202-W274 HydrophobicContact CD1-CH2 3.83Å; L202-W274 HydrophobicContact CD1-CZ3 3.7Å; L266-W274 HydrophobicContact CB-CH2 4.01Å; L266-W274 HydrophobicContact CB-CZ2 3.86Å; L266-W274 HydrophobicContact CD1-CH2 4.2Å; L266-W274 HydrophobicContact CD2-CH2 4.02Å; L266-W274 HydrophobicContact CG-CH2 4.29Å; L266-W274 WeakPolarHBondContact O-CZ2 3.29Å; L269-W274 HydrophobicContact CB-CZ2 3.84Å; L269-W274 HydrophobicContact CD1-CH2 3.99Å; L269-W274 HydrophobicContact CD1-CZ2 3.73Å; L269-W274 HydrophobicContact CG-CZ2 4.35Å; P270-W274 VanDerWaalsContact O-CD1 3.26Å; Q271-W274 PolarHBondContact O-N 3.49Å; Q271-W274 VanDerWaalsContact O-N 3.15Å; S272-W274 PolarHBondContact O-N 3.05Å |
| 275 | G | 81.8 | Confident | 87.7 | Confident | 44 Ų | 44 | 73.6 Ų | 73.6 | 45% | 0.454 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -67.9 | 176.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A277 | G275-A277 PolarHBondContact O-N 3.05Š|
| 276 | E | 73.8 | Confident | 87.1 | Confident | 207 Ų | 207 | 79 Ų | 79 | 97% | 0.967 | 44% | 0.437 | S | S | * | . | trans | -54.7 | 111.1 | 172.3 | -77.5 | -174.9 | 179.3 | 0 | 0 | 109.9 | ||||
| 277 | A | 73.5 | Confident | 86.7 | Confident | 34 Ų | 34 | 85.4 Ų | 85.4 | 28% | 0.281 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -103.3 | 124.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | W194 Y230 G275 | W194-A277 PolarHBondContact NE1-O 2.99Å; Y230-A277 HydrophobicContact CE1-CB 3.75Å; Y230-A277 WeakPolarHBondContact OH-CB 3.29Å; G275-A277 PolarHBondContact O-N 3.05Å |
| 278 | P | 86.9 | Confident | 86.7 | Confident | 105 Ų | 105 | 83.3 Ų | 83.3 | 68% | 0.682 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 146.7 | -175 | 26.9 | -34.2 | 0 | 0 | 0 | 110.6 | W194 Y230 | W194-P278 PolarHBondContact NE1-O 3.24Å; Y230-P278 PolarHBondContact OH-O 3Å |
| 279 | E | 93.1 | Very high | 86.8 | Confident | 89 Ų | 89 | 81.9 Ų | 81.9 | 42% | 0.416 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 131.1 | 172.1 | -171.9 | 168.8 | 159 | 0 | 0 | 110.3 | K170 W194 Q281 | K170-E279 VanDerWaalsContact CE-OE1 3.25Å; K170-E279 WeakPolarHBondContact CE-OE1 3.12Å; K170-E279 IonicContact NZ-OE1 3.97Å; K170-E279 PolarHBondContact NZ-OE1 3.28Å; W194-E279 HydrophobicContact CD2-CG 4.35Å; W194-E279 VanDerWaalsContact CE2-CA 3.44Å; W194-E279 HydrophobicContact CE3-CG 4.21Å; W194-E279 HydrophobicContact CH2-CB 3.78Å; W194-E279 HydrophobicContact CH2-CG 3.51Å; W194-E279 WeakPolarHBondContact CH2-OE2 3.3Å; W194-E279 HydrophobicContact CZ2-CB 3.43Å; W194-E279 VanDerWaalsContact CZ2-CB 3.43Å; W194-E279 HydrophobicContact CZ2-CG 3.7Å; W194-E279 HydrophobicContact CZ3-CB 4.47Å; W194-E279 HydrophobicContact CZ3-CG 3.8Å; E279-Q281 PolarHBondContact O-N 3.07Å |
| 280 | P | 92.5 | Very high | 86.9 | Confident | 21 Ų | 21 | 82.1 Ų | 82.1 | 14% | 0.136 | 45% | 0.451 | C | S | . | . | P | Polyproline II helix | trans | -54.4 | 129.6 | 177.7 | -26.4 | 32 | 0 | 0 | 0 | 112.5 | N190 W194 Y230 Y282 | N190-P280 WeakPolarHBondContact ND2-CB 3.37Å; N190-P280 VanDerWaalsContact ND2-CG 3.31Å; N190-P280 WeakPolarHBondContact ND2-CG 3.1Å; W194-P280 HydrophobicContact CB-CG 3.96Å; W194-P280 VanDerWaalsContact CG-CD 3.45Å; W194-P280 HydrophobicContact CG-CG 4.11Å; Y230-P280 HydrophobicContact CD2-CG 4.04Å; Y230-P280 HydrophobicContact CE2-CG 3.79Å; P280-Y282 HydrophobicContact CB-CE1 4.09Å; P280-Y282 HydrophobicContact CB-CE2 3.97Å; P280-Y282 WeakPolarHBondContact CB-OH 3.44Å |
| 281 | Q | 88.8 | Confident | 86.9 | Confident | 133 Ų | 133 | 83 Ų | 83 | 62% | 0.621 | 45% | 0.45 | S | S | * | . | trans | -115.5 | 107.9 | 173.7 | -60.8 | -173.1 | 9.8 | 0 | 0 | 109.1 | E279 Q283 | E279-Q281 PolarHBondContact O-N 3.07Å; Q281-Q283 HydrophobicContact CB-CG 4.3Å; Q281-Q283 PolarHBondContact O-N 3.14Å | ||
| 282 | Y | 92.6 | Very high | 86.9 | Confident | 17 Ų | 17 | 82 Ų | 82 | 7% | 0.067 | 45% | 0.445 | C | S | . | . | trans | -83.7 | 35.3 | -174.4 | -56.5 | -71.7 | 0 | 0 | 0 | 113.8 | A187 N190 N191 D227 Y228 P280 H284 C285 L288 | A187-Y282 HydrophobicContact CB-CD1 4.44Å; A187-Y282 HydrophobicContact CB-CD2 4.24Å; A187-Y282 HydrophobicContact CB-CE1 3.95Å; A187-Y282 HydrophobicContact CB-CE2 3.74Å; A187-Y282 PolarHBondContact O-OH 3.47Å; N190-Y282 WeakPolarHBondContact CB-OH 3.45Å; N190-Y282 PolarHBondContact ND2-OH 3.25Å; N191-Y282 WeakPolarHBondContact OD1-CE2 3.5Å; N191-Y282 PolarHBondContact OD1-OH 3.19Å; D227-Y282 WeakPolarHBondContact O-CE1 3.42Å; Y228-Y282 AromaticContact CD1-CE1 3.8Å; Y228-Y282 HydrophobicContact CD1-CE1 3.8Å; Y228-Y282 AromaticContact CE1-CD1 3.89Å; Y228-Y282 HydrophobicContact CE1-CD1 3.89Å; Y228-Y282 AromaticContact CE1-CE1 3.47Å; Y228-Y282 HydrophobicContact CE1-CE1 3.47Å; Y228-Y282 VanDerWaalsContact CE1-CE1 3.47Å; P280-Y282 HydrophobicContact CB-CE1 4.09Å; P280-Y282 HydrophobicContact CB-CE2 3.97Å; P280-Y282 WeakPolarHBondContact CB-OH 3.44Å; Y282-H284 PolarHBondContact O-N 3.13Å; Y282-H284 VanDerWaalsContact O-N 3.07Å; Y282-C285 PolarHBondContact O-N 3.11Å; Y282-C285 VanDerWaalsContact O-N 3.15Å; Y282-L288 HydrophobicContact CD1-CD1 4.1Å; Y282-L288 HydrophobicContact CD2-CD1 4.04Å; Y282-L288 HydrophobicContact CD2-CD2 4.32Å; Y282-L288 HydrophobicContact CG-CD1 3.66Å; Y282-L288 HydrophobicContact CG-CD2 4.28Å | ||
| 283 | Q | 88 | Confident | 86.9 | Confident | 144 Ų | 144 | 82.5 Ų | 82.5 | 67% | 0.673 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -20.9 | -172.8 | -62 | -179.9 | 15.9 | 0 | 0 | 113.7 | Q281 | Q281-Q283 HydrophobicContact CB-CG 4.3Å; Q281-Q283 PolarHBondContact O-N 3.14Å |
| 284 | H | 86 | Confident | 86.4 | Confident | 103 Ų | 103 | 87.4 Ų | 87.4 | 48% | 0.477 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 12 | -177.2 | -51.7 | -62.3 | 0 | 0 | 0 | 113.7 | R226 D227 Y282 P286 | R226-H284 PolarHBondContact NE-CD2 2.87Å; D227-H284 IonicContact OD1-CD2 2.69Å; Y282-H284 PolarHBondContact O-N 3.13Å; Y282-H284 VanDerWaalsContact O-N 3.07Å; H284-P286 VanDerWaalsContact O-CD 3.23Å; H284-P286 WeakPolarHBondContact O-CD 3.27Å |
| 285 | C | 87.2 | Confident | 85.6 | Confident | 20 Ų | 20 | 92 Ų | 92 | 14% | 0.135 | 49% | 0.493 | C | S | . | . | trans | -103.6 | 94 | 179.5 | -70.8 | 0 | 0 | 0 | 0 | 110.1 | Y228 Y282 D287 L288 | Y228-C285 PolarHBondContact OH-SG 3.12Å; Y228-C285 VanDerWaalsContact OH-SG 3.35Å; Y282-C285 PolarHBondContact O-N 3.11Å; Y282-C285 VanDerWaalsContact O-N 3.15Å; C285-D287 VanDerWaalsContact C-N 3.26Å; C285-D287 PolarHBondContact O-N 3.15Å; C285-L288 HydrophobicContact CB-CB 4.13Å; C285-L288 HydrophobicContact CB-CD1 4.24Å | ||
| 286 | P | 79.6 | Confident | 84 | Confident | 121 Ų | 121 | 98.6 Ų | 98.6 | 79% | 0.786 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -29.8 | 179.6 | 27.5 | -34.7 | 0 | 0 | 0 | 112.7 | H284 | H284-P286 VanDerWaalsContact O-CD 3.23Å; H284-P286 WeakPolarHBondContact O-CD 3.27Å |
| 287 | D | 84.9 | Confident | 82.5 | Confident | 137 Ų | 137 | 97 Ų | 97 | 73% | 0.733 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | 53 | 178.6 | -56.9 | -46.6 | 0 | 0 | 0 | 110 | C285 E289 | C285-D287 VanDerWaalsContact C-N 3.26Å; C285-D287 PolarHBondContact O-N 3.15Å; D287-E289 PolarHBondContact O-N 3.03Å |
| 288 | L | 90.4 | Very high | 80.9 | Confident | 47 Ų | 47 | 106.7 Ų | 106.7 | 25% | 0.246 | 54% | 0.536 | C | S | . | . | trans | -70.3 | 110.3 | -179 | -178.7 | 61.3 | 0 | 0 | 0 | 111 | A187 Y282 C285 I290 | A187-L288 HydrophobicContact CB-CD1 3.78Å; Y282-L288 HydrophobicContact CD1-CD1 4.1Å; Y282-L288 HydrophobicContact CD2-CD1 4.04Å; Y282-L288 HydrophobicContact CD2-CD2 4.32Å; Y282-L288 HydrophobicContact CG-CD1 3.66Å; Y282-L288 HydrophobicContact CG-CD2 4.28Å; C285-L288 HydrophobicContact CB-CB 4.13Å; C285-L288 HydrophobicContact CB-CD1 4.24Å; L288-I290 VanDerWaalsContact C-N 3.27Å; L288-I290 HydrophobicContact CD1-CG2 3.74Å; L288-I290 HydrophobicContact CD2-CG2 3.9Å; L288-I290 HydrophobicContact CG-CG2 3.62Å; L288-I290 PolarHBondContact O-N 3.06Å; L288-I290 VanDerWaalsContact O-N 3.08Å | ||
| 289 | E | 91.2 | Very high | 78.5 | Confident | 111 Ų | 111 | 104.9 Ų | 104.9 | 52% | 0.519 | 54% | 0.537 | S | S | . | . | trans | -86 | 52.4 | -177.1 | -64.8 | 163.7 | 152.9 | 0 | 0 | 112.3 | G185 K186 D287 | G185-E289 WeakPolarHBondContact CA-O 3.35Å; K186-E289 IonicContact NZ-OE2 3.78Å; K186-E289 PolarHBondContact NZ-OE2 3.07Å; D287-E289 PolarHBondContact O-N 3.03Å | ||
| 290 | I | 92.2 | Very high | 75.8 | Confident | 25 Ų | 25 | 107.2 Ų | 107.2 | 13% | 0.128 | 56% | 0.557 | C | S | . | * | trans | -147.7 | 136.2 | 171.8 | -173.8 | 170.2 | 0 | 0 | 0 | 110.4 | E168 A187 L188 L288 Q292 | E168-I290 HydrophobicContact CB-CD1 3.99Å; A187-I290 HydrophobicContact CB-CB 4.02Å; A187-I290 HydrophobicContact CB-CD1 4.32Å; A187-I290 HydrophobicContact CB-CG2 3.56Å; L188-I290 HydrophobicContact CD2-CD1 3.6Å; L188-I290 HydrophobicContact CD2-CG1 4.25Å; L188-I290 HydrophobicContact CG-CD1 3.91Å; L188-I290 HydrophobicContact CG-CG1 4.33Å; L288-I290 VanDerWaalsContact C-N 3.27Å; L288-I290 HydrophobicContact CD1-CG2 3.74Å; L288-I290 HydrophobicContact CD2-CG2 3.9Å; L288-I290 HydrophobicContact CG-CG2 3.62Å; L288-I290 PolarHBondContact O-N 3.06Å; L288-I290 VanDerWaalsContact O-N 3.08Å; I290-Q292 HydrophobicContact CG2-CG 4.38Å | ||
| 291 | I | 90 | Very high | 73.2 | Confident | 97 Ų | 97 | 114.6 Ų | 114.6 | 50% | 0.497 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -82.4 | 121.9 | 169.2 | -68.5 | 166 | 0 | 0 | 0 | 107.2 | P145 N166 | P145-I291 HydrophobicContact CB-CB 4.45Å; P145-I291 HydrophobicContact CB-CD1 3.84Å; P145-I291 HydrophobicContact CB-CG2 4.36Å; P145-I291 HydrophobicContact CG-CB 4.13Å; P145-I291 HydrophobicContact CG-CD1 3.44Å; P145-I291 VanDerWaalsContact CG-CD1 3.44Å; P145-I291 HydrophobicContact CG-CG1 4.28Å; N166-I291 PolarHBondContact ND2-O 3.15Å |
| 292 | Q | 88.1 | Confident | 70.7 | Confident | 109 Ų | 109 | 115.6 Ų | 115.6 | 51% | 0.509 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -93.3 | 153.8 | 179 | -64.1 | -175.5 | -54.1 | 0 | 0 | 111.1 | E168 I290 | E168-Q292 WeakPolarHBondContact OE1-CA 3.46Å; E168-Q292 WeakPolarHBondContact OE1-CB 3.18Å; I290-Q292 HydrophobicContact CG2-CG 4.38Å |
| 293 | R | 87.1 | Confident | 68 | Low | 117 Ų | 117 | 123.3 Ų | 123.3 | 44% | 0.442 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 145.7 | 167.5 | -73.1 | -172.1 | -68.6 | -137.3 | 9.2 | 109.3 | N166 E168 T295 | N166-R293 HydrophobicContact CB-CG 3.82Å; N166-R293 VanDerWaalsContact O-CD 3.23Å; N166-R293 WeakPolarHBondContact O-CD 3.35Å; N166-R293 WeakPolarHBondContact O-CG 3.29Å; N166-R293 PolarHBondContact O-NH1 3.33Å; E168-R293 HydrophobicContact CG-CG 4.46Å; E168-R293 PolarHBondContact OE1-N 3.21Å; R293-T295 PolarHBondContact O-N 3.4Å |
| 294 | P | 78.4 | Confident | 65.5 | Low | 123 Ų | 123 | 119.2 Ų | 119.2 | 80% | 0.799 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -56 | 126.3 | 169 | -19.4 | 30.8 | 0 | 0 | 0 | 109 | E296 | P294-E296 PolarHBondContact O-N 3.13Å; P294-E296 VanDerWaalsContact O-N 3.16Å |
| 295 | T | 70.8 | Confident | 63 | Low | 129 Ų | 129 | 121.4 Ų | 121.4 | 79% | 0.791 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 117.1 | 168.1 | -44.9 | 0 | 0 | 0 | 0 | 106.8 | R293 M297 | R293-T295 PolarHBondContact O-N 3.4Å; T295-M297 PolarHBondContact O-N 3.47Å |
| 296 | E | 49.7 | Very low | 60.4 | Low | 181 Ų | 181 | 126.1 Ų | 126.1 | 85% | 0.846 | 67% | 0.674 | S | S | * | * | trans | -57.3 | 110.3 | 165.2 | -74 | -176.3 | 170.4 | 0 | 0 | 106.8 | P294 R298 | P294-E296 PolarHBondContact O-N 3.13Å; P294-E296 VanDerWaalsContact O-N 3.16Å; E296-R298 VanDerWaalsContact C-N 3.34Å; E296-R298 PolarHBondContact O-N 3.33Å | ||
| 297 | M | 40.8 | Very low | 58.1 | Low | 175 Ų | 175 | 125.9 Ų | 125.9 | 86% | 0.862 | 67% | 0.67 | S | S | * | * | trans | -59.4 | 105.6 | 167.1 | -70 | -119.4 | -71.9 | 0 | 0 | 105.6 | T295 G299 | T295-M297 PolarHBondContact O-N 3.47Å; M297-G299 PolarHBondContact O-N 3.37Å | ||
| 298 | R | 40.4 | Very low | 55.6 | Low | 236 Ų | 236 | 124.8 Ų | 124.8 | 89% | 0.891 | 67% | 0.668 | S | S | * | * | trans | -48.8 | 119.5 | 164.2 | -78.3 | -175.4 | -173.1 | -150.3 | 0.8 | 105.8 | E296 V300 | E296-R298 VanDerWaalsContact C-N 3.34Å; E296-R298 PolarHBondContact O-N 3.33Å; R298-V300 PolarHBondContact O-N 3.44Å | ||
| 299 | G | 36.2 | Very low | 52.7 | Low | 68 Ų | 68 | 127.2 Ų | 127.2 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | trans | -45.5 | 117.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | M297 E301 | M297-G299 PolarHBondContact O-N 3.37Å; G299-E301 VanDerWaalsContact C-N 3.3Å; G299-E301 PolarHBondContact O-N 3.07Å; G299-E301 VanDerWaalsContact O-N 3.1Å | ||
| 300 | V | 37.1 | Very low | 49.9 | Very low | 137 Ų | 137 | 128 Ų | 128 | 83% | 0.83 | 70% | 0.701 | S | S | * | * | trans | -64.2 | 107.9 | 153.4 | 179.3 | 0 | 0 | 0 | 0 | 103 | R298 D302 | R298-V300 PolarHBondContact O-N 3.44Å; V300-D302 PolarHBondContact O-N 3.5Å; V300-D302 VanDerWaalsContact O-N 3.13Å | ||
| 301 | E | 37.9 | Very low | 47.3 | Very low | 177 Ų | 177 | 132.9 Ų | 132.9 | 83% | 0.827 | 73% | 0.732 | S | S | * | * | trans | -49.8 | 121.6 | 169.6 | -69.1 | 176.5 | 154.4 | 0 | 0 | 107.1 | G299 E303 | G299-E301 VanDerWaalsContact C-N 3.3Å; G299-E301 PolarHBondContact O-N 3.07Å; G299-E301 VanDerWaalsContact O-N 3.1Å; E301-E303 PolarHBondContact O-N 2.9Å | ||
| 302 | D | 36.8 | Very low | 44.6 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -63.3 | 85.4 | 174.9 | -169.2 | 27.6 | 0 | 0 | 0 | 107.2 | V300 G304 | V300-D302 PolarHBondContact O-N 3.5Å; V300-D302 VanDerWaalsContact O-N 3.13Å; D302-G304 VanDerWaalsContact C-N 3.31Å; D302-G304 PolarHBondContact O-N 3.28Å | ||
| 303 | E | 35.9 | Very low | 42.2 | Very low | 180 Ų | 180 | 134.1 Ų | 134.1 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | trans | -63.6 | 101.3 | 164 | -79.7 | -145 | 155.4 | 0 | 0 | 107 | E301 I305 | E301-E303 PolarHBondContact O-N 2.9Å; E303-I305 PolarHBondContact O-N 3.3Å | ||
| 304 | G | 34.5 | Very low | 39.8 | Very low | 57 Ų | 57 | 137.1 Ų | 137.1 | 59% | 0.588 | 78% | 0.777 | S | S | * | * | trans | -45.7 | 111.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D302 T306 | D302-G304 VanDerWaalsContact C-N 3.31Å; D302-G304 PolarHBondContact O-N 3.28Å; G304-T306 VanDerWaalsContact C-N 3.29Å; G304-T306 PolarHBondContact O-N 3.17Å | ||
| 305 | I | 34.6 | Very low | 37.7 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -69.3 | 94.7 | 160.9 | -63.3 | 172.6 | 0 | 0 | 0 | 106.5 | E303 V307 | E303-I305 PolarHBondContact O-N 3.3Å; I305-V307 HydrophobicContact CG2-CG2 4.05Å; I305-V307 PolarHBondContact O-N 3.04Å | ||
| 306 | T | 31.1 | Very low | 36 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | trans | -68.8 | 99.2 | 166.3 | -55.7 | 0 | 0 | 0 | 0 | 107.5 | G304 V308 | G304-T306 VanDerWaalsContact C-N 3.29Å; G304-T306 PolarHBondContact O-N 3.17Å; T306-V308 HydrophobicContact CG2-CG2 4.1Å; T306-V308 PolarHBondContact O-N 3.2Å; T306-V308 VanDerWaalsContact O-N 3.07Å | ||
| 307 | V | 32 | Very low | 35.5 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 70% | 0.697 | 82% | 0.821 | S | S | * | * | trans | -72.5 | 98.5 | 169.7 | -176.7 | 0 | 0 | 0 | 0 | 107.7 | I305 S309 | I305-V307 HydrophobicContact CG2-CG2 4.05Å; I305-V307 PolarHBondContact O-N 3.04Å; V307-S309 PolarHBondContact O-N 3.41Å | ||
| 308 | V | 31.5 | Very low | 35.2 | Very low | 114 Ų | 114 | 142.2 Ų | 142.2 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | trans | -77.5 | 101.6 | 169.1 | -177.9 | 0 | 0 | 0 | 0 | 108 | T306 V310 | T306-V308 HydrophobicContact CG2-CG2 4.1Å; T306-V308 PolarHBondContact O-N 3.2Å; T306-V308 VanDerWaalsContact O-N 3.07Å; V308-V310 PolarHBondContact O-N 3.44Å; V308-V310 VanDerWaalsContact O-N 3.15Å | ||
| 309 | S | 31.1 | Very low | 34.9 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 69% | 0.692 | 82% | 0.816 | S | S | * | * | trans | -70.5 | 101.3 | 173.1 | -42.3 | 0 | 0 | 0 | 0 | 109.9 | V307 V311 | V307-S309 PolarHBondContact O-N 3.41Å; S309-V311 PolarHBondContact O-N 3.22Å | ||
| 310 | V | 32.6 | Very low | 34.8 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | -79.7 | 109.3 | 168 | -178.5 | 0 | 0 | 0 | 0 | 108 | V308 | V308-V310 PolarHBondContact O-N 3.44Å; V308-V310 VanDerWaalsContact O-N 3.15Å | ||
| 311 | V | 35.7 | Very low | 34.7 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 123.9 | 175 | -169.2 | 0 | 0 | 0 | 0 | 108.6 | S309 S313 | S309-V311 PolarHBondContact O-N 3.22Å; V311-S313 PolarHBondContact O-N 3.46Å |
| 312 | P | 33.6 | Very low | 34.5 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 127.7 | 174.1 | -9.3 | 25.4 | 0 | 0 | 0 | 110.2 | ||
| 313 | S | 38.9 | Very low | 34.3 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 118.7 | 166.6 | 57.8 | 0 | 0 | 0 | 0 | 109.6 | V311 | V311-S313 PolarHBondContact O-N 3.46Š|
| 314 | E | 35.3 | Very low | 34.2 | Very low | 181 Ų | 181 | 135.1 Ų | 135.1 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | -159.6 | 119.2 | 149.7 | -114.7 | 172.9 | -166.4 | 0 | 0 | 113.5 | ||||
| 315 | M | 36.1 | Very low | 34.2 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | trans | 32.6 | 118.5 | 142.6 | -63.6 | -159 | -165.6 | 0 | 0 | 121.3 | ||||
| 316 | R | 34.8 | Very low | 34.2 | Very low | 249 Ų | 249 | 140.4 Ų | 140.4 | 94% | 0.94 | 84% | 0.844 | S | S | * | * | 174.4 | 130.3 | 111.7 | -88.5 | 159.7 | -153.3 | -108.7 | 4.3 | 105.3 | |||||
| 317 | G | 37.7 | Very low | 34.5 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 100% | 1.608 | 85% | 0.854 | S | S | * | * | 113.9 | 0 | 67.3 | 0 | 0 | 0 | 0 | 0 | 106.2 |
Retrieved 317 of 317 residues in 1876.1 ms
(Link to these results)