| 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 | 42.7 | Very low | 34.9 | Very low | 245 Ų | 245 | 134.2 Ų | 134.2 | 100% | 1.207 | 87% | 0.87 | S | S | * | * | 0 | 109 | 0 | -76.7 | -177.4 | -166.7 | 0 | 0 | 106.7 | |||||
| 2 | E | 32 | Very low | 37.2 | Very low | 198 Ų | 198 | 130.9 Ų | 130.9 | 93% | 0.925 | 86% | 0.863 | S | S | * | * | trans | -166.2 | 117.7 | 156.8 | -112.9 | 170.2 | -168.6 | 0 | 0 | 106.2 | ||||
| 3 | G | 32.7 | Very low | 39.9 | Very low | 79 Ų | 79 | 129.9 Ų | 129.9 | 81% | 0.814 | 84% | 0.839 | S | S | * | * | trans | -83.1 | 135.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 4 | T | 32 | Very low | 43.3 | Very low | 142 Ų | 142 | 125.5 Ų | 125.5 | 87% | 0.871 | 81% | 0.811 | S | S | * | * | trans | -93.1 | 108.4 | 164.5 | 35.6 | 0 | 0 | 0 | 0 | 109.2 | K6 | T4-K6 PolarHBondContact O-N 2.84Š| ||
| 5 | S | 30.8 | Very low | 46.7 | Very low | 116 Ų | 116 | 118.5 Ų | 118.5 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | -60 | 115.7 | 170.3 | 55.9 | 0 | 0 | 0 | 0 | 110.3 | S7 | S5-S7 PolarHBondContact O-N 2.89Å; S5-S7 VanDerWaalsContact O-N 3.14Å | ||
| 6 | K | 33.5 | Very low | 49.8 | Very low | 209 Ų | 209 | 111.1 Ų | 111.1 | 91% | 0.909 | 72% | 0.719 | S | S | * | * | trans | -67.7 | 104.5 | 163.6 | -77.9 | -178.7 | 175.6 | 178.7 | 0 | 108.5 | T4 G8 | T4-K6 PolarHBondContact O-N 2.84Å; K6-G8 PolarHBondContact O-N 2.91Å | ||
| 7 | S | 34.4 | Very low | 52.6 | Low | 114 Ų | 114 | 104.6 Ų | 104.6 | 80% | 0.797 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 116.1 | 162.4 | 55.1 | 0 | 0 | 0 | 0 | 108.4 | S5 A9 | S5-S7 PolarHBondContact O-N 2.89Å; S5-S7 VanDerWaalsContact O-N 3.14Å; S7-A9 PolarHBondContact O-N 3.24Å |
| 8 | G | 29.7 | Very low | 55.1 | Low | 77 Ų | 77 | 100.9 Ų | 100.9 | 79% | 0.794 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 119.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | K6 A10 | K6-G8 PolarHBondContact O-N 2.91Å; G8-A10 PolarHBondContact O-N 2.73Å |
| 9 | A | 34.6 | Very low | 57.2 | Low | 98 Ų | 98 | 101.6 Ų | 101.6 | 81% | 0.81 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 120.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | S7 A11 | S7-A9 PolarHBondContact O-N 3.24Å; A9-A11 PolarHBondContact O-N 3.34Å |
| 10 | A | 36.4 | Very low | 59.2 | Low | 97 Ų | 97 | 97.6 Ų | 97.6 | 80% | 0.802 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 123.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | G8 A12 | G8-A10 PolarHBondContact O-N 2.73Å; A10-A12 PolarHBondContact O-N 3.2Å |
| 11 | A | 45.6 | Very low | 60.9 | Low | 101 Ų | 101 | 95.4 Ų | 95.4 | 84% | 0.835 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 121.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | A9 E13 | A9-A11 PolarHBondContact O-N 3.34Å; A11-E13 PolarHBondContact O-N 3.43Å |
| 12 | A | 61.6 | Low | 63.5 | Low | 95 Ų | 95 | 83.7 Ų | 83.7 | 79% | 0.785 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 134.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | A10 | A10-A12 PolarHBondContact O-N 3.2Š|
| 13 | E | 73.4 | Confident | 66.5 | Low | 118 Ų | 118 | 76.9 Ų | 76.9 | 55% | 0.551 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -55 | 138.6 | 176.4 | -70 | -171.6 | 156.9 | 0 | 0 | 110.3 | A11 | A11-E13 PolarHBondContact O-N 3.43Š|
| 14 | P | 86.6 | Confident | 69.5 | Low | 68 Ų | 68 | 78.3 Ų | 78.3 | 44% | 0.442 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 142.3 | 177.3 | 25.2 | -32.7 | 0 | 0 | 0 | 109.8 | L59 H60 | P14-L59 HydrophobicContact CB-CD1 4.16Å; P14-L59 HydrophobicContact CB-CD2 4.34Å; P14-L59 HydrophobicContact CB-CG 4.28Å; P14-H60 PolarHBondContact O-CE1 2.92Å |
| 15 | S | 94.6 | Very high | 72.6 | Confident | 21 Ų | 21 | 71.6 Ų | 71.6 | 15% | 0.147 | 47% | 0.466 | C | S | . | . | trans | -137.3 | 143.4 | 177.2 | 61.9 | 0 | 0 | 0 | 0 | 110.9 | A17 A18 D68 | S15-A17 PolarHBondContact O-N 3.31Å; S15-A18 PolarHBondContact O-N 3.44Å; S15-A18 VanDerWaalsContact O-N 3.15Å; S15-A18 WeakPolarHBondContact OG-CB 3.49Å; S15-A18 PolarHBondContact OG-N 3.5Å; S15-D68 WeakPolarHBondContact CA-OD2 3.42Å | ||
| 16 | V | 96.9 | Very high | 75.8 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -59.2 | -40.2 | 176.8 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | A18 Q19 V20 W52 F55 H56 L59 D68 | V16-A18 PolarHBondContact O-N 2.89Å; V16-Q19 PolarHBondContact O-N 3.2Å; V16-V20 HydrophobicContact CG1-CG2 3.61Å; V16-V20 WeakPolarHBondContact O-CG2 3.46Å; V16-V20 PolarHBondContact O-N 3.38Å; V16-W52 HydrophobicContact CB-CD2 4.41Å; V16-W52 HydrophobicContact CB-CH2 4.41Å; V16-W52 HydrophobicContact CB-CZ2 3.78Å; V16-W52 HydrophobicContact CG1-CD2 3.47Å; V16-W52 VanDerWaalsContact CG1-CD2 3.47Å; V16-W52 HydrophobicContact CG1-CE3 3.83Å; V16-W52 HydrophobicContact CG1-CG 4.02Å; V16-W52 HydrophobicContact CG1-CH2 3.91Å; V16-W52 HydrophobicContact CG1-CZ2 3.57Å; V16-W52 HydrophobicContact CG1-CZ3 4Å; V16-F55 HydrophobicContact CB-CD1 4.16Å; V16-F55 HydrophobicContact CB-CE1 4.48Å; V16-F55 HydrophobicContact CG1-CD1 3.66Å; V16-F55 HydrophobicContact CG1-CE1 4.23Å; V16-F55 HydrophobicContact CG2-CD1 3.8Å; V16-F55 HydrophobicContact CG2-CE1 4.29Å; V16-H56 VanDerWaalsContact CG2-CA 3.5Å; V16-H56 HydrophobicContact CG2-CB 3.72Å; V16-L59 HydrophobicContact CG2-CD2 3.96Å; V16-D68 WeakPolarHBondContact CG2-OD2 3.44Å; V16-D68 PolarHBondContact N-OD2 3.14Å |
| 17 | A | 97.2 | Very high | 78.8 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.008 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61 | -28.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | S15 Q19 W52 P72 I151 K152 | S15-A17 PolarHBondContact O-N 3.31Å; A17-Q19 VanDerWaalsContact C-N 3.34Å; A17-W52 HydrophobicContact CB-CH2 3.89Å; A17-W52 HydrophobicContact CB-CZ2 4.31Å; A17-P72 HydrophobicContact CB-CB 3.62Å; A17-P72 HydrophobicContact CB-CG 3.76Å; A17-I151 HydrophobicContact CB-CB 4.43Å; A17-I151 HydrophobicContact CB-CG2 4.26Å; A17-I151 PolarHBondContact O-N 2.9Å; A17-K152 HydrophobicContact CB-CB 4.02Å; A17-K152 PolarHBondContact O-N 3.39Å |
| 18 | A | 96.7 | Very high | 81.8 | Confident | 37 Ų | 37 | 54 Ų | 54 | 31% | 0.306 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -76.4 | -23.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S15 V16 S150 K152 | S15-A18 PolarHBondContact O-N 3.44Å; S15-A18 VanDerWaalsContact O-N 3.15Å; S15-A18 WeakPolarHBondContact OG-CB 3.49Å; S15-A18 PolarHBondContact OG-N 3.5Å; V16-A18 PolarHBondContact O-N 2.89Å; A18-S150 WeakPolarHBondContact O-CB 3.26Å; A18-K152 HydrophobicContact CB-CB 4.26Å; A18-K152 HydrophobicContact CB-CD 3.94Å |
| 19 | Q | 95.9 | Very high | 85.1 | Confident | 115 Ų | 115 | 50.4 Ų | 50.4 | 54% | 0.537 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -97.2 | -21.7 | -177.3 | -57.6 | -59.4 | -28.6 | 0 | 0 | 112.9 | V16 A17 P21 F55 | V16-Q19 PolarHBondContact O-N 3.2Å; A17-Q19 VanDerWaalsContact C-N 3.34Å; Q19-P21 WeakPolarHBondContact O-CD 3.36Å; Q19-F55 HydrophobicContact CB-CE1 3.63Å; Q19-F55 HydrophobicContact CB-CZ 3.73Å; Q19-F55 HydrophobicContact CG-CE1 4.09Å; Q19-F55 HydrophobicContact CG-CZ 4.12Å |
| 20 | V | 96.1 | Very high | 88.1 | Confident | 20 Ų | 20 | 46.9 Ų | 46.9 | 12% | 0.121 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -89.8 | 118.2 | -178.9 | 179.4 | 0 | 0 | 0 | 0 | 110.4 | V16 H24 W52 S150 I151 | V16-V20 HydrophobicContact CG1-CG2 3.61Å; V16-V20 WeakPolarHBondContact O-CG2 3.46Å; V16-V20 PolarHBondContact O-N 3.38Å; V20-H24 HydrophobicContact CG1-CB 4.4Å; V20-W52 HydrophobicContact CB-CZ3 4.18Å; V20-W52 HydrophobicContact CG1-CZ3 4.33Å; V20-W52 HydrophobicContact CG2-CE3 4.23Å; V20-W52 HydrophobicContact CG2-CZ3 4.1Å; V20-S150 WeakPolarHBondContact O-CA 3.09Å; V20-I151 HydrophobicContact CB-CD1 4.02Å; V20-I151 HydrophobicContact CG1-CD1 3.55Å; V20-I151 HydrophobicContact CG1-CG1 4.49Å; V20-I151 PolarHBondContact O-N 3.16Å |
| 21 | P | 95.9 | Very high | 91 | Very high | 52 Ų | 52 | 48.1 Ų | 48.1 | 34% | 0.338 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -60.3 | 138.4 | 174.6 | -23.6 | 34.3 | 0 | 0 | 0 | 111.7 | Q19 L23 H24 | Q19-P21 WeakPolarHBondContact O-CD 3.36Å; P21-L23 PolarHBondContact O-N 3.28Å; P21-H24 WeakPolarHBondContact O-CB 3.41Å; P21-H24 PolarHBondContact O-N 3.28Å |
| 22 | F | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.5 | -32.4 | 176.4 | 179.6 | -117.1 | 0 | 0 | 0 | 112.4 | H24 L25 C26 L76 L149 I151 V154 E188 L192 M195 | F22-H24 PolarHBondContact O-N 3.36Å; F22-L25 HydrophobicContact CD2-CD2 4.35Å; F22-L25 HydrophobicContact CE2-CD2 4.2Å; F22-L25 WeakPolarHBondContact O-CB 3.02Å; F22-L25 PolarHBondContact O-N 3.44Å; F22-L25 VanDerWaalsContact O-N 3.13Å; F22-C26 WeakPolarHBondContact CE1-SG 3.46Å; F22-C26 WeakPolarHBondContact CZ-SG 3.44Å; F22-C26 PolarHBondContact O-N 2.83Å; F22-C26 PolarHBondContact O-SG 3.17Å; F22-C26 VanDerWaalsContact O-SG 3.41Å; F22-L76 HydrophobicContact CD2-CD1 4.49Å; F22-L76 HydrophobicContact CE2-CD1 4.12Å; F22-L149 WeakPolarHBondContact CB-O 3.35Å; F22-L149 PolarHBondContact N-O 2.7Å; F22-I151 HydrophobicContact CD2-CG1 4.31Å; F22-V154 HydrophobicContact CB-CG2 3.9Å; F22-V154 HydrophobicContact CD1-CG2 3.89Å; F22-V154 HydrophobicContact CD2-CB 4.25Å; F22-V154 HydrophobicContact CD2-CG1 4.21Å; F22-V154 HydrophobicContact CD2-CG2 3.9Å; F22-V154 HydrophobicContact CE1-CG2 4.39Å; F22-V154 HydrophobicContact CE2-CG1 4.03Å; F22-V154 HydrophobicContact CE2-CG2 4.4Å; F22-V154 HydrophobicContact CG-CB 4.45Å; F22-V154 HydrophobicContact CG-CG2 3.62Å; F22-V154 HydrophobicContact CZ-CG1 4.33Å; F22-E188 HydrophobicContact CD1-CB 3.84Å; F22-E188 HydrophobicContact CD1-CG 3.67Å; F22-E188 HydrophobicContact CE1-CB 3.73Å; F22-E188 HydrophobicContact CE1-CG 3.98Å; F22-L192 HydrophobicContact CE1-CD1 3.78Å; F22-L192 HydrophobicContact CE1-CD2 3.74Å; F22-L192 HydrophobicContact CE1-CG 3.53Å; F22-L192 HydrophobicContact CE2-CD2 4.45Å; F22-L192 HydrophobicContact CZ-CD1 4.45Å; F22-L192 HydrophobicContact CZ-CD2 3.6Å; F22-L192 HydrophobicContact CZ-CG 3.71Å; F22-M195 HydrophobicContact CE2-CE 3.74Å; F22-M195 HydrophobicContact CE2-SD 3.86Å; F22-M195 HydrophobicContact CZ-CE 3.85Å; F22-M195 HydrophobicContact CZ-SD 3.79Å |
| 23 | L | 95.2 | Very high | 95 | Very high | 54 Ų | 54 | 41.1 Ų | 41.1 | 28% | 0.283 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -54 | -38.7 | 173.1 | -175.3 | 60.3 | 0 | 0 | 0 | 112.6 | P21 L25 C26 T27 L187 E188 | P21-L23 PolarHBondContact O-N 3.28Å; L23-L25 PolarHBondContact O-N 3.1Å; L23-C26 WeakPolarHBondContact O-CB 3.46Å; L23-C26 PolarHBondContact O-N 2.83Å; L23-T27 PolarHBondContact O-N 3.41Å; L23-T27 PolarHBondContact O-OG1 2.73Å; L23-L187 HydrophobicContact CD1-CD2 4.43Å; L23-E188 HydrophobicContact CB-CG 4.37Å; L23-E188 HydrophobicContact CD1-CG 3.97Å; L23-E188 PolarHBondContact N-OE1 3.42Å; L23-E188 VanDerWaalsContact N-OE1 3.17Å |
| 24 | H | 96 | Very high | 95.9 | Very high | 109 Ų | 109 | 42.8 Ų | 42.8 | 51% | 0.505 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.6 | -41.5 | 179 | -70.8 | -174.8 | 0 | 0 | 0 | 112 | V20 P21 F22 T28 | V20-H24 HydrophobicContact CG1-CB 4.4Å; P21-H24 WeakPolarHBondContact O-CB 3.41Å; P21-H24 PolarHBondContact O-N 3.28Å; F22-H24 PolarHBondContact O-N 3.36Å; H24-T28 WeakPolarHBondContact O-CB 3.31Å; H24-T28 PolarHBondContact O-N 2.99Å; H24-T28 VanDerWaalsContact O-N 3.08Å; H24-T28 PolarHBondContact O-OG1 3.21Å |
| 25 | L | 97.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.8 | -46.8 | 172.6 | 176.9 | 60.4 | 0 | 0 | 0 | 110.3 | F22 L23 T27 T28 L29 F48 L76 I77 I151 M195 | F22-L25 HydrophobicContact CD2-CD2 4.35Å; F22-L25 HydrophobicContact CE2-CD2 4.2Å; F22-L25 WeakPolarHBondContact O-CB 3.02Å; F22-L25 PolarHBondContact O-N 3.44Å; F22-L25 VanDerWaalsContact O-N 3.13Å; L23-L25 PolarHBondContact O-N 3.1Å; L25-T27 PolarHBondContact O-N 2.92Å; L25-T28 WeakPolarHBondContact O-CB 3.2Å; L25-T28 PolarHBondContact O-N 3.14Å; L25-T28 VanDerWaalsContact O-N 3.15Å; L25-L29 HydrophobicContact CD1-CD1 4.2Å; L25-L29 HydrophobicContact CD1-CD2 4.48Å; L25-L29 HydrophobicContact CD1-CG 4.12Å; L25-L29 HydrophobicContact CG-CD1 3.99Å; L25-L29 HydrophobicContact CG-CG 4.35Å; L25-L29 VanDerWaalsContact O-CG 3.27Å; L25-L29 WeakPolarHBondContact O-CG 3.48Å; L25-L29 PolarHBondContact O-N 3.21Å; L25-F48 HydrophobicContact CB-CZ 4.24Å; L25-F48 HydrophobicContact CD1-CE1 3.88Å; L25-F48 HydrophobicContact CD1-CZ 3.96Å; L25-L76 HydrophobicContact CD2-CB 4.11Å; L25-L76 HydrophobicContact CD2-CD1 3.98Å; L25-I77 HydrophobicContact CD1-CD1 4.15Å; L25-I77 HydrophobicContact CD1-CG1 4Å; L25-I151 HydrophobicContact CB-CD1 3.97Å; L25-I151 HydrophobicContact CB-CG1 4.4Å; L25-I151 HydrophobicContact CD2-CD1 4.28Å; L25-I151 HydrophobicContact CD2-CG1 4.4Å; L25-M195 HydrophobicContact CD2-CE 4.28Å |
| 26 | C | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.9 | -43 | 179.2 | -69.7 | 0 | 0 | 0 | 0 | 113.2 | F22 L23 T28 L29 E30 E188 W191 | F22-C26 WeakPolarHBondContact CE1-SG 3.46Å; F22-C26 WeakPolarHBondContact CZ-SG 3.44Å; F22-C26 PolarHBondContact O-N 2.83Å; F22-C26 PolarHBondContact O-SG 3.17Å; F22-C26 VanDerWaalsContact O-SG 3.41Å; L23-C26 WeakPolarHBondContact O-CB 3.46Å; L23-C26 PolarHBondContact O-N 2.83Å; C26-T28 VanDerWaalsContact C-N 3.33Å; C26-T28 PolarHBondContact O-N 2.69Å; C26-L29 PolarHBondContact O-N 3.46Å; C26-E30 WeakPolarHBondContact O-CB 3.49Å; C26-E30 PolarHBondContact O-N 2.88Å; C26-E188 HydrophobicContact CB-CG 4.23Å; C26-W191 HydrophobicContact CB-CG 4.32Å; C26-W191 PolarHBondContact O-NE1 2.9Å |
| 27 | T | 96.8 | Very high | 95.8 | Very high | 52 Ų | 52 | 54.8 Ų | 54.8 | 32% | 0.319 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 176 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | L23 L25 E30 K31 | L23-T27 PolarHBondContact O-N 3.41Å; L23-T27 PolarHBondContact O-OG1 2.73Å; L25-T27 PolarHBondContact O-N 2.92Å; T27-E30 PolarHBondContact O-N 3.22Å; T27-K31 WeakPolarHBondContact O-CG 3.36Å; T27-K31 PolarHBondContact O-N 3.42Å |
| 28 | T | 97.8 | Very high | 95.4 | Very high | 19 Ų | 19 | 61.4 Ų | 61.4 | 12% | 0.117 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.6 | -48 | 174.5 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | H24 L25 C26 E30 K31 I32 I44 F48 | H24-T28 WeakPolarHBondContact O-CB 3.31Å; H24-T28 PolarHBondContact O-N 2.99Å; H24-T28 VanDerWaalsContact O-N 3.08Å; H24-T28 PolarHBondContact O-OG1 3.21Å; L25-T28 WeakPolarHBondContact O-CB 3.2Å; L25-T28 PolarHBondContact O-N 3.14Å; L25-T28 VanDerWaalsContact O-N 3.15Å; C26-T28 VanDerWaalsContact C-N 3.33Å; C26-T28 PolarHBondContact O-N 2.69Å; T28-E30 VanDerWaalsContact C-N 3.31Å; T28-E30 PolarHBondContact O-N 3.36Å; T28-K31 WeakPolarHBondContact O-CB 3.49Å; T28-K31 PolarHBondContact O-N 2.91Å; T28-I32 HydrophobicContact CG2-CD1 4.09Å; T28-I32 WeakPolarHBondContact O-CG1 3.4Å; T28-I32 PolarHBondContact O-N 3.17Å; T28-I44 HydrophobicContact CG2-CG2 3.97Å; T28-F48 HydrophobicContact CG2-CB 3.72Å; T28-F48 HydrophobicContact CG2-CD2 4.21Å; T28-F48 HydrophobicContact CG2-CG 3.94Å; T28-F48 WeakPolarHBondContact OG1-CD2 3.35Å |
| 29 | L | 98 | Very high | 95.3 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62 | -37.5 | 177.1 | -65.5 | 173.3 | 0 | 0 | 0 | 112.2 | L25 C26 I32 Q33 I77 W191 M195 M200 L202 | L25-L29 HydrophobicContact CD1-CD1 4.2Å; L25-L29 HydrophobicContact CD1-CD2 4.48Å; L25-L29 HydrophobicContact CD1-CG 4.12Å; L25-L29 HydrophobicContact CG-CD1 3.99Å; L25-L29 HydrophobicContact CG-CG 4.35Å; L25-L29 VanDerWaalsContact O-CG 3.27Å; L25-L29 WeakPolarHBondContact O-CG 3.48Å; L25-L29 PolarHBondContact O-N 3.21Å; C26-L29 PolarHBondContact O-N 3.46Å; L29-I32 PolarHBondContact O-N 3.4Å; L29-Q33 WeakPolarHBondContact O-CB 3.17Å; L29-Q33 PolarHBondContact O-N 2.86Å; L29-I77 HydrophobicContact CD2-CG1 4.3Å; L29-W191 HydrophobicContact CB-CD2 3.81Å; L29-W191 HydrophobicContact CB-CE3 3.97Å; L29-W191 HydrophobicContact CB-CH2 3.77Å; L29-W191 HydrophobicContact CB-CZ2 3.62Å; L29-W191 HydrophobicContact CB-CZ3 3.94Å; L29-W191 HydrophobicContact CD1-CD2 3.98Å; L29-W191 HydrophobicContact CD1-CE3 3.86Å; L29-W191 HydrophobicContact CD1-CG 4.32Å; L29-W191 HydrophobicContact CD1-CZ3 4.38Å; L29-W191 WeakPolarHBondContact O-CZ2 3.22Å; L29-M195 HydrophobicContact CD1-CE 3.67Å; L29-M200 HydrophobicContact CD1-CE 3.67Å; L29-M200 HydrophobicContact CD2-CE 4.33Å; L29-L202 HydrophobicContact CB-CD2 4.2Å; L29-L202 HydrophobicContact CD2-CD1 3.9Å; L29-L202 HydrophobicContact CD2-CD2 3.85Å |
| 30 | E | 96.9 | Very high | 95.2 | Very high | 24 Ų | 24 | 62 Ų | 62 | 11% | 0.112 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 175.1 | -167.5 | 67 | -166.5 | 0 | 0 | 112 | C26 T27 T28 Q33 K34 L187 K190 W191 | C26-E30 WeakPolarHBondContact O-CB 3.49Å; C26-E30 PolarHBondContact O-N 2.88Å; T27-E30 PolarHBondContact O-N 3.22Å; T28-E30 VanDerWaalsContact C-N 3.31Å; T28-E30 PolarHBondContact O-N 3.36Å; E30-Q33 PolarHBondContact O-N 3.28Å; E30-K34 HydrophobicContact CG-CD 4.34Å; E30-K34 WeakPolarHBondContact O-CB 3.4Å; E30-K34 WeakPolarHBondContact O-CG 3.49Å; E30-K34 PolarHBondContact O-N 3.45Å; E30-K34 WeakPolarHBondContact OE1-CE 3.48Å; E30-K34 IonicContact OE1-NZ 2.92Å; E30-L187 HydrophobicContact CB-CD1 4.39Å; E30-L187 HydrophobicContact CG-CD1 4.18Å; E30-K190 VanDerWaalsContact CD-NZ 3.29Å; E30-K190 IonicContact OE1-NZ 3.08Å; E30-K190 PolarHBondContact OE1-NZ 2.64Å; E30-K190 IonicContact OE2-NZ 2.63Å; E30-K190 PolarHBondContact OE2-NZ 3.05Å; E30-W191 HydrophobicContact CB-CZ2 4.44Å; E30-W191 WeakPolarHBondContact OE2-CZ2 3.2Å; E30-W191 PolarHBondContact OE2-NE1 2.77Å |
| 31 | K | 97.4 | Very high | 95.3 | Very high | 123 Ų | 123 | 61.9 Ų | 61.9 | 54% | 0.535 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.2 | -48.6 | 173.2 | -71.8 | 174.9 | 179.9 | -179.7 | 0 | 110.9 | T27 T28 Q33 K34 S35 I44 | T27-K31 WeakPolarHBondContact O-CG 3.36Å; T27-K31 PolarHBondContact O-N 3.42Å; T28-K31 WeakPolarHBondContact O-CB 3.49Å; T28-K31 PolarHBondContact O-N 2.91Å; K31-Q33 VanDerWaalsContact C-N 3.34Å; K31-Q33 PolarHBondContact O-N 3.05Å; K31-K34 PolarHBondContact O-N 2.94Å; K31-S35 PolarHBondContact O-N 3.16Å; K31-S35 VanDerWaalsContact O-N 3.09Å; K31-S35 PolarHBondContact O-OG 3.08Å; K31-S35 VanDerWaalsContact O-OG 3.1Å; K31-I44 HydrophobicContact CB-CD1 4.16Å; K31-I44 HydrophobicContact CB-CG2 3.99Å |
| 32 | I | 96.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.5 | -48.3 | 176.5 | -67.7 | 168 | 0 | 0 | 0 | 110.4 | T28 L29 K34 S35 K41 I44 L45 L202 | T28-I32 HydrophobicContact CG2-CD1 4.09Å; T28-I32 WeakPolarHBondContact O-CG1 3.4Å; T28-I32 PolarHBondContact O-N 3.17Å; L29-I32 PolarHBondContact O-N 3.4Å; I32-K34 PolarHBondContact O-N 3.05Å; I32-S35 PolarHBondContact O-N 3.44Å; I32-K41 HydrophobicContact CG2-CB 4.08Å; I32-K41 HydrophobicContact CG2-CD 4.48Å; I32-K41 HydrophobicContact CG2-CG 4.13Å; I32-K41 WeakPolarHBondContact O-CG 3.07Å; I32-K41 PolarHBondContact O-NZ 3.28Å; I32-I44 HydrophobicContact CD1-CG2 4.35Å; I32-I44 HydrophobicContact CG1-CB 3.96Å; I32-I44 HydrophobicContact CG1-CG2 3.65Å; I32-L45 HydrophobicContact CD1-CB 3.92Å; I32-L45 HydrophobicContact CD1-CD1 4.34Å; I32-L202 HydrophobicContact CB-CD2 4.37Å; I32-L202 HydrophobicContact CG2-CB 4.14Å; I32-L202 HydrophobicContact CG2-CD2 4.06Å |
| 33 | Q | 94.8 | Very high | 95.3 | Very high | 47 Ų | 47 | 67.3 Ų | 67.3 | 22% | 0.22 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.8 | -42.6 | -178.9 | 175.4 | 163.9 | 70 | 0 | 0 | 112.5 | L29 E30 K31 K41 W191 R194 K201 | L29-Q33 WeakPolarHBondContact O-CB 3.17Å; L29-Q33 PolarHBondContact O-N 2.86Å; E30-Q33 PolarHBondContact O-N 3.28Å; K31-Q33 VanDerWaalsContact C-N 3.34Å; K31-Q33 PolarHBondContact O-N 3.05Å; Q33-K41 PolarHBondContact O-NZ 2.84Å; Q33-W191 HydrophobicContact CB-CH2 4.08Å; Q33-W191 HydrophobicContact CB-CZ2 4.26Å; Q33-R194 VanDerWaalsContact NE2-CZ 3.3Å; Q33-R194 VanDerWaalsContact NE2-NH2 3.12Å; Q33-K201 PolarHBondContact NE2-O 3.05Å |
| 34 | K | 93.4 | Very high | 95.4 | Very high | 153 Ų | 153 | 66.4 Ų | 66.4 | 67% | 0.665 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -71.5 | -28.1 | -178 | -73.6 | 177.3 | 178.8 | 174.4 | 0 | 114 | E30 K31 I32 | E30-K34 HydrophobicContact CG-CD 4.34Å; E30-K34 WeakPolarHBondContact O-CB 3.4Å; E30-K34 WeakPolarHBondContact O-CG 3.49Å; E30-K34 PolarHBondContact O-N 3.45Å; E30-K34 WeakPolarHBondContact OE1-CE 3.48Å; E30-K34 IonicContact OE1-NZ 2.92Å; K31-K34 PolarHBondContact O-N 2.94Å; I32-K34 PolarHBondContact O-N 3.05Å |
| 35 | S | 94.7 | Very high | 95.5 | Very high | 29 Ų | 29 | 61.4 Ų | 61.4 | 20% | 0.203 | 30% | 0.297 | C | S | . | . | trans | -63 | 138.9 | 176 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | K31 I32 K41 I44 | K31-S35 PolarHBondContact O-N 3.16Å; K31-S35 VanDerWaalsContact O-N 3.09Å; K31-S35 PolarHBondContact O-OG 3.08Å; K31-S35 VanDerWaalsContact O-OG 3.1Å; I32-S35 PolarHBondContact O-N 3.44Å; S35-K41 WeakPolarHBondContact O-CE 3.41Å; S35-K41 PolarHBondContact O-NZ 2.83Å; S35-I44 VanDerWaalsContact OG-CD1 3.24Å; S35-I44 WeakPolarHBondContact OG-CD1 3.48Å | ||
| 36 | K | 89.8 | Confident | 95.5 | Very high | 201 Ų | 201 | 62.4 Ų | 62.4 | 87% | 0.874 | 31% | 0.307 | S | S | * | . | trans | -87.5 | -40.6 | -179.5 | -67.5 | -175.5 | -179.1 | 179.1 | 0 | 112.5 | ||||
| 37 | L | 91 | Very high | 95.6 | Very high | 110 Ų | 110 | 66.5 Ų | 66.5 | 58% | 0.576 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -89.4 | 142.3 | -173.7 | -55.3 | 176.6 | 0 | 0 | 0 | 111.6 | D40 K41 | L37-D40 PolarHBondContact O-N 3.13Å; L37-K41 WeakPolarHBondContact O-CG 3.43Å; L37-K41 PolarHBondContact O-N 2.84Å |
| 38 | R | 88.6 | Confident | 95.6 | Very high | 140 Ų | 140 | 65.1 Ų | 65.1 | 53% | 0.528 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 178.5 | -173.7 | 179.4 | 178.2 | -165 | -3.7 | 113.5 | K41 S42 T208 | R38-K41 PolarHBondContact O-N 3.05Å; R38-S42 PolarHBondContact O-N 2.98Å; R38-S42 PolarHBondContact O-OG 2.88Å; R38-T208 PolarHBondContact NE-OG1 2.97Å; R38-T208 PolarHBondContact NH2-OG1 2.85Å |
| 39 | P | 93.4 | Very high | 95.6 | Very high | 92 Ų | 92 | 64.3 Ų | 64.3 | 60% | 0.597 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -58 | -47.1 | 174.3 | -27.2 | 36.9 | 0 | 0 | 0 | 112.8 | K41 S42 K43 | P39-K41 VanDerWaalsContact C-N 3.34Å; P39-K41 PolarHBondContact O-N 2.89Å; P39-S42 WeakPolarHBondContact O-CB 3.46Å; P39-S42 PolarHBondContact O-N 3.26Å; P39-S42 VanDerWaalsContact O-N 3.07Å; P39-K43 PolarHBondContact O-N 3.07Å |
| 40 | D | 95.6 | Very high | 95.6 | Very high | 73 Ų | 73 | 68.8 Ų | 68.8 | 39% | 0.39 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 179.4 | -55.7 | -19.1 | 0 | 0 | 0 | 112 | L37 S42 K43 I44 | L37-D40 PolarHBondContact O-N 3.13Å; D40-S42 VanDerWaalsContact C-N 3.28Å; D40-S42 PolarHBondContact O-N 3.28Å; D40-K43 PolarHBondContact O-N 2.92Å; D40-I44 WeakPolarHBondContact O-CD1 3.45Å; D40-I44 VanDerWaalsContact O-CG1 3.27Å; D40-I44 WeakPolarHBondContact O-CG1 3.41Å; D40-I44 PolarHBondContact O-N 2.8Å |
| 41 | K | 96.9 | Very high | 95.6 | Very high | 17 Ų | 17 | 71.3 Ų | 71.3 | 7% | 0.074 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.7 | -42.1 | 175.4 | -68.4 | 179.9 | -174.4 | -76.9 | 0 | 111.7 | I32 Q33 S35 L37 R38 P39 L45 L202 V204 | I32-K41 HydrophobicContact CG2-CB 4.08Å; I32-K41 HydrophobicContact CG2-CD 4.48Å; I32-K41 HydrophobicContact CG2-CG 4.13Å; I32-K41 WeakPolarHBondContact O-CG 3.07Å; I32-K41 PolarHBondContact O-NZ 3.28Å; Q33-K41 PolarHBondContact O-NZ 2.84Å; S35-K41 WeakPolarHBondContact O-CE 3.41Å; S35-K41 PolarHBondContact O-NZ 2.83Å; L37-K41 WeakPolarHBondContact O-CG 3.43Å; L37-K41 PolarHBondContact O-N 2.84Å; R38-K41 PolarHBondContact O-N 3.05Å; P39-K41 VanDerWaalsContact C-N 3.34Å; P39-K41 PolarHBondContact O-N 2.89Å; K41-L45 PolarHBondContact O-N 3.24Å; K41-L202 PolarHBondContact NZ-O 3.08Å; K41-V204 HydrophobicContact CB-CG1 3.72Å; K41-V204 HydrophobicContact CD-CG1 3.76Å; K41-V204 HydrophobicContact CG-CG1 4.38Å |
| 42 | S | 95.9 | Very high | 95.7 | Very high | 27 Ų | 27 | 65.8 Ų | 65.8 | 19% | 0.189 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -70.1 | -40.2 | -179 | -52.6 | 0 | 0 | 0 | 0 | 111 | R38 P39 D40 L45 G46 | R38-S42 PolarHBondContact O-N 2.98Å; R38-S42 PolarHBondContact O-OG 2.88Å; P39-S42 WeakPolarHBondContact O-CB 3.46Å; P39-S42 PolarHBondContact O-N 3.26Å; P39-S42 VanDerWaalsContact O-N 3.07Å; D40-S42 VanDerWaalsContact C-N 3.28Å; D40-S42 PolarHBondContact O-N 3.28Å; S42-L45 PolarHBondContact O-N 2.99Å; S42-G46 PolarHBondContact O-N 2.93Å |
| 43 | K | 97.3 | Very high | 95.7 | Very high | 140 Ų | 140 | 67.8 Ų | 67.8 | 61% | 0.609 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.4 | -51.5 | 174.9 | -175.8 | 178.3 | 178.6 | 179 | 0 | 111.9 | P39 D40 L45 G46 D47 | P39-K43 PolarHBondContact O-N 3.07Å; D40-K43 PolarHBondContact O-N 2.92Å; K43-L45 VanDerWaalsContact C-N 3.25Å; K43-L45 PolarHBondContact O-N 2.83Å; K43-G46 WeakPolarHBondContact O-CA 3.12Å; K43-G46 PolarHBondContact O-N 3.19Å; K43-D47 PolarHBondContact O-N 3.46Å |
| 44 | I | 98.1 | Very high | 95.8 | Very high | 34 Ų | 34 | 71.9 Ų | 71.9 | 17% | 0.174 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58 | -40.1 | 179.6 | -65.1 | 158.7 | 0 | 0 | 0 | 111.5 | T28 K31 I32 S35 D40 F48 | T28-I44 HydrophobicContact CG2-CG2 3.97Å; K31-I44 HydrophobicContact CB-CD1 4.16Å; K31-I44 HydrophobicContact CB-CG2 3.99Å; I32-I44 HydrophobicContact CD1-CG2 4.35Å; I32-I44 HydrophobicContact CG1-CB 3.96Å; I32-I44 HydrophobicContact CG1-CG2 3.65Å; S35-I44 VanDerWaalsContact OG-CD1 3.24Å; S35-I44 WeakPolarHBondContact OG-CD1 3.48Å; D40-I44 WeakPolarHBondContact O-CD1 3.45Å; D40-I44 VanDerWaalsContact O-CG1 3.27Å; D40-I44 WeakPolarHBondContact O-CG1 3.41Å; D40-I44 PolarHBondContact O-N 2.8Å; I44-F48 PolarHBondContact O-N 2.97Å |
| 45 | L | 97.7 | Very high | 95.9 | Very high | 5 Ų | 5 | 68.5 Ų | 68.5 | 3% | 0.026 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.5 | -43.1 | 175.5 | 178.3 | 61.2 | 0 | 0 | 0 | 111.8 | I32 K41 S42 K43 F48 I49 I77 V209 V212 | I32-L45 HydrophobicContact CD1-CB 3.92Å; I32-L45 HydrophobicContact CD1-CD1 4.34Å; K41-L45 PolarHBondContact O-N 3.24Å; S42-L45 PolarHBondContact O-N 2.99Å; K43-L45 VanDerWaalsContact C-N 3.25Å; K43-L45 PolarHBondContact O-N 2.83Å; L45-F48 PolarHBondContact O-N 3.03Å; L45-I49 HydrophobicContact CD1-CD1 4.03Å; L45-I49 HydrophobicContact CD1-CG1 4.38Å; L45-I49 HydrophobicContact CG-CD1 3.86Å; L45-I49 WeakPolarHBondContact O-CG1 3.41Å; L45-I49 PolarHBondContact O-N 3.45Å; L45-I77 HydrophobicContact CD1-CD1 4.16Å; L45-V209 HydrophobicContact CD2-CB 4.24Å; L45-V209 HydrophobicContact CD2-CG1 4.12Å; L45-V209 HydrophobicContact CD2-CG2 4Å; L45-V212 HydrophobicContact CB-CG1 4.28Å; L45-V212 HydrophobicContact CD2-CB 4.21Å; L45-V212 HydrophobicContact CD2-CG1 4.11Å; L45-V212 HydrophobicContact CG-CG1 4Å |
| 46 | G | 97.6 | Very high | 96 | Very high | 22 Ų | 22 | 67.9 Ų | 67.9 | 23% | 0.227 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.9 | -47.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | S42 K43 F48 I49 E50 | S42-G46 PolarHBondContact O-N 2.93Å; K43-G46 WeakPolarHBondContact O-CA 3.12Å; K43-G46 PolarHBondContact O-N 3.19Å; G46-F48 VanDerWaalsContact C-N 3.28Å; G46-F48 PolarHBondContact O-N 3.45Å; G46-I49 PolarHBondContact O-N 3.01Å; G46-I49 VanDerWaalsContact O-N 3.13Å; G46-E50 WeakPolarHBondContact O-CB 3.35Å; G46-E50 PolarHBondContact O-N 3.12Å |
| 47 | D | 98 | Very high | 96.2 | Very high | 85 Ų | 85 | 61.3 Ų | 61.3 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.5 | -40.4 | 178.4 | -61.8 | -18.6 | 0 | 0 | 0 | 111.5 | K43 S51 | K43-D47 PolarHBondContact O-N 3.46Å; D47-S51 WeakPolarHBondContact O-CB 3.39Å; D47-S51 PolarHBondContact O-N 3.28Å |
| 48 | F | 98.1 | Very high | 96.4 | Very high | 23 Ų | 23 | 59.6 Ų | 59.6 | 10% | 0.101 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.5 | -42.6 | 176.3 | 179.4 | -100.9 | 0 | 0 | 0 | 112.5 | L25 T28 I44 L45 G46 S51 W52 F70 I151 | L25-F48 HydrophobicContact CB-CZ 4.24Å; L25-F48 HydrophobicContact CD1-CE1 3.88Å; L25-F48 HydrophobicContact CD1-CZ 3.96Å; T28-F48 HydrophobicContact CG2-CB 3.72Å; T28-F48 HydrophobicContact CG2-CD2 4.21Å; T28-F48 HydrophobicContact CG2-CG 3.94Å; T28-F48 WeakPolarHBondContact OG1-CD2 3.35Å; I44-F48 PolarHBondContact O-N 2.97Å; L45-F48 PolarHBondContact O-N 3.03Å; G46-F48 VanDerWaalsContact C-N 3.28Å; G46-F48 PolarHBondContact O-N 3.45Å; F48-S51 PolarHBondContact O-N 3.11Å; F48-W52 HydrophobicContact CE1-CE3 4.41Å; F48-W52 HydrophobicContact CZ-CE3 4.24Å; F48-W52 PolarHBondContact O-N 3.43Å; F48-F70 AromaticContact CD1-CE2 3.99Å; F48-F70 HydrophobicContact CD1-CE2 3.99Å; F48-F70 AromaticContact CD1-CZ 3.92Å; F48-F70 HydrophobicContact CD1-CZ 3.92Å; F48-F70 AromaticContact CE1-CE2 3.67Å; F48-F70 HydrophobicContact CE1-CE2 3.67Å; F48-F70 AromaticContact CE1-CZ 3.8Å; F48-F70 HydrophobicContact CE1-CZ 3.8Å; F48-I151 HydrophobicContact CZ-CD1 4.5Å |
| 49 | I | 98.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 177.2 | -69 | 165.4 | 0 | 0 | 0 | 110.7 | L45 G46 W52 R53 F70 V212 F213 | L45-I49 HydrophobicContact CD1-CD1 4.03Å; L45-I49 HydrophobicContact CD1-CG1 4.38Å; L45-I49 HydrophobicContact CG-CD1 3.86Å; L45-I49 WeakPolarHBondContact O-CG1 3.41Å; L45-I49 PolarHBondContact O-N 3.45Å; G46-I49 PolarHBondContact O-N 3.01Å; G46-I49 VanDerWaalsContact O-N 3.13Å; I49-W52 WeakPolarHBondContact O-CB 3.42Å; I49-W52 PolarHBondContact O-N 3.48Å; I49-R53 WeakPolarHBondContact O-CG 3.32Å; I49-R53 PolarHBondContact O-N 2.8Å; I49-F70 HydrophobicContact CD1-CE1 4.23Å; I49-F70 HydrophobicContact CD1-CZ 4.43Å; I49-F70 HydrophobicContact CG1-CD1 4.46Å; I49-F70 HydrophobicContact CG1-CE1 3.79Å; I49-F70 HydrophobicContact CG1-CE2 4.08Å; I49-F70 HydrophobicContact CG1-CZ 3.57Å; I49-V212 HydrophobicContact CD1-CG1 4.1Å; I49-F213 HydrophobicContact CD1-CB 4.34Å; I49-F213 HydrophobicContact CD1-CD2 4.35Å; I49-F213 HydrophobicContact CG2-CD2 4.1Å |
| 50 | E | 97.5 | Very high | 96.7 | Very high | 96 Ų | 96 | 51.7 Ų | 51.7 | 45% | 0.449 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 178.4 | -166.6 | -170.4 | 153.5 | 0 | 0 | 111.5 | G46 W52 R53 K54 | G46-E50 WeakPolarHBondContact O-CB 3.35Å; G46-E50 PolarHBondContact O-N 3.12Å; E50-W52 VanDerWaalsContact C-N 3.32Å; E50-W52 PolarHBondContact O-N 3.23Å; E50-R53 PolarHBondContact O-N 2.93Å; E50-K54 HydrophobicContact CG-CD 4.47Å; E50-K54 WeakPolarHBondContact O-CG 3.5Å; E50-K54 PolarHBondContact O-N 3.46Å; E50-K54 VanDerWaalsContact OE1-CE 3.27Å; E50-K54 WeakPolarHBondContact OE1-CE 3.48Å; E50-K54 IonicContact OE1-NZ 3.65Å; E50-K54 PolarHBondContact OE1-NZ 3.33Å |
| 51 | S | 97.6 | Very high | 96.5 | Very high | 77 Ų | 77 | 56.3 Ų | 56.3 | 54% | 0.538 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.9 | -43.7 | 173.2 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | D47 F48 R53 K54 F55 | D47-S51 WeakPolarHBondContact O-CB 3.39Å; D47-S51 PolarHBondContact O-N 3.28Å; F48-S51 PolarHBondContact O-N 3.11Å; S51-R53 PolarHBondContact O-N 3.16Å; S51-K54 PolarHBondContact O-N 2.8Å; S51-F55 PolarHBondContact O-N 3.39Å |
| 52 | W | 97.9 | Very high | 96.1 | Very high | 7 Ų | 7 | 63 Ų | 63 | 3% | 0.027 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.5 | -46.5 | 174.2 | -174.4 | -70.6 | 0 | 0 | 0 | 112.3 | V16 A17 V20 F48 I49 E50 F55 H56 F70 S73 I151 | V16-W52 HydrophobicContact CB-CD2 4.41Å; V16-W52 HydrophobicContact CB-CH2 4.41Å; V16-W52 HydrophobicContact CB-CZ2 3.78Å; V16-W52 HydrophobicContact CG1-CD2 3.47Å; V16-W52 VanDerWaalsContact CG1-CD2 3.47Å; V16-W52 HydrophobicContact CG1-CE3 3.83Å; V16-W52 HydrophobicContact CG1-CG 4.02Å; V16-W52 HydrophobicContact CG1-CH2 3.91Å; V16-W52 HydrophobicContact CG1-CZ2 3.57Å; V16-W52 HydrophobicContact CG1-CZ3 4Å; A17-W52 HydrophobicContact CB-CH2 3.89Å; A17-W52 HydrophobicContact CB-CZ2 4.31Å; V20-W52 HydrophobicContact CB-CZ3 4.18Å; V20-W52 HydrophobicContact CG1-CZ3 4.33Å; V20-W52 HydrophobicContact CG2-CE3 4.23Å; V20-W52 HydrophobicContact CG2-CZ3 4.1Å; F48-W52 HydrophobicContact CE1-CE3 4.41Å; F48-W52 HydrophobicContact CZ-CE3 4.24Å; F48-W52 PolarHBondContact O-N 3.43Å; I49-W52 WeakPolarHBondContact O-CB 3.42Å; I49-W52 PolarHBondContact O-N 3.48Å; E50-W52 VanDerWaalsContact C-N 3.32Å; E50-W52 PolarHBondContact O-N 3.23Å; W52-F55 PolarHBondContact O-N 3.18Å; W52-H56 WeakPolarHBondContact O-CB 3.25Å; W52-H56 PolarHBondContact O-N 3.15Å; W52-F70 HydrophobicContact CB-CD2 4.04Å; W52-F70 HydrophobicContact CB-CE2 4.11Å; W52-F70 AromaticContact CD1-CD2 3.77Å; W52-F70 AromaticContact CD2-CD2 3.52Å; W52-F70 HydrophobicContact CD2-CD2 3.52Å; W52-F70 AromaticContact CD2-CE2 3.87Å; W52-F70 HydrophobicContact CD2-CE2 3.87Å; W52-F70 AromaticContact CE2-CD2 3.78Å; W52-F70 HydrophobicContact CE3-CD2 4.05Å; W52-F70 AromaticContact CE3-CE2 3.96Å; W52-F70 HydrophobicContact CE3-CE2 3.96Å; W52-F70 AromaticContact CG-CD2 3.51Å; W52-F70 HydrophobicContact CG-CD2 3.51Å; W52-F70 AromaticContact CG-CE2 3.96Å; W52-F70 HydrophobicContact CG-CE2 3.96Å; W52-F70 HydrophobicContact CZ2-CD2 4.48Å; W52-F70 AromaticContact NE1-CD2 3.93Å; W52-S73 WeakPolarHBondContact CH2-OG 3.37Å; W52-S73 WeakPolarHBondContact CZ3-OG 3.49Å; W52-I151 HydrophobicContact CH2-CD1 4.39Å; W52-I151 HydrophobicContact CZ3-CD1 3.74Å |
| 53 | R | 96.8 | Very high | 95.8 | Very high | 44 Ų | 44 | 64.2 Ų | 64.2 | 17% | 0.166 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 178.7 | -77.8 | 174.2 | 166.8 | 144.9 | -0.6 | 112 | I49 E50 S51 F55 H56 A57 F213 H235 | I49-R53 WeakPolarHBondContact O-CG 3.32Å; I49-R53 PolarHBondContact O-N 2.8Å; E50-R53 PolarHBondContact O-N 2.93Å; S51-R53 PolarHBondContact O-N 3.16Å; R53-F55 VanDerWaalsContact C-N 3.33Å; R53-F55 PolarHBondContact O-N 3.07Å; R53-H56 WeakPolarHBondContact O-CB 3.4Å; R53-H56 PolarHBondContact O-N 2.7Å; R53-A57 WeakPolarHBondContact O-CB 3.46Å; R53-A57 PolarHBondContact O-N 3.07Å; R53-F213 PolarHBondContact NH1-O 2.8Å; R53-F213 PolarHBondContact NH2-O 2.69Å; R53-H235 PolarHBondContact NE-O 3.44Å; R53-H235 PolarHBondContact NH2-O 2.81Å |
| 54 | K | 96.7 | Very high | 94.9 | Very high | 132 Ų | 132 | 63.3 Ų | 63.3 | 57% | 0.574 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.1 | -44.5 | 175.7 | -76.4 | 170.1 | 169.9 | 164.4 | 0 | 111.6 | E50 S51 A58 | E50-K54 HydrophobicContact CG-CD 4.47Å; E50-K54 WeakPolarHBondContact O-CG 3.5Å; E50-K54 PolarHBondContact O-N 3.46Å; E50-K54 VanDerWaalsContact OE1-CE 3.27Å; E50-K54 WeakPolarHBondContact OE1-CE 3.48Å; E50-K54 IonicContact OE1-NZ 3.65Å; E50-K54 PolarHBondContact OE1-NZ 3.33Å; S51-K54 PolarHBondContact O-N 2.8Å; K54-A58 PolarHBondContact O-N 3.33Å; K54-A58 VanDerWaalsContact O-N 3.16Å |
| 55 | F | 96.5 | Very high | 94.3 | Very high | 83 Ų | 83 | 70.6 Ų | 70.6 | 36% | 0.364 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -70 | -38 | 177.9 | -172.7 | -101.9 | 0 | 0 | 0 | 112.6 | V16 Q19 S51 W52 R53 A58 L59 | V16-F55 HydrophobicContact CB-CD1 4.16Å; V16-F55 HydrophobicContact CB-CE1 4.48Å; V16-F55 HydrophobicContact CG1-CD1 3.66Å; V16-F55 HydrophobicContact CG1-CE1 4.23Å; V16-F55 HydrophobicContact CG2-CD1 3.8Å; V16-F55 HydrophobicContact CG2-CE1 4.29Å; Q19-F55 HydrophobicContact CB-CE1 3.63Å; Q19-F55 HydrophobicContact CB-CZ 3.73Å; Q19-F55 HydrophobicContact CG-CE1 4.09Å; Q19-F55 HydrophobicContact CG-CZ 4.12Å; S51-F55 PolarHBondContact O-N 3.39Å; W52-F55 PolarHBondContact O-N 3.18Å; R53-F55 VanDerWaalsContact C-N 3.33Å; R53-F55 PolarHBondContact O-N 3.07Å; F55-A58 PolarHBondContact O-N 3.02Å; F55-L59 HydrophobicContact CE1-CD2 4.24Å; F55-L59 WeakPolarHBondContact O-CB 3.33Å; F55-L59 PolarHBondContact O-N 3.25Å |
| 56 | H | 95.9 | Very high | 94 | Very high | 15 Ų | 15 | 71.6 Ų | 71.6 | 7% | 0.069 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.3 | -49.6 | 172.8 | 179.1 | -80.4 | 0 | 0 | 0 | 111.6 | V16 W52 R53 A58 L59 H60 D68 H235 | V16-H56 VanDerWaalsContact CG2-CA 3.5Å; V16-H56 HydrophobicContact CG2-CB 3.72Å; W52-H56 WeakPolarHBondContact O-CB 3.25Å; W52-H56 PolarHBondContact O-N 3.15Å; R53-H56 WeakPolarHBondContact O-CB 3.4Å; R53-H56 PolarHBondContact O-N 2.7Å; H56-A58 VanDerWaalsContact C-N 3.27Å; H56-A58 PolarHBondContact O-N 3.23Å; H56-L59 PolarHBondContact O-N 3.2Å; H56-H60 AromaticContact CD2-CD2 3.51Å; H56-H60 AromaticContact CD2-NE2 3.93Å; H56-H60 AromaticContact CE1-CD2 3.86Å; H56-H60 AromaticContact CG-CD2 3.83Å; H56-H60 AromaticContact NE2-CD2 3.54Å; H56-H60 PolarHBondContact O-CD2 3.45Å; H56-H60 PolarHBondContact O-N 2.85Å; H56-D68 IonicContact CD2-OD2 3.88Å; H56-D68 PolarHBondContact NE2-O 2.78Å; H56-H235 AromaticContact CD2-CE1 3.74Å; H56-H235 AromaticContact CE1-CE1 3.44Å; H56-H235 PolarHBondContact CE1-CE1 2.85Å; H56-H235 VanDerWaalsContact CE1-CE1 3.44Å; H56-H235 AromaticContact CE1-NE2 3.52Å; H56-H235 AromaticContact CG-CE1 3.49Å; H56-H235 VanDerWaalsContact CG-CE1 3.49Å; H56-H235 AromaticContact CG-NE2 3.9Å; H56-H235 AromaticContact ND1-CE1 3.31Å; H56-H235 PolarHBondContact ND1-CE1 3.17Å; H56-H235 VanDerWaalsContact ND1-CE1 3.31Å; H56-H235 AromaticContact ND1-NE2 3.28Å; H56-H235 PolarHBondContact ND1-NE2 3.36Å; H56-H235 AromaticContact NE2-CE1 3.69Å |
| 57 | A | 94.3 | Very high | 93.7 | Very high | 64 Ų | 64 | 75 Ų | 75 | 53% | 0.529 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.6 | -36.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R53 K61 | R53-A57 WeakPolarHBondContact O-CB 3.46Å; R53-A57 PolarHBondContact O-N 3.07Å; A57-K61 PolarHBondContact O-N 2.88Å |
| 58 | A | 94.9 | Very high | 93.6 | Very high | 73 Ų | 73 | 72 Ų | 72 | 60% | 0.603 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -70.9 | -42.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K54 F55 H56 | K54-A58 PolarHBondContact O-N 3.33Å; K54-A58 VanDerWaalsContact O-N 3.16Å; F55-A58 PolarHBondContact O-N 3.02Å; H56-A58 VanDerWaalsContact C-N 3.27Å; H56-A58 PolarHBondContact O-N 3.23Å |
| 59 | L | 94.9 | Very high | 93.5 | Very high | 55 Ų | 55 | 71.2 Ų | 71.2 | 29% | 0.288 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.6 | -36.5 | -177.9 | -175.1 | 64.5 | 0 | 0 | 0 | 112.6 | P14 V16 F55 H56 | P14-L59 HydrophobicContact CB-CD1 4.16Å; P14-L59 HydrophobicContact CB-CD2 4.34Å; P14-L59 HydrophobicContact CB-CG 4.28Å; V16-L59 HydrophobicContact CG2-CD2 3.96Å; F55-L59 HydrophobicContact CE1-CD2 4.24Å; F55-L59 WeakPolarHBondContact O-CB 3.33Å; F55-L59 PolarHBondContact O-N 3.25Å; H56-L59 PolarHBondContact O-N 3.2Å |
| 60 | H | 94.3 | Very high | 93.5 | Very high | 12 Ų | 12 | 71.3 Ų | 71.3 | 6% | 0.056 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 20.8 | -174.5 | -64 | -74.4 | 0 | 0 | 0 | 113.7 | P14 H56 D62 N63 T66 D68 | P14-H60 PolarHBondContact O-CE1 2.92Å; H56-H60 AromaticContact CD2-CD2 3.51Å; H56-H60 AromaticContact CD2-NE2 3.93Å; H56-H60 AromaticContact CE1-CD2 3.86Å; H56-H60 AromaticContact CG-CD2 3.83Å; H56-H60 AromaticContact NE2-CD2 3.54Å; H56-H60 PolarHBondContact O-CD2 3.45Å; H56-H60 PolarHBondContact O-N 2.85Å; H60-D62 PolarHBondContact O-N 3Å; H60-N63 CarbonylContact O-C 3.51Å; H60-N63 PolarHBondContact O-N 2.88Å; H60-T66 HydrophobicContact CB-CG2 3.92Å; H60-T66 PolarHBondContact CE1-OG1 3.36Å; H60-T66 PolarHBondContact ND1-OG1 3.21Å; H60-D68 IonicContact CD2-OD2 2.65Å; H60-D68 IonicContact CE1-OD2 3.49Å; H60-D68 WeakPolarHBondContact NE2-CB 3.41Å; H60-D68 IonicContact NE2-OD2 3.72Å; H60-D68 PolarHBondContact NE2-OD2 3.08Å |
| 61 | K | 91.1 | Very high | 93.5 | Very high | 169 Ų | 169 | 67.5 Ų | 67.5 | 74% | 0.735 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -36.5 | -179 | -173 | -177.8 | 176.8 | -173.2 | 0 | 112.9 | A57 | A57-K61 PolarHBondContact O-N 2.88Š|
| 62 | D | 89.8 | Confident | 93.5 | Very high | 158 Ų | 158 | 65 Ų | 65 | 85% | 0.845 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 1.3 | -178.4 | -53.8 | -44.3 | 0 | 0 | 0 | 113.5 | H60 | H60-D62 PolarHBondContact O-N 3Š|
| 63 | N | 89.1 | Confident | 93.5 | Very high | 52 Ų | 52 | 64.6 Ų | 64.6 | 28% | 0.278 | 35% | 0.345 | S | S | . | . | trans | -133 | 76.4 | 178.6 | -172.5 | 8.3 | 0 | 0 | 0 | 112.3 | H60 K65 T66 | H60-N63 CarbonylContact O-C 3.51Å; H60-N63 PolarHBondContact O-N 2.88Å; N63-K65 PolarHBondContact O-N 2.82Å; N63-K65 VanDerWaalsContact O-N 3.15Å; N63-K65 PolarHBondContact OD1-N 3.1Å; N63-T66 WeakPolarHBondContact O-CB 3.44Å; N63-T66 WeakPolarHBondContact O-CG2 3.4Å; N63-T66 PolarHBondContact O-N 3.24Å; N63-T66 PolarHBondContact OD1-N 3.14Å | ||
| 64 | P | 78.4 | Confident | 93.6 | Very high | 121 Ų | 121 | 62.5 Ų | 62.5 | 79% | 0.786 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -12.2 | -178.9 | 28.1 | -35.4 | 0 | 0 | 0 | 113.9 | ||
| 65 | K | 84.5 | Confident | 93.6 | Very high | 187 Ų | 187 | 56.8 Ų | 56.8 | 81% | 0.813 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 12.9 | 178.3 | -65.9 | -174.3 | 179.9 | 179.4 | 0 | 113.1 | N63 | N63-K65 PolarHBondContact O-N 2.82Å; N63-K65 VanDerWaalsContact O-N 3.15Å; N63-K65 PolarHBondContact OD1-N 3.1Å |
| 66 | T | 91 | Very high | 93.6 | Very high | 27 Ų | 27 | 52.9 Ų | 52.9 | 17% | 0.166 | 29% | 0.294 | C | S | . | . | trans | -54.9 | 143.8 | 178.8 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | H60 N63 D68 | H60-T66 HydrophobicContact CB-CG2 3.92Å; H60-T66 PolarHBondContact CE1-OG1 3.36Å; H60-T66 PolarHBondContact ND1-OG1 3.21Å; N63-T66 WeakPolarHBondContact O-CB 3.44Å; N63-T66 WeakPolarHBondContact O-CG2 3.4Å; N63-T66 PolarHBondContact O-N 3.24Å; N63-T66 PolarHBondContact OD1-N 3.14Å; T66-D68 WeakPolarHBondContact OG1-CB 3.2Å; T66-D68 PolarHBondContact OG1-N 2.88Å | ||
| 67 | T | 92.1 | Very high | 93.7 | Very high | 93 Ų | 93 | 52.4 Ų | 52.4 | 57% | 0.571 | 29% | 0.292 | S | S | * | . | trans | -94.1 | -2.3 | 173 | 64.1 | 0 | 0 | 0 | 0 | 112.8 | Q232 | T67-Q232 PolarHBondContact O-NE2 2.77Š| ||
| 68 | D | 95.8 | Very high | 93.8 | Very high | 23 Ų | 23 | 49.8 Ų | 49.8 | 12% | 0.123 | 27% | 0.27 | C | S | . | . | trans | -64.3 | 139.1 | 176.1 | -172.2 | 30.4 | 0 | 0 | 0 | 110.8 | S15 V16 H56 H60 T66 | S15-D68 WeakPolarHBondContact CA-OD2 3.42Å; V16-D68 WeakPolarHBondContact CG2-OD2 3.44Å; V16-D68 PolarHBondContact N-OD2 3.14Å; H56-D68 IonicContact CD2-OD2 3.88Å; H56-D68 PolarHBondContact NE2-O 2.78Å; H60-D68 IonicContact CD2-OD2 2.65Å; H60-D68 IonicContact CE1-OD2 3.49Å; H60-D68 WeakPolarHBondContact NE2-CB 3.41Å; H60-D68 IonicContact NE2-OD2 3.72Å; H60-D68 PolarHBondContact NE2-OD2 3.08Å; T66-D68 WeakPolarHBondContact OG1-CB 3.2Å; T66-D68 PolarHBondContact OG1-N 2.88Å | ||
| 69 | S | 96.2 | Very high | 93.8 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 4% | 0.035 | 24% | 0.242 | C | C | . | . | trans | -156 | -178.7 | -172.1 | 67.6 | 0 | 0 | 0 | 0 | 111.1 | Y71 P72 | S69-Y71 PolarHBondContact O-N 2.91Å; S69-Y71 WeakPolarHBondContact OG-CB 3.41Å; S69-Y71 PolarHBondContact OG-N 2.81Å; S69-P72 WeakPolarHBondContact O-CD 3.25Å | ||
| 70 | F | 98.1 | Very high | 93.7 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.018 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -73.4 | -1.9 | 175.2 | -167.1 | -113.1 | 0 | 0 | 0 | 113.8 | F48 I49 W52 S73 M74 I77 F213 | F48-F70 AromaticContact CD1-CE2 3.99Å; F48-F70 HydrophobicContact CD1-CE2 3.99Å; F48-F70 AromaticContact CD1-CZ 3.92Å; F48-F70 HydrophobicContact CD1-CZ 3.92Å; F48-F70 AromaticContact CE1-CE2 3.67Å; F48-F70 HydrophobicContact CE1-CE2 3.67Å; F48-F70 AromaticContact CE1-CZ 3.8Å; F48-F70 HydrophobicContact CE1-CZ 3.8Å; I49-F70 HydrophobicContact CD1-CE1 4.23Å; I49-F70 HydrophobicContact CD1-CZ 4.43Å; I49-F70 HydrophobicContact CG1-CD1 4.46Å; I49-F70 HydrophobicContact CG1-CE1 3.79Å; I49-F70 HydrophobicContact CG1-CE2 4.08Å; I49-F70 HydrophobicContact CG1-CZ 3.57Å; W52-F70 HydrophobicContact CB-CD2 4.04Å; W52-F70 HydrophobicContact CB-CE2 4.11Å; W52-F70 AromaticContact CD1-CD2 3.77Å; W52-F70 AromaticContact CD2-CD2 3.52Å; W52-F70 HydrophobicContact CD2-CD2 3.52Å; W52-F70 AromaticContact CD2-CE2 3.87Å; W52-F70 HydrophobicContact CD2-CE2 3.87Å; W52-F70 AromaticContact CE2-CD2 3.78Å; W52-F70 HydrophobicContact CE3-CD2 4.05Å; W52-F70 AromaticContact CE3-CE2 3.96Å; W52-F70 HydrophobicContact CE3-CE2 3.96Å; W52-F70 AromaticContact CG-CD2 3.51Å; W52-F70 HydrophobicContact CG-CD2 3.51Å; W52-F70 AromaticContact CG-CE2 3.96Å; W52-F70 HydrophobicContact CG-CE2 3.96Å; W52-F70 HydrophobicContact CZ2-CD2 4.48Å; W52-F70 AromaticContact NE1-CD2 3.93Å; F70-S73 PolarHBondContact O-N 3.04Å; F70-S73 VanDerWaalsContact O-N 3.1Å; F70-M74 HydrophobicContact CD1-CB 4.01Å; F70-M74 HydrophobicContact CD1-CE 4.02Å; F70-M74 HydrophobicContact CE1-CB 4.34Å; F70-M74 HydrophobicContact CE1-CE 4.23Å; F70-M74 PolarHBondContact O-N 3.11Å; F70-I77 HydrophobicContact CE1-CD1 3.92Å; F70-I77 HydrophobicContact CZ-CD1 3.81Å; F70-F213 HydrophobicContact CB-CE2 3.68Å; F70-F213 HydrophobicContact CB-CZ 4.34Å; F70-F213 AromaticContact CD1-CD2 3.9Å; F70-F213 HydrophobicContact CD1-CD2 3.9Å; F70-F213 AromaticContact CD1-CE2 3.9Å; F70-F213 HydrophobicContact CD1-CE2 3.9Å; F70-F213 HydrophobicContact CG-CD2 4.43Å; F70-F213 HydrophobicContact CG-CE2 4.04Å |
| 71 | Y | 97.8 | Very high | 93.5 | Very high | 16 Ų | 16 | 48.5 Ų | 48.5 | 6% | 0.063 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -53 | -45.6 | -174.7 | 173.1 | -115.9 | 0 | 0 | 0 | 114.8 | S69 S73 M74 R75 E82 E84 L227 K228 | S69-Y71 PolarHBondContact O-N 2.91Å; S69-Y71 WeakPolarHBondContact OG-CB 3.41Å; S69-Y71 PolarHBondContact OG-N 2.81Å; Y71-S73 PolarHBondContact O-N 2.8Å; Y71-M74 PolarHBondContact O-N 2.79Å; Y71-M74 VanDerWaalsContact O-N 3.15Å; Y71-R75 HydrophobicContact CD2-CB 4.4Å; Y71-R75 HydrophobicContact CE2-CB 3.98Å; Y71-R75 WeakPolarHBondContact O-CG 3Å; Y71-R75 PolarHBondContact O-N 2.84Å; Y71-R75 PolarHBondContact OH-NE 3.05Å; Y71-R75 PolarHBondContact OH-NH2 3.48Å; Y71-E82 VanDerWaalsContact CE2-OE2 3.32Å; Y71-E82 WeakPolarHBondContact CE2-OE2 3.39Å; Y71-E82 VanDerWaalsContact OH-CD 3.28Å; Y71-E82 PolarHBondContact OH-OE1 3.37Å; Y71-E82 PolarHBondContact OH-OE2 2.97Å; Y71-E82 VanDerWaalsContact OH-OE2 3.12Å; Y71-E84 WeakPolarHBondContact CE1-OE2 3.46Å; Y71-E84 WeakPolarHBondContact OH-CB 3.37Å; Y71-E84 PolarHBondContact OH-OE2 2.92Å; Y71-L227 HydrophobicContact CD2-CB 3.98Å; Y71-L227 HydrophobicContact CE2-CB 3.9Å; Y71-K228 HydrophobicContact CD1-CB 3.99Å; Y71-K228 HydrophobicContact CD1-CD 4.2Å; Y71-K228 HydrophobicContact CD1-CG 3.85Å; Y71-K228 HydrophobicContact CD2-CB 3.68Å; Y71-K228 HydrophobicContact CD2-CG 4.36Å; Y71-K228 HydrophobicContact CE1-CB 4.03Å; Y71-K228 HydrophobicContact CE1-CD 4.1Å; Y71-K228 HydrophobicContact CE1-CG 4.12Å; Y71-K228 HydrophobicContact CE2-CB 3.74Å; Y71-K228 HydrophobicContact CG-CB 3.8Å; Y71-K228 HydrophobicContact CG-CG 3.96Å |
| 72 | P | 97.9 | Very high | 93.2 | Very high | 24 Ų | 24 | 40.9 Ų | 40.9 | 16% | 0.156 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.8 | -31.9 | 179.4 | -26.7 | 37.7 | 0 | 0 | 0 | 113.7 | A17 S69 L76 I151 N155 | A17-P72 HydrophobicContact CB-CB 3.62Å; A17-P72 HydrophobicContact CB-CG 3.76Å; S69-P72 WeakPolarHBondContact O-CD 3.25Å; P72-L76 WeakPolarHBondContact O-CG 3.46Å; P72-I151 HydrophobicContact CB-CG2 3.99Å; P72-N155 PolarHBondContact O-ND2 3.49Å |
| 73 | S | 98.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -80.5 | -46.4 | 172.7 | -71.3 | 0 | 0 | 0 | 0 | 111.6 | W52 F70 Y71 R75 L76 I77 | W52-S73 WeakPolarHBondContact CH2-OG 3.37Å; W52-S73 WeakPolarHBondContact CZ3-OG 3.49Å; F70-S73 PolarHBondContact O-N 3.04Å; F70-S73 VanDerWaalsContact O-N 3.1Å; Y71-S73 PolarHBondContact O-N 2.8Å; S73-R75 VanDerWaalsContact C-N 3.32Å; S73-R75 PolarHBondContact O-N 3.27Å; S73-L76 PolarHBondContact O-N 2.8Å; S73-I77 VanDerWaalsContact O-CG1 3.3Å; S73-I77 WeakPolarHBondContact O-CG1 3.49Å; S73-I77 PolarHBondContact O-N 2.84Å |
| 74 | M | 97.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54.7 | -46.7 | -178.6 | -174.9 | 62.8 | 83 | 0 | 0 | 111.9 | F70 Y71 L76 I77 V78 V209 L210 F213 L227 | F70-M74 HydrophobicContact CD1-CB 4.01Å; F70-M74 HydrophobicContact CD1-CE 4.02Å; F70-M74 HydrophobicContact CE1-CB 4.34Å; F70-M74 HydrophobicContact CE1-CE 4.23Å; F70-M74 PolarHBondContact O-N 3.11Å; Y71-M74 PolarHBondContact O-N 2.79Å; Y71-M74 VanDerWaalsContact O-N 3.15Å; M74-L76 PolarHBondContact O-N 3.11Å; M74-I77 PolarHBondContact O-N 2.85Å; M74-V78 HydrophobicContact CG-CG2 4.04Å; M74-V78 WeakPolarHBondContact O-CG2 3.32Å; M74-V78 PolarHBondContact O-N 2.67Å; M74-V78 HydrophobicContact SD-CG2 3.82Å; M74-V209 HydrophobicContact CE-CG1 4.29Å; M74-V209 HydrophobicContact SD-CG1 3.68Å; M74-L210 HydrophobicContact CE-CD2 4.32Å; M74-F213 HydrophobicContact CE-CB 3.78Å; M74-F213 HydrophobicContact CE-CD1 4.2Å; M74-F213 HydrophobicContact CE-CD2 3.93Å; M74-F213 HydrophobicContact CE-CG 3.69Å; M74-L227 HydrophobicContact CG-CB 4.48Å; M74-L227 HydrophobicContact CG-CD1 4.37Å; M74-L227 HydrophobicContact CG-CD2 4.13Å |
| 75 | R | 96.9 | Very high | 93.7 | Very high | 11 Ų | 11 | 33.3 Ų | 33.3 | 4% | 0.042 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65 | -21.7 | -179.5 | 73.9 | -172.1 | -58.6 | -171 | 13.9 | 114 | Y71 S73 P79 E82 E84 N155 D159 | Y71-R75 HydrophobicContact CD2-CB 4.4Å; Y71-R75 HydrophobicContact CE2-CB 3.98Å; Y71-R75 WeakPolarHBondContact O-CG 3Å; Y71-R75 PolarHBondContact O-N 2.84Å; Y71-R75 PolarHBondContact OH-NE 3.05Å; Y71-R75 PolarHBondContact OH-NH2 3.48Å; S73-R75 VanDerWaalsContact C-N 3.32Å; S73-R75 PolarHBondContact O-N 3.27Å; R75-P79 VanDerWaalsContact O-CA 3.31Å; R75-P79 WeakPolarHBondContact O-CA 3.29Å; R75-E82 HydrophobicContact CB-CB 4.33Å; R75-E82 HydrophobicContact CB-CG 4.06Å; R75-E82 IonicContact CZ-OE1 2.8Å; R75-E82 IonicContact NE-OE1 2.76Å; R75-E82 IonicContact NE-OE2 3.83Å; R75-E82 IonicContact NH2-OE1 3.64Å; R75-E82 PolarHBondContact NH2-OE1 3.28Å; R75-E84 IonicContact CZ-OE2 3.02Å; R75-E84 IonicContact NH1-OE2 2.64Å; R75-E84 PolarHBondContact NH1-OE2 2.93Å; R75-E84 IonicContact NH2-OE2 2.93Å; R75-E84 PolarHBondContact NH2-OE2 2.71Å; R75-E84 VanDerWaalsContact NH2-OE2 3.15Å; R75-N155 VanDerWaalsContact CD-OD1 3.29Å; R75-N155 WeakPolarHBondContact CD-OD1 3.16Å; R75-D159 IonicContact NH1-OD1 2.72Å; R75-D159 IonicContact NH1-OD2 2.73Å; R75-D159 IonicContact NH2-OD1 2.91Å |
| 76 | L | 97.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -88 | -27.2 | 173.6 | -61.8 | -178.8 | 0 | 0 | 0 | 112.7 | F22 L25 P72 S73 M74 P79 I151 V154 L158 M195 M200 | F22-L76 HydrophobicContact CD2-CD1 4.49Å; F22-L76 HydrophobicContact CE2-CD1 4.12Å; L25-L76 HydrophobicContact CD2-CB 4.11Å; L25-L76 HydrophobicContact CD2-CD1 3.98Å; P72-L76 WeakPolarHBondContact O-CG 3.46Å; S73-L76 PolarHBondContact O-N 2.8Å; M74-L76 PolarHBondContact O-N 3.11Å; L76-P79 WeakPolarHBondContact O-CD 3.35Å; L76-I151 HydrophobicContact CD1-CG2 4.15Å; L76-V154 HydrophobicContact CD1-CG1 4.25Å; L76-L158 HydrophobicContact CD2-CD1 3.73Å; L76-M195 HydrophobicContact CB-CE 3.88Å; L76-M195 HydrophobicContact CB-CG 4.46Å; L76-M195 HydrophobicContact CB-SD 3.9Å; L76-M195 HydrophobicContact CD1-SD 4.29Å; L76-M195 HydrophobicContact CD2-SD 3.9Å; L76-M195 HydrophobicContact CG-SD 4.24Å; L76-M200 WeakPolarHBondContact O-CE 3.46Å |
| 77 | I | 97.8 | Very high | 93.8 | Very high | 5 Ų | 5 | 31.5 Ų | 31.5 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -77.2 | -39.6 | 177 | -63.6 | 163.5 | 0 | 0 | 0 | 111.1 | L25 L29 L45 F70 S73 M74 P79 L202 V209 | L25-I77 HydrophobicContact CD1-CD1 4.15Å; L25-I77 HydrophobicContact CD1-CG1 4Å; L29-I77 HydrophobicContact CD2-CG1 4.3Å; L45-I77 HydrophobicContact CD1-CD1 4.16Å; F70-I77 HydrophobicContact CE1-CD1 3.92Å; F70-I77 HydrophobicContact CZ-CD1 3.81Å; S73-I77 VanDerWaalsContact O-CG1 3.3Å; S73-I77 WeakPolarHBondContact O-CG1 3.49Å; S73-I77 PolarHBondContact O-N 2.84Å; M74-I77 PolarHBondContact O-N 2.85Å; I77-P79 WeakPolarHBondContact O-CD 3.09Å; I77-L202 HydrophobicContact CG2-CD1 4.33Å; I77-V209 HydrophobicContact CG2-CG1 3.97Å; I77-V209 HydrophobicContact CG2-CG2 4.19Å |
| 78 | V | 96.1 | Very high | 93.8 | Very high | 9 Ų | 9 | 27.7 Ų | 27.7 | 6% | 0.055 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -121 | 55.9 | 179.5 | -72.6 | 0 | 0 | 0 | 0 | 113.4 | M74 P80 F81 K206 V209 L227 | M74-V78 HydrophobicContact CG-CG2 4.04Å; M74-V78 WeakPolarHBondContact O-CG2 3.32Å; M74-V78 PolarHBondContact O-N 2.67Å; M74-V78 HydrophobicContact SD-CG2 3.82Å; V78-P80 VanDerWaalsContact O-N 3.15Å; V78-F81 HydrophobicContact CB-CB 4.43Å; V78-F81 HydrophobicContact CB-CD2 4.02Å; V78-F81 WeakPolarHBondContact O-CB 3.27Å; V78-F81 PolarHBondContact O-N 3.44Å; V78-K206 HydrophobicContact CG1-CB 4.3Å; V78-V209 HydrophobicContact CG1-CB 4.03Å; V78-V209 HydrophobicContact CG1-CG1 3.95Å; V78-V209 HydrophobicContact CG1-CG2 4.04Å; V78-L227 HydrophobicContact CG2-CD1 3.77Å; V78-L227 HydrophobicContact CG2-CD2 4.25Å |
| 79 | P | 95 | Very high | 93.4 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -61.7 | -24.5 | -171 | 21.2 | -27.8 | 0 | 0 | 0 | 116.7 | R75 L76 I77 F81 K198 M200 | R75-P79 VanDerWaalsContact O-CA 3.31Å; R75-P79 WeakPolarHBondContact O-CA 3.29Å; L76-P79 WeakPolarHBondContact O-CD 3.35Å; I77-P79 WeakPolarHBondContact O-CD 3.09Å; P79-F81 PolarHBondContact O-N 3.31Å; P79-K198 HydrophobicContact CB-CB 4.36Å; P79-K198 HydrophobicContact CB-CG 4.18Å; P79-K198 WeakPolarHBondContact O-CD 3.37Å; P79-M200 HydrophobicContact CG-CG 3.71Å; P79-M200 HydrophobicContact CG-SD 3.92Å |
| 80 | P | 91.2 | Very high | 93.1 | Very high | 54 Ų | 54 | 28.9 Ų | 28.9 | 35% | 0.351 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -64.3 | -21.2 | 170.7 | -23.9 | 34.6 | 0 | 0 | 0 | 114.8 | V78 R83 K198 | V78-P80 VanDerWaalsContact O-N 3.15Å; P80-R83 PolarHBondContact O-NH1 3.23Å; P80-K198 HydrophobicContact CG-CB 4.09Å; P80-K198 VanDerWaalsContact CG-O 3.27Å; P80-K198 WeakPolarHBondContact CG-O 3.32Å |
| 81 | F | 90.1 | Very high | 92.8 | Very high | 56 Ų | 56 | 35.2 Ų | 35.2 | 25% | 0.246 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -101.4 | -6.1 | -171.4 | -62.6 | -75.9 | 0 | 0 | 0 | 112.8 | V78 P79 R83 K206 Y221 L227 | V78-F81 HydrophobicContact CB-CB 4.43Å; V78-F81 HydrophobicContact CB-CD2 4.02Å; V78-F81 WeakPolarHBondContact O-CB 3.27Å; V78-F81 PolarHBondContact O-N 3.44Å; P79-F81 PolarHBondContact O-N 3.31Å; F81-R83 VanDerWaalsContact C-NH1 3.31Å; F81-R83 PolarHBondContact O-NH1 2.89Å; F81-K206 HydrophobicContact CD1-CD 3.63Å; F81-K206 HydrophobicContact CD1-CG 4.22Å; F81-K206 HydrophobicContact CD2-CB 3.76Å; F81-K206 HydrophobicContact CD2-CD 4.43Å; F81-K206 HydrophobicContact CD2-CG 4.23Å; F81-K206 HydrophobicContact CE1-CB 4.34Å; F81-K206 HydrophobicContact CE1-CD 3.39Å; F81-K206 HydrophobicContact CE1-CG 3.73Å; F81-K206 HydrophobicContact CE2-CB 3.55Å; F81-K206 HydrophobicContact CE2-CD 4.24Å; F81-K206 HydrophobicContact CE2-CG 3.73Å; F81-K206 HydrophobicContact CG-CB 4.23Å; F81-K206 HydrophobicContact CG-CD 4.14Å; F81-K206 HydrophobicContact CG-CG 4.44Å; F81-K206 HydrophobicContact CZ-CB 3.86Å; F81-K206 HydrophobicContact CZ-CD 3.72Å; F81-K206 HydrophobicContact CZ-CG 3.45Å; F81-K206 VanDerWaalsContact CZ-CG 3.45Å; F81-Y221 WeakPolarHBondContact CA-OH 3.44Å; F81-Y221 VanDerWaalsContact CB-OH 3.31Å; F81-Y221 WeakPolarHBondContact CB-OH 3.35Å; F81-Y221 HydrophobicContact CD1-CE1 4.32Å; F81-Y221 PolarHBondContact O-OH 2.93Å; F81-L227 HydrophobicContact CB-CD1 4.38Å |
| 82 | E | 86.7 | Confident | 92.5 | Very high | 8 Ų | 8 | 36.6 Ų | 36.6 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | trans | -73.8 | 140.8 | 171.9 | 172.9 | 45.9 | -141 | 0 | 0 | 111.9 | Y71 R75 E84 R85 L227 | Y71-E82 VanDerWaalsContact CE2-OE2 3.32Å; Y71-E82 WeakPolarHBondContact CE2-OE2 3.39Å; Y71-E82 VanDerWaalsContact OH-CD 3.28Å; Y71-E82 PolarHBondContact OH-OE1 3.37Å; Y71-E82 PolarHBondContact OH-OE2 2.97Å; Y71-E82 VanDerWaalsContact OH-OE2 3.12Å; R75-E82 HydrophobicContact CB-CB 4.33Å; R75-E82 HydrophobicContact CB-CG 4.06Å; R75-E82 IonicContact CZ-OE1 2.8Å; R75-E82 IonicContact NE-OE1 2.76Å; R75-E82 IonicContact NE-OE2 3.83Å; R75-E82 IonicContact NH2-OE1 3.64Å; R75-E82 PolarHBondContact NH2-OE1 3.28Å; E82-E84 WeakPolarHBondContact OE1-CA 3.33Å; E82-E84 WeakPolarHBondContact OE1-CB 3.29Å; E82-E84 PolarHBondContact OE1-N 3.16Å; E82-R85 HydrophobicContact CG-CB 4.49Å; E82-R85 PolarHBondContact OE1-N 2.67Å; E82-L227 HydrophobicContact CB-CD1 4.3Å | ||
| 83 | R | 87.6 | Confident | 92.1 | Very high | 50 Ų | 50 | 39 Ų | 39 | 19% | 0.189 | 22% | 0.215 | C | C | . | . | trans | -128.9 | -21.6 | -172.6 | -68.2 | -65.3 | 174.2 | -82.3 | 2.3 | 115.7 | P80 F81 T225 N300 | P80-R83 PolarHBondContact O-NH1 3.23Å; F81-R83 VanDerWaalsContact C-NH1 3.31Å; F81-R83 PolarHBondContact O-NH1 2.89Å; R83-T225 HydrophobicContact CG-CG2 4.32Å; R83-N300 VanDerWaalsContact CZ-O 3.26Å; R83-N300 PolarHBondContact NE-O 2.9Å; R83-N300 PolarHBondContact NH2-O 3.08Å | ||
| 84 | E | 88.8 | Confident | 91.7 | Very high | 109 Ų | 109 | 43.1 Ų | 43.1 | 51% | 0.509 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -66.8 | -40.9 | 177.4 | -174.2 | -174.9 | -148.2 | 0 | 0 | 110.3 | Y71 R75 E82 | Y71-E84 WeakPolarHBondContact CE1-OE2 3.46Å; Y71-E84 WeakPolarHBondContact OH-CB 3.37Å; Y71-E84 PolarHBondContact OH-OE2 2.92Å; R75-E84 IonicContact CZ-OE2 3.02Å; R75-E84 IonicContact NH1-OE2 2.64Å; R75-E84 PolarHBondContact NH1-OE2 2.93Å; R75-E84 IonicContact NH2-OE2 2.93Å; R75-E84 PolarHBondContact NH2-OE2 2.71Å; R75-E84 VanDerWaalsContact NH2-OE2 3.15Å; E82-E84 WeakPolarHBondContact OE1-CA 3.33Å; E82-E84 WeakPolarHBondContact OE1-CB 3.29Å; E82-E84 PolarHBondContact OE1-N 3.16Å |
| 85 | R | 91.2 | Very high | 91.4 | Very high | 13 Ų | 13 | 43.3 Ų | 43.3 | 5% | 0.049 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -84.5 | 124 | -178.6 | -162.8 | 179.1 | -65.7 | 151.8 | 0.6 | 112.9 | E82 Y88 N155 L158 D159 A162 | E82-R85 HydrophobicContact CG-CB 4.49Å; E82-R85 PolarHBondContact OE1-N 2.67Å; R85-Y88 VanDerWaalsContact CD-CZ 3.5Å; R85-Y88 WeakPolarHBondContact CD-OH 3.32Å; R85-Y88 HydrophobicContact CG-CE1 4.27Å; R85-Y88 PolarHBondContact NH1-OH 3.13Å; R85-N155 PolarHBondContact NH2-O 3.22Å; R85-N155 PolarHBondContact NH2-OD1 3.21Å; R85-L158 VanDerWaalsContact CZ-CB 3.41Å; R85-L158 VanDerWaalsContact NH1-CD1 3.35Å; R85-D159 IonicContact CZ-OD1 3.67Å; R85-D159 VanDerWaalsContact CZ-OD1 3.3Å; R85-D159 IonicContact NE-OD1 3.37Å; R85-D159 PolarHBondContact NE-OD1 3.31Å; R85-D159 IonicContact NH2-OD1 3.17Å; R85-D159 PolarHBondContact NH2-OD1 2.71Å; R85-D159 VanDerWaalsContact NH2-OD1 3.09Å; R85-D159 IonicContact NH2-OD2 3.05Å; R85-D159 PolarHBondContact NH2-OD2 2.87Å; R85-A162 HydrophobicContact CG-CB 3.49Å; R85-A162 VanDerWaalsContact CG-CB 3.49Å |
| 86 | M | 87.9 | Confident | 91.1 | Very high | 108 Ų | 108 | 42.8 Ų | 42.8 | 53% | 0.532 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -62.8 | 170.5 | 174.2 | -65.2 | -59.4 | 98.8 | 0 | 0 | 112.8 | Y88 A162 | M86-Y88 PolarHBondContact O-N 2.91Å; M86-A162 HydrophobicContact CB-CB 4.43Å |
| 87 | A | 89.9 | Confident | 90.7 | Very high | 68 Ų | 68 | 49 Ų | 49 | 56% | 0.562 | 26% | 0.261 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 135.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G89 N165 | A87-G89 VanDerWaalsContact C-N 3.28Å; A87-G89 PolarHBondContact O-N 2.78Å; A87-N165 PolarHBondContact O-ND2 2.67Å |
| 88 | Y | 90.4 | Very high | 90.1 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 6% | 0.055 | 26% | 0.262 | C | S | . | . | trans | -70.6 | -21.4 | 177.6 | -57.6 | -68.2 | 0 | 0 | 0 | 114 | R85 M86 I90 L158 V161 A162 N165 I196 | R85-Y88 VanDerWaalsContact CD-CZ 3.5Å; R85-Y88 WeakPolarHBondContact CD-OH 3.32Å; R85-Y88 HydrophobicContact CG-CE1 4.27Å; R85-Y88 PolarHBondContact NH1-OH 3.13Å; M86-Y88 PolarHBondContact O-N 2.91Å; Y88-I90 PolarHBondContact O-N 2.99Å; Y88-L158 HydrophobicContact CE1-CB 3.95Å; Y88-L158 HydrophobicContact CE1-CD2 3.98Å; Y88-L158 WeakPolarHBondContact CE1-O 3.25Å; Y88-V161 HydrophobicContact CD1-CB 4.32Å; Y88-V161 HydrophobicContact CD1-CG1 3.82Å; Y88-V161 HydrophobicContact CG-CG1 4.49Å; Y88-A162 HydrophobicContact CD1-CB 4.12Å; Y88-A162 HydrophobicContact CE1-CB 4.35Å; Y88-N165 WeakPolarHBondContact O-CB 3.02Å; Y88-N165 VanDerWaalsContact O-CG 3.24Å; Y88-I196 HydrophobicContact CD2-CG2 4.22Å; Y88-I196 WeakPolarHBondContact CD2-O 3.17Å; Y88-I196 HydrophobicContact CG-CG2 4.47Å | ||
| 89 | G | 88.4 | Confident | 89.7 | Confident | 43 Ų | 43 | 49 Ų | 49 | 44% | 0.443 | 26% | 0.26 | S | S | . | . | trans | 69.3 | 11.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | A87 N165 | A87-G89 VanDerWaalsContact C-N 3.28Å; A87-G89 PolarHBondContact O-N 2.78Å; G89-N165 PolarHBondContact N-ND2 3.16Å | ||
| 90 | I | 90 | Very high | 89.3 | Confident | 9 Ų | 9 | 49.4 Ų | 49.4 | 5% | 0.046 | 26% | 0.262 | C | S | . | . | trans | -102.3 | 137.5 | -175.3 | -60.5 | 165.1 | 0 | 0 | 0 | 110.4 | Y88 M94 L95 V161 V173 L177 I196 | Y88-I90 PolarHBondContact O-N 2.99Å; I90-M94 HydrophobicContact CB-SD 4.44Å; I90-M94 HydrophobicContact CG1-SD 4.02Å; I90-M94 HydrophobicContact CG2-SD 4.43Å; I90-L95 HydrophobicContact CG2-CD1 3.93Å; I90-L95 HydrophobicContact CG2-CD2 3.68Å; I90-L95 HydrophobicContact CG2-CG 3.48Å; I90-L95 VanDerWaalsContact CG2-CG 3.48Å; I90-V161 HydrophobicContact CD1-CG1 3.63Å; I90-V173 HydrophobicContact CD1-CG1 4.38Å; I90-V173 HydrophobicContact CG1-CG1 4.49Å; I90-L177 HydrophobicContact CD1-CD1 3.53Å; I90-L177 HydrophobicContact CD1-CD2 3.71Å; I90-L177 HydrophobicContact CD1-CG 4.07Å; I90-L177 HydrophobicContact CG1-CD1 4.22Å; I90-I196 HydrophobicContact CB-CG2 3.8Å; I90-I196 HydrophobicContact CD1-CG2 3.91Å; I90-I196 HydrophobicContact CG1-CG2 4.48Å; I90-I196 HydrophobicContact CG2-CG2 3.79Å | ||
| 91 | K | 90.9 | Very high | 88.8 | Confident | 137 Ų | 137 | 50.9 Ų | 50.9 | 60% | 0.596 | 27% | 0.267 | S | S | * | . | trans | -130.5 | 168 | 173.3 | -65.6 | -64.9 | -178.4 | -174.8 | 0 | 110.2 | S93 M94 L95 | K91-S93 PolarHBondContact O-N 2.99Å; K91-M94 WeakPolarHBondContact O-CB 3.4Å; K91-M94 PolarHBondContact O-N 3.38Å; K91-L95 PolarHBondContact O-N 2.8Å | ||
| 92 | E | 91.9 | Very high | 88.2 | Confident | 46 Ų | 46 | 50.5 Ų | 50.5 | 22% | 0.215 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -53.1 | -40.4 | -179.6 | -59.5 | 95.2 | 129.5 | 0 | 0 | 112 | M94 L95 A96 Y118 F131 L197 | E92-M94 VanDerWaalsContact C-N 3.34Å; E92-M94 PolarHBondContact O-N 3.36Å; E92-L95 PolarHBondContact O-N 2.8Å; E92-A96 VanDerWaalsContact O-CB 3.31Å; E92-A96 WeakPolarHBondContact O-CB 3.41Å; E92-A96 PolarHBondContact O-N 3.36Å; E92-Y118 HydrophobicContact CB-CD1 4.29Å; E92-Y118 HydrophobicContact CB-CE1 3.65Å; E92-Y118 HydrophobicContact CG-CE1 3.9Å; E92-Y118 PolarHBondContact OE1-OH 3.06Å; E92-F131 HydrophobicContact CB-CB 4.35Å; E92-F131 HydrophobicContact CB-CD1 4.3Å; E92-F131 HydrophobicContact CB-CD2 4.09Å; E92-F131 HydrophobicContact CB-CG 3.97Å; E92-F131 HydrophobicContact CG-CB 3.9Å; E92-F131 HydrophobicContact CG-CD1 4.2Å; E92-F131 HydrophobicContact CG-CG 3.95Å; E92-L197 HydrophobicContact CG-CD1 3.78Å; E92-L197 HydrophobicContact CG-CD2 4.06Å |
| 93 | S | 89.9 | Confident | 87.8 | Confident | 75 Ų | 75 | 51.8 Ų | 51.8 | 52% | 0.524 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.5 | -33.7 | 178.8 | 61.2 | 0 | 0 | 0 | 0 | 113.7 | K91 K97 | K91-S93 PolarHBondContact O-N 2.99Å; S93-K97 WeakPolarHBondContact O-CG 3.5Å; S93-K97 PolarHBondContact O-N 3.4Å |
| 94 | M | 89.4 | Confident | 87.3 | Confident | 85 Ų | 85 | 52.3 Ų | 52.3 | 42% | 0.419 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -73.5 | -44.6 | 175.5 | -178 | -176.8 | -73 | 0 | 0 | 110.4 | I90 K91 E92 A96 K97 L98 | I90-M94 HydrophobicContact CB-SD 4.44Å; I90-M94 HydrophobicContact CG1-SD 4.02Å; I90-M94 HydrophobicContact CG2-SD 4.43Å; K91-M94 WeakPolarHBondContact O-CB 3.4Å; K91-M94 PolarHBondContact O-N 3.38Å; E92-M94 VanDerWaalsContact C-N 3.34Å; E92-M94 PolarHBondContact O-N 3.36Å; M94-A96 VanDerWaalsContact C-N 3.34Å; M94-A96 PolarHBondContact O-N 2.91Å; M94-K97 PolarHBondContact O-N 3.11Å; M94-L98 WeakPolarHBondContact O-CB 3.3Å; M94-L98 PolarHBondContact O-N 2.85Å |
| 95 | L | 91.4 | Very high | 87 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.9 | -42.7 | 175.6 | -69.8 | 171.8 | 0 | 0 | 0 | 111.3 | I90 K91 E92 K97 L98 Y99 F131 I193 L197 | I90-L95 HydrophobicContact CG2-CD1 3.93Å; I90-L95 HydrophobicContact CG2-CD2 3.68Å; I90-L95 HydrophobicContact CG2-CG 3.48Å; I90-L95 VanDerWaalsContact CG2-CG 3.48Å; K91-L95 PolarHBondContact O-N 2.8Å; E92-L95 PolarHBondContact O-N 2.8Å; L95-K97 PolarHBondContact O-N 2.96Å; L95-L98 PolarHBondContact O-N 3.2Å; L95-Y99 HydrophobicContact CB-CD2 4.48Å; L95-Y99 WeakPolarHBondContact O-CB 2.86Å; L95-Y99 WeakPolarHBondContact O-CD2 3.42Å; L95-Y99 PolarHBondContact O-N 3.06Å; L95-F131 HydrophobicContact CB-CE1 3.51Å; L95-F131 HydrophobicContact CB-CZ 3.63Å; L95-F131 HydrophobicContact CD1-CD1 4.42Å; L95-F131 HydrophobicContact CD1-CE1 3.87Å; L95-F131 HydrophobicContact CG-CE1 4.34Å; L95-I193 HydrophobicContact CD1-CG1 4.49Å; L95-I193 HydrophobicContact CD1-CG2 4.09Å; L95-L197 HydrophobicContact CD1-CD1 4.45Å; L95-L197 HydrophobicContact CD1-CD2 4.12Å; L95-L197 HydrophobicContact CD1-CG 4.21Å |
| 96 | A | 91.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.2 | -50.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E92 M94 L98 Y99 I100 L115 L116 F131 | E92-A96 VanDerWaalsContact O-CB 3.31Å; E92-A96 WeakPolarHBondContact O-CB 3.41Å; E92-A96 PolarHBondContact O-N 3.36Å; M94-A96 VanDerWaalsContact C-N 3.34Å; M94-A96 PolarHBondContact O-N 2.91Å; A96-L98 VanDerWaalsContact C-N 3.33Å; A96-L98 PolarHBondContact O-N 2.86Å; A96-Y99 PolarHBondContact O-N 3.11Å; A96-I100 WeakPolarHBondContact O-CD1 3.07Å; A96-I100 VanDerWaalsContact O-CG1 3.22Å; A96-I100 WeakPolarHBondContact O-CG1 3.32Å; A96-I100 PolarHBondContact O-N 3Å; A96-L115 HydrophobicContact CB-CB 3.99Å; A96-L116 HydrophobicContact CB-CD2 3.96Å; A96-F131 HydrophobicContact CB-CE2 3.87Å; A96-F131 HydrophobicContact CB-CZ 4.21Å |
| 97 | K | 89.1 | Confident | 86.1 | Confident | 132 Ų | 132 | 53.4 Ų | 53.4 | 57% | 0.574 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.1 | -42.1 | 177 | -71.2 | 175.1 | -177.7 | -177 | 0 | 111.9 | S93 M94 L95 I100 D101 L116 | S93-K97 WeakPolarHBondContact O-CG 3.5Å; S93-K97 PolarHBondContact O-N 3.4Å; M94-K97 PolarHBondContact O-N 3.11Å; L95-K97 PolarHBondContact O-N 2.96Å; K97-I100 PolarHBondContact O-N 3.18Å; K97-D101 PolarHBondContact O-N 3.2Å; K97-L116 HydrophobicContact CG-CD2 4.18Å |
| 98 | L | 85.4 | Confident | 85.8 | Confident | 9 Ų | 9 | 58 Ų | 58 | 5% | 0.047 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 177.6 | -173.6 | 62.1 | 0 | 0 | 0 | 111.2 | M94 L95 A96 I100 D101 V102 K174 L177 I181 | M94-L98 WeakPolarHBondContact O-CB 3.3Å; M94-L98 PolarHBondContact O-N 2.85Å; L95-L98 PolarHBondContact O-N 3.2Å; A96-L98 VanDerWaalsContact C-N 3.33Å; A96-L98 PolarHBondContact O-N 2.86Å; L98-I100 VanDerWaalsContact C-N 3.31Å; L98-I100 PolarHBondContact O-N 3.16Å; L98-D101 PolarHBondContact O-N 2.61Å; L98-V102 HydrophobicContact CD1-CG2 4Å; L98-V102 HydrophobicContact CG-CG2 4.2Å; L98-V102 WeakPolarHBondContact O-CB 3.47Å; L98-V102 WeakPolarHBondContact O-CG2 3.23Å; L98-V102 PolarHBondContact O-N 2.94Å; L98-K174 HydrophobicContact CD1-CD 4.2Å; L98-K174 HydrophobicContact CD1-CG 3.65Å; L98-L177 HydrophobicContact CD2-CB 3.55Å; L98-L177 HydrophobicContact CD2-CD1 3.84Å; L98-L177 HydrophobicContact CD2-CG 4.34Å; L98-I181 HydrophobicContact CD2-CD1 3.77Å; L98-I181 HydrophobicContact CG-CD1 4.2Å |
| 99 | Y | 86.8 | Confident | 85.4 | Confident | 6 Ų | 6 | 57.8 Ų | 57.8 | 2% | 0.024 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62 | -37.7 | 177.4 | -84.8 | -62.8 | 0 | 0 | 0 | 113 | L95 A96 L103 L139 I181 Q189 I193 | L95-Y99 HydrophobicContact CB-CD2 4.48Å; L95-Y99 WeakPolarHBondContact O-CB 2.86Å; L95-Y99 WeakPolarHBondContact O-CD2 3.42Å; L95-Y99 PolarHBondContact O-N 3.06Å; A96-Y99 PolarHBondContact O-N 3.11Å; Y99-L103 HydrophobicContact CD1-CD1 4.19Å; Y99-L103 HydrophobicContact CD1-CG 4.5Å; Y99-L103 WeakPolarHBondContact O-CB 3.42Å; Y99-L103 VanDerWaalsContact O-CG 3.24Å; Y99-L103 WeakPolarHBondContact O-CG 3.27Å; Y99-L103 PolarHBondContact O-N 2.97Å; Y99-L139 HydrophobicContact CD1-CD2 3.92Å; Y99-L139 HydrophobicContact CE1-CD1 3.84Å; Y99-L139 HydrophobicContact CE1-CD2 3.71Å; Y99-L139 HydrophobicContact CE1-CG 4.28Å; Y99-I181 HydrophobicContact CD1-CD1 4.4Å; Y99-I181 HydrophobicContact CE1-CD1 3.84Å; Y99-I181 HydrophobicContact CE1-CG1 4.01Å; Y99-I181 HydrophobicContact CE1-CG2 3.86Å; Y99-I181 HydrophobicContact CE2-CD1 4.39Å; Y99-Q189 PolarHBondContact OH-OE1 3.07Å; Y99-I193 HydrophobicContact CE2-CD1 3.65Å; Y99-I193 HydrophobicContact CE2-CG1 4.1Å |
| 100 | I | 86.7 | Confident | 85.2 | Confident | 11 Ų | 11 | 60 Ų | 60 | 6% | 0.056 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.1 | -48.1 | 174.3 | -71.2 | 162.7 | 0 | 0 | 0 | 110.8 | A96 K97 L98 G104 L105 A112 L115 L116 | A96-I100 WeakPolarHBondContact O-CD1 3.07Å; A96-I100 VanDerWaalsContact O-CG1 3.22Å; A96-I100 WeakPolarHBondContact O-CG1 3.32Å; A96-I100 PolarHBondContact O-N 3Å; K97-I100 PolarHBondContact O-N 3.18Å; L98-I100 VanDerWaalsContact C-N 3.31Å; L98-I100 PolarHBondContact O-N 3.16Å; I100-G104 PolarHBondContact O-N 2.95Å; I100-L105 HydrophobicContact CG1-CD1 4.23Å; I100-L105 HydrophobicContact CG2-CB 4.28Å; I100-L105 PolarHBondContact O-N 2.95Å; I100-A112 HydrophobicContact CD1-CB 3.74Å; I100-A112 HydrophobicContact CG1-CB 3.8Å; I100-A112 HydrophobicContact CG2-CB 4.4Å; I100-L115 HydrophobicContact CG1-CD1 4.21Å; I100-L116 HydrophobicContact CD1-CD1 3.81Å; I100-L116 HydrophobicContact CD1-CD2 4.12Å; I100-L116 HydrophobicContact CD1-CG 3.7Å |
| 101 | D | 80.7 | Confident | 84.9 | Confident | 85 Ų | 85 | 62.7 Ų | 62.7 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.2 | -48.6 | 178.5 | -72 | -7.1 | 0 | 0 | 0 | 111.3 | K97 L98 G104 K174 | K97-D101 PolarHBondContact O-N 3.2Å; L98-D101 PolarHBondContact O-N 2.61Å; D101-G104 PolarHBondContact O-N 3.12Å; D101-K174 IonicContact OD2-NZ 3.15Å; D101-K174 PolarHBondContact OD2-NZ 3.45Å |
| 102 | V | 77.3 | Confident | 84.7 | Confident | 48 Ų | 48 | 56.2 Ų | 56.2 | 29% | 0.291 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71.3 | -39.1 | -172.2 | 174.1 | 0 | 0 | 0 | 0 | 112.6 | L98 G104 L178 I181 | L98-V102 HydrophobicContact CD1-CG2 4Å; L98-V102 HydrophobicContact CG-CG2 4.2Å; L98-V102 WeakPolarHBondContact O-CB 3.47Å; L98-V102 WeakPolarHBondContact O-CG2 3.23Å; L98-V102 PolarHBondContact O-N 2.94Å; V102-G104 PolarHBondContact O-N 2.77Å; V102-L178 HydrophobicContact CB-CD1 4.12Å; V102-L178 HydrophobicContact CG1-CD1 3.66Å; V102-L178 HydrophobicContact CG2-CD1 3.28Å; V102-I181 HydrophobicContact CG1-CG2 4.09Å |
| 103 | L | 78.3 | Confident | 84.3 | Confident | 35 Ų | 35 | 56.7 Ų | 56.7 | 18% | 0.183 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -0.6 | 178.4 | -59.9 | 173.1 | 0 | 0 | 0 | 112.4 | Y99 L105 V138 L139 R142 | Y99-L103 HydrophobicContact CD1-CD1 4.19Å; Y99-L103 HydrophobicContact CD1-CG 4.5Å; Y99-L103 WeakPolarHBondContact O-CB 3.42Å; Y99-L103 VanDerWaalsContact O-CG 3.24Å; Y99-L103 WeakPolarHBondContact O-CG 3.27Å; Y99-L103 PolarHBondContact O-N 2.97Å; L103-L105 HydrophobicContact CB-CD1 4.41Å; L103-L105 HydrophobicContact CB-CD2 4Å; L103-L105 HydrophobicContact CB-CG 3.84Å; L103-L105 HydrophobicContact CD1-CD1 4.26Å; L103-L105 PolarHBondContact O-N 3.16Å; L103-V138 HydrophobicContact CD1-CG1 4.09Å; L103-L139 HydrophobicContact CD1-CD2 3.74Å; L103-L139 HydrophobicContact CD2-CD2 3.94Å; L103-L139 HydrophobicContact CG-CD2 4.34Å; L103-R142 HydrophobicContact CD2-CB 4.48Å |
| 104 | G | 77.8 | Confident | 84.1 | Confident | 61 Ų | 61 | 55.9 Ų | 55.9 | 63% | 0.629 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 34.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | I100 D101 V102 | I100-G104 PolarHBondContact O-N 2.95Å; D101-G104 PolarHBondContact O-N 3.12Å; V102-G104 PolarHBondContact O-N 2.77Å |
| 105 | L | 82.3 | Confident | 84 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | trans | -69.8 | 137.1 | -177.9 | -57.6 | 178.9 | 0 | 0 | 0 | 109.8 | I100 L103 K107 E111 A112 L115 V138 | I100-L105 HydrophobicContact CG1-CD1 4.23Å; I100-L105 HydrophobicContact CG2-CB 4.28Å; I100-L105 PolarHBondContact O-N 2.95Å; L103-L105 HydrophobicContact CB-CD1 4.41Å; L103-L105 HydrophobicContact CB-CD2 4Å; L103-L105 HydrophobicContact CB-CG 3.84Å; L103-L105 HydrophobicContact CD1-CD1 4.26Å; L103-L105 PolarHBondContact O-N 3.16Å; L105-K107 PolarHBondContact O-N 2.79Å; L105-E111 HydrophobicContact CD1-CB 4.12Å; L105-A112 HydrophobicContact CB-CB 4.34Å; L105-L115 HydrophobicContact CD1-CD1 3.92Å; L105-V138 HydrophobicContact CD1-CG1 4.02Å | ||
| 106 | P | 81.8 | Confident | 83.9 | Confident | 85 Ų | 85 | 55.3 Ų | 55.3 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | trans | -55.3 | 125.4 | 171.2 | -23.2 | 32.7 | 0 | 0 | 0 | 109.7 | N108 G109 A112 | P106-N108 PolarHBondContact O-N 3.25Å; P106-G109 WeakPolarHBondContact O-CA 3.42Å; P106-G109 PolarHBondContact O-N 2.93Å; P106-A112 WeakPolarHBondContact O-CB 3.41Å | ||
| 107 | K | 79.4 | Confident | 83.6 | Confident | 161 Ų | 161 | 59.7 Ų | 59.7 | 70% | 0.7 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -31 | -174 | -69 | -177.7 | 178 | 176 | 0 | 113.5 | L105 | L105-K107 PolarHBondContact O-N 2.79Š|
| 108 | N | 81.9 | Confident | 83.4 | Confident | 164 Ų | 164 | 54.2 Ų | 54.2 | 88% | 0.877 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 10.5 | 178 | -59.8 | -22.7 | 0 | 0 | 0 | 112.7 | P106 | P106-N108 PolarHBondContact O-N 3.25Š|
| 109 | G | 82.6 | Confident | 83.2 | Confident | 10 Ų | 10 | 57.9 Ų | 57.9 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -76.4 | 162.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | P106 E111 A112 S113 | P106-G109 WeakPolarHBondContact O-CA 3.42Å; P106-G109 PolarHBondContact O-N 2.93Å; G109-E111 VanDerWaalsContact C-N 3.34Å; G109-E111 PolarHBondContact O-N 2.95Å; G109-A112 PolarHBondContact O-N 3.44Å; G109-S113 WeakPolarHBondContact O-CB 3.25Å; G109-S113 PolarHBondContact O-N 2.85Å |
| 110 | P | 83.6 | Confident | 82.8 | Confident | 90 Ų | 90 | 58.9 Ų | 58.9 | 58% | 0.584 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.1 | -35.8 | -175.7 | 21.6 | -28.3 | 0 | 0 | 0 | 113.1 | K114 | P110-K114 WeakPolarHBondContact O-CB 3.49Å; P110-K114 VanDerWaalsContact O-CG 3.28Å; P110-K114 WeakPolarHBondContact O-CG 3.21Å; P110-K114 PolarHBondContact O-N 3.01Å |
| 111 | E | 84.2 | Confident | 81.9 | Confident | 65 Ų | 65 | 61.4 Ų | 61.4 | 30% | 0.304 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -72.1 | -39.8 | 177.7 | -62.6 | 84.3 | 171.4 | 0 | 0 | 112.8 | L105 G109 K114 L115 V138 | L105-E111 HydrophobicContact CD1-CB 4.12Å; G109-E111 VanDerWaalsContact C-N 3.34Å; G109-E111 PolarHBondContact O-N 2.95Å; E111-K114 WeakPolarHBondContact O-CB 3.29Å; E111-K114 PolarHBondContact O-N 2.81Å; E111-L115 WeakPolarHBondContact O-CG 3.38Å; E111-L115 PolarHBondContact O-N 2.9Å; E111-V138 HydrophobicContact CB-CG1 4.25Å; E111-V138 HydrophobicContact CB-CG2 4.31Å |
| 112 | A | 86.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.8 | -44 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | I100 L105 P106 G109 K114 L115 L116 | I100-A112 HydrophobicContact CD1-CB 3.74Å; I100-A112 HydrophobicContact CG1-CB 3.8Å; I100-A112 HydrophobicContact CG2-CB 4.4Å; L105-A112 HydrophobicContact CB-CB 4.34Å; P106-A112 WeakPolarHBondContact O-CB 3.41Å; G109-A112 PolarHBondContact O-N 3.44Å; A112-K114 VanDerWaalsContact C-N 3.34Å; A112-K114 PolarHBondContact O-N 2.86Å; A112-L115 PolarHBondContact O-N 2.86Å; A112-L116 WeakPolarHBondContact O-CG 3.37Å; A112-L116 PolarHBondContact O-N 3.4Å |
| 113 | S | 85.1 | Confident | 79.6 | Confident | 57 Ų | 57 | 64.5 Ų | 64.5 | 40% | 0.399 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.7 | -41 | 174.8 | -172.8 | 0 | 0 | 0 | 0 | 112 | G109 L116 N117 | G109-S113 WeakPolarHBondContact O-CB 3.25Å; G109-S113 PolarHBondContact O-N 2.85Å; S113-L116 PolarHBondContact O-N 2.91Å; S113-N117 VanDerWaalsContact O-CB 3.26Å; S113-N117 WeakPolarHBondContact O-CB 3.34Å; S113-N117 PolarHBondContact O-N 2.93Å; S113-N117 PolarHBondContact O-ND2 2.86Å; S113-N117 PolarHBondContact OG-ND2 2.78Å |
| 114 | K | 84.9 | Confident | 78 | Confident | 58 Ų | 58 | 65.8 Ų | 65.8 | 25% | 0.252 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -56.3 | -54.2 | 173.1 | -81.5 | 174.4 | -178.6 | -170.9 | 0 | 111.4 | P110 E111 A112 L116 N117 Y118 T122 M134 | P110-K114 WeakPolarHBondContact O-CB 3.49Å; P110-K114 VanDerWaalsContact O-CG 3.28Å; P110-K114 WeakPolarHBondContact O-CG 3.21Å; P110-K114 PolarHBondContact O-N 3.01Å; E111-K114 WeakPolarHBondContact O-CB 3.29Å; E111-K114 PolarHBondContact O-N 2.81Å; A112-K114 VanDerWaalsContact C-N 3.34Å; A112-K114 PolarHBondContact O-N 2.86Å; K114-L116 PolarHBondContact O-N 2.86Å; K114-N117 CarbonylContact O-C 2.87Å; K114-N117 VanDerWaalsContact O-C 3.29Å; K114-N117 PolarHBondContact O-N 2.86Å; K114-Y118 WeakPolarHBondContact O-CA 3.22Å; K114-Y118 PolarHBondContact O-N 2.84Å; K114-T122 HydrophobicContact CG-CG2 3.99Å; K114-M134 HydrophobicContact CB-CG 4.47Å; K114-M134 HydrophobicContact CB-SD 3.8Å |
| 115 | L | 87.9 | Confident | 76.5 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.4 | -42.4 | -178.9 | -68.4 | 174.1 | 0 | 0 | 0 | 112.9 | A96 I100 L105 E111 A112 F131 A135 V138 | A96-L115 HydrophobicContact CB-CB 3.99Å; I100-L115 HydrophobicContact CG1-CD1 4.21Å; L105-L115 HydrophobicContact CD1-CD1 3.92Å; E111-L115 WeakPolarHBondContact O-CG 3.38Å; E111-L115 PolarHBondContact O-N 2.9Å; A112-L115 PolarHBondContact O-N 2.86Å; L115-F131 HydrophobicContact CD2-CE2 4.2Å; L115-A135 HydrophobicContact CD2-CB 4.1Å; L115-V138 HydrophobicContact CD1-CG1 4.45Å; L115-V138 HydrophobicContact CD2-CG2 4.31Å; L115-V138 HydrophobicContact CG-CG2 4.39Å |
| 116 | L | 87.9 | Confident | 75.1 | Confident | 75 Ų | 75 | 76 Ų | 76 | 39% | 0.393 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -70 | -35.8 | 179.4 | -69.3 | 168.9 | 0 | 0 | 0 | 112.3 | A96 K97 I100 A112 S113 K114 | A96-L116 HydrophobicContact CB-CD2 3.96Å; K97-L116 HydrophobicContact CG-CD2 4.18Å; I100-L116 HydrophobicContact CD1-CD1 3.81Å; I100-L116 HydrophobicContact CD1-CD2 4.12Å; I100-L116 HydrophobicContact CD1-CG 3.7Å; A112-L116 WeakPolarHBondContact O-CG 3.37Å; A112-L116 PolarHBondContact O-N 3.4Å; S113-L116 PolarHBondContact O-N 2.91Å; K114-L116 PolarHBondContact O-N 2.86Å |
| 117 | N | 85.4 | Confident | 74.2 | Confident | 92 Ų | 92 | 74.2 Ų | 74.2 | 49% | 0.492 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 37.9 | -176.1 | -57 | -53.5 | 0 | 0 | 0 | 112.2 | S113 K114 R119 A120 | S113-N117 VanDerWaalsContact O-CB 3.26Å; S113-N117 WeakPolarHBondContact O-CB 3.34Å; S113-N117 PolarHBondContact O-N 2.93Å; S113-N117 PolarHBondContact O-ND2 2.86Å; S113-N117 PolarHBondContact OG-ND2 2.78Å; K114-N117 CarbonylContact O-C 2.87Å; K114-N117 VanDerWaalsContact O-C 3.29Å; K114-N117 PolarHBondContact O-N 2.86Å; N117-R119 PolarHBondContact O-N 2.85Å; N117-A120 WeakPolarHBondContact O-CB 3.49Å; N117-A120 PolarHBondContact O-N 2.83Å |
| 118 | Y | 84.6 | Confident | 73.9 | Confident | 18 Ų | 18 | 67.6 Ų | 67.6 | 7% | 0.071 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -16.5 | -168.3 | 80.2 | -89.8 | 0 | 0 | 0 | 115.8 | E92 K114 G129 F131 M134 | E92-Y118 HydrophobicContact CB-CD1 4.29Å; E92-Y118 HydrophobicContact CB-CE1 3.65Å; E92-Y118 HydrophobicContact CG-CE1 3.9Å; E92-Y118 PolarHBondContact OE1-OH 3.06Å; K114-Y118 WeakPolarHBondContact O-CA 3.22Å; K114-Y118 PolarHBondContact O-N 2.84Å; Y118-G129 PolarHBondContact O-N 3.4Å; Y118-F131 HydrophobicContact CD1-CB 4.24Å; Y118-F131 AromaticContact CD1-CD2 3.88Å; Y118-F131 HydrophobicContact CD1-CD2 3.88Å; Y118-F131 HydrophobicContact CD1-CG 4.47Å; Y118-F131 HydrophobicContact CD2-CB 3.74Å; Y118-F131 HydrophobicContact CE1-CB 4.36Å; Y118-F131 HydrophobicContact CE2-CB 3.91Å; Y118-F131 HydrophobicContact CG-CB 3.93Å; Y118-F131 AromaticContact CG-CD2 3.91Å; Y118-F131 HydrophobicContact CG-CD2 3.91Å; Y118-F131 HydrophobicContact CG-CG 4.42Å; Y118-M134 VanDerWaalsContact CA-SD 3.56Å; Y118-M134 WeakPolarHBondContact O-CE 3.13Å |
| 119 | R | 82.9 | Confident | 73.8 | Confident | 85 Ų | 85 | 59.9 Ų | 59.9 | 32% | 0.321 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -27.1 | 179.1 | -65.6 | -178.6 | -84.6 | 133.5 | 6.4 | 112.5 | N117 W477 E552 | N117-R119 PolarHBondContact O-N 2.85Å; R119-W477 HydrophobicContact CB-CB 3.74Å; R119-W477 VanDerWaalsContact O-CB 3.3Å; R119-W477 WeakPolarHBondContact O-CB 3.44Å; R119-E552 IonicContact CZ-OE1 2.8Å; R119-E552 IonicContact NH1-OE1 3.31Å; R119-E552 PolarHBondContact NH1-OE1 2.96Å; R119-E552 IonicContact NH2-OE1 3.28Å; R119-E552 PolarHBondContact NH2-OE1 3.22Å |
| 120 | A | 77.2 | Confident | 74 | Confident | 27 Ų | 27 | 60.8 Ų | 60.8 | 22% | 0.223 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -69.9 | 137.7 | 179 | 0 | 0 | 0 | 0 | 0 | 110.7 | N117 T122 | N117-A120 WeakPolarHBondContact O-CB 3.49Å; N117-A120 PolarHBondContact O-N 2.83Å; A120-T122 PolarHBondContact O-N 3.04Å; A120-T122 VanDerWaalsContact O-N 3.16Å |
| 121 | P | 67.5 | Low | 74.4 | Confident | 65 Ų | 65 | 56.7 Ų | 56.7 | 42% | 0.422 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 117 | 173.3 | 26.3 | -31.1 | 0 | 0 | 0 | 109.1 | A128 W477 | P121-A128 HydrophobicContact CB-CB 4.47Å; P121-W477 HydrophobicContact CG-CD2 4.49Å; P121-W477 HydrophobicContact CG-CE3 4.17Å; P121-W477 HydrophobicContact CG-CH2 3.62Å; P121-W477 HydrophobicContact CG-CZ2 3.97Å; P121-W477 HydrophobicContact CG-CZ3 3.72Å |
| 122 | T | 63.7 | Low | 74.8 | Confident | 51 Ų | 51 | 53.7 Ų | 53.7 | 31% | 0.313 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -101.4 | 165.1 | 166.7 | 61.8 | 0 | 0 | 0 | 0 | 108.9 | K114 A120 S124 | K114-T122 HydrophobicContact CG-CG2 3.99Å; A120-T122 PolarHBondContact O-N 3.04Å; A120-T122 VanDerWaalsContact O-N 3.16Å; T122-S124 PolarHBondContact O-N 2.85Å |
| 123 | T | 47.3 | Very low | 74.9 | Confident | 146 Ų | 146 | 53.7 Ų | 53.7 | 90% | 0.896 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -54.9 | -4.8 | -175.1 | 39 | 0 | 0 | 0 | 0 | 116 | ||
| 124 | S | 45.1 | Very low | 75.1 | Confident | 62 Ų | 62 | 51.6 Ų | 51.6 | 43% | 0.434 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -89.6 | 103.6 | 175.3 | -46.4 | 0 | 0 | 0 | 0 | 109.8 | T122 G126 | T122-S124 PolarHBondContact O-N 2.85Å; S124-G126 PolarHBondContact O-N 2.85Å |
| 125 | Q | 45.3 | Very low | 75.3 | Confident | 201 Ų | 201 | 48.9 Ų | 48.9 | 94% | 0.939 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 127.3 | 175.7 | -72.4 | -173.2 | -14.7 | 0 | 0 | 111.1 | ||
| 126 | G | 53.5 | Low | 75.5 | Confident | 83 Ų | 83 | 51.1 Ų | 51.1 | 86% | 0.856 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111.7 | -8.2 | 157.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | S124 | S124-G126 PolarHBondContact O-N 2.85Š|
| 127 | E | 63.2 | Low | 75.4 | Confident | 48 Ų | 48 | 52.5 Ų | 52.5 | 22% | 0.224 | 30% | 0.3 | C | S | . | . | trans | -126.2 | 3.5 | -173.5 | -68.2 | -157.1 | 166.6 | 0 | 0 | 117.1 | G129 D130 G133 M134 F137 | E127-G129 PolarHBondContact O-N 3.43Å; E127-D130 PolarHBondContact O-N 2.95Å; E127-D130 VanDerWaalsContact O-N 3.12Å; E127-G133 WeakPolarHBondContact OE2-CA 3.41Å; E127-G133 VanDerWaalsContact OE2-O 3.04Å; E127-M134 PolarHBondContact OE2-N 3.43Å; E127-M134 VanDerWaalsContact OE2-N 3.13Å; E127-F137 HydrophobicContact CG-CD2 4.32Å; E127-F137 HydrophobicContact CG-CE2 3.77Å; E127-F137 WeakPolarHBondContact OE1-CE2 3.46Å; E127-F137 WeakPolarHBondContact OE2-CD2 3.45Å; E127-F137 WeakPolarHBondContact OE2-CE2 3.49Å | ||
| 128 | A | 71.9 | Confident | 75.5 | Confident | 21 Ų | 21 | 48.7 Ų | 48.7 | 17% | 0.174 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 125.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | P121 G483 | P121-A128 HydrophobicContact CB-CB 4.47Å; A128-G483 CarbonylContact O-C 3.56Å; A128-G483 WeakPolarHBondContact O-CA 3.38Å |
| 129 | G | 79.3 | Confident | 75.6 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | 6.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y118 E127 K479 G480 | Y118-G129 PolarHBondContact O-N 3.4Å; E127-G129 PolarHBondContact O-N 3.43Å; G129-K479 WeakPolarHBondContact O-CA 3.22Å; G129-G480 PolarHBondContact O-N 3.23Å |
| 130 | D | 87.5 | Confident | 75.7 | Confident | 29 Ų | 29 | 50 Ų | 50 | 16% | 0.155 | 29% | 0.288 | C | S | . | . | trans | -114.4 | 97.4 | 162.5 | -173.2 | 8.4 | 0 | 0 | 0 | 110.7 | E127 A132 G133 M134 R194 K201 | E127-D130 PolarHBondContact O-N 2.95Å; E127-D130 VanDerWaalsContact O-N 3.12Å; D130-A132 VanDerWaalsContact C-N 3.27Å; D130-A132 PolarHBondContact O-N 3.26Å; D130-A132 PolarHBondContact OD1-N 2.99Å; D130-G133 PolarHBondContact O-N 2.92Å; D130-M134 PolarHBondContact O-N 2.92Å; D130-R194 IonicContact OD2-CZ 2.8Å; D130-R194 IonicContact OD2-NE 2.79Å; D130-R194 IonicContact OD2-NH2 3.88Å; D130-R194 PolarHBondContact OD2-NH2 3.36Å; D130-K201 VanDerWaalsContact OD1-CE 3.26Å; D130-K201 WeakPolarHBondContact OD1-CE 3.29Å | ||
| 131 | F | 91.3 | Very high | 75.8 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.018 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.4 | -38 | -178.9 | 179 | -101.2 | 0 | 0 | 0 | 112.7 | E92 L95 A96 L115 Y118 M134 A135 I193 L197 | E92-F131 HydrophobicContact CB-CB 4.35Å; E92-F131 HydrophobicContact CB-CD1 4.3Å; E92-F131 HydrophobicContact CB-CD2 4.09Å; E92-F131 HydrophobicContact CB-CG 3.97Å; E92-F131 HydrophobicContact CG-CB 3.9Å; E92-F131 HydrophobicContact CG-CD1 4.2Å; E92-F131 HydrophobicContact CG-CG 3.95Å; L95-F131 HydrophobicContact CB-CE1 3.51Å; L95-F131 HydrophobicContact CB-CZ 3.63Å; L95-F131 HydrophobicContact CD1-CD1 4.42Å; L95-F131 HydrophobicContact CD1-CE1 3.87Å; L95-F131 HydrophobicContact CG-CE1 4.34Å; A96-F131 HydrophobicContact CB-CE2 3.87Å; A96-F131 HydrophobicContact CB-CZ 4.21Å; L115-F131 HydrophobicContact CD2-CE2 4.2Å; Y118-F131 HydrophobicContact CD1-CB 4.24Å; Y118-F131 AromaticContact CD1-CD2 3.88Å; Y118-F131 HydrophobicContact CD1-CD2 3.88Å; Y118-F131 HydrophobicContact CD1-CG 4.47Å; Y118-F131 HydrophobicContact CD2-CB 3.74Å; Y118-F131 HydrophobicContact CE1-CB 4.36Å; Y118-F131 HydrophobicContact CE2-CB 3.91Å; Y118-F131 HydrophobicContact CG-CB 3.93Å; Y118-F131 AromaticContact CG-CD2 3.91Å; Y118-F131 HydrophobicContact CG-CD2 3.91Å; Y118-F131 HydrophobicContact CG-CG 4.42Å; F131-M134 PolarHBondContact O-N 3.15Å; F131-A135 VanDerWaalsContact O-CB 3.31Å; F131-A135 WeakPolarHBondContact O-CB 3.39Å; F131-A135 PolarHBondContact O-N 2.9Å; F131-I193 HydrophobicContact CD1-CG2 3.61Å; F131-I193 HydrophobicContact CE1-CD1 4.29Å; F131-I193 HydrophobicContact CE1-CG2 3.92Å; F131-L197 HydrophobicContact CD1-CD1 4.17Å |
| 132 | A | 92.4 | Very high | 76.2 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 2% | 0.017 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.7 | -41 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D130 Y136 K190 I193 R194 | D130-A132 VanDerWaalsContact C-N 3.27Å; D130-A132 PolarHBondContact O-N 3.26Å; D130-A132 PolarHBondContact OD1-N 2.99Å; A132-Y136 WeakPolarHBondContact O-CB 3.21Å; A132-Y136 PolarHBondContact O-N 3.03Å; A132-K190 HydrophobicContact CB-CG 4.32Å; A132-I193 HydrophobicContact CB-CB 4.16Å; A132-I193 HydrophobicContact CB-CG2 3.76Å; A132-R194 HydrophobicContact CB-CG 3.58Å |
| 133 | G | 89.9 | Confident | 76.8 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | E127 D130 A135 Y136 F137 | E127-G133 WeakPolarHBondContact OE2-CA 3.41Å; E127-G133 VanDerWaalsContact OE2-O 3.04Å; D130-G133 PolarHBondContact O-N 2.92Å; G133-A135 VanDerWaalsContact C-N 3.35Å; G133-A135 PolarHBondContact O-N 3.03Å; G133-Y136 WeakPolarHBondContact O-CA 3.34Å; G133-Y136 VanDerWaalsContact O-CB 3.27Å; G133-Y136 WeakPolarHBondContact O-CB 3.24Å; G133-Y136 PolarHBondContact O-N 3.06Å; G133-F137 PolarHBondContact O-N 3.43Å; G133-F137 VanDerWaalsContact O-N 3.07Å |
| 134 | M | 88.4 | Confident | 77.7 | Confident | 12 Ų | 12 | 58.9 Ų | 58.9 | 6% | 0.059 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 179.8 | -173.5 | 173.9 | -61.8 | 0 | 0 | 112.5 | K114 Y118 E127 D130 F131 Y136 F137 V138 | K114-M134 HydrophobicContact CB-CG 4.47Å; K114-M134 HydrophobicContact CB-SD 3.8Å; Y118-M134 VanDerWaalsContact CA-SD 3.56Å; Y118-M134 WeakPolarHBondContact O-CE 3.13Å; E127-M134 PolarHBondContact OE2-N 3.43Å; E127-M134 VanDerWaalsContact OE2-N 3.13Å; D130-M134 PolarHBondContact O-N 2.92Å; F131-M134 PolarHBondContact O-N 3.15Å; M134-Y136 VanDerWaalsContact C-N 3.32Å; M134-Y136 PolarHBondContact O-N 2.83Å; M134-F137 PolarHBondContact O-N 3.08Å; M134-V138 PolarHBondContact O-N 3.06Å |
| 135 | A | 90.3 | Very high | 78.8 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | L115 F131 G133 F137 V138 L139 I193 | L115-A135 HydrophobicContact CD2-CB 4.1Å; F131-A135 VanDerWaalsContact O-CB 3.31Å; F131-A135 WeakPolarHBondContact O-CB 3.39Å; F131-A135 PolarHBondContact O-N 2.9Å; G133-A135 VanDerWaalsContact C-N 3.35Å; G133-A135 PolarHBondContact O-N 3.03Å; A135-F137 VanDerWaalsContact C-N 3.33Å; A135-F137 PolarHBondContact O-N 3.02Å; A135-V138 PolarHBondContact O-N 2.69Å; A135-L139 HydrophobicContact CB-CD1 4.38Å; A135-L139 WeakPolarHBondContact O-CB 3.31Å; A135-L139 WeakPolarHBondContact O-CD1 3.4Å; A135-L139 WeakPolarHBondContact O-CG 3.49Å; A135-L139 PolarHBondContact O-N 2.94Å; A135-I193 HydrophobicContact CB-CD1 3.58Å |
| 136 | Y | 91 | Very high | 80 | Confident | 48 Ų | 48 | 57.9 Ų | 57.9 | 19% | 0.188 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.2 | -43.6 | 176.1 | 172.8 | -106.6 | 0 | 0 | 0 | 112.7 | A132 G133 M134 V138 L139 K140 A186 L187 K190 | A132-Y136 WeakPolarHBondContact O-CB 3.21Å; A132-Y136 PolarHBondContact O-N 3.03Å; G133-Y136 WeakPolarHBondContact O-CA 3.34Å; G133-Y136 VanDerWaalsContact O-CB 3.27Å; G133-Y136 WeakPolarHBondContact O-CB 3.24Å; G133-Y136 PolarHBondContact O-N 3.06Å; M134-Y136 VanDerWaalsContact C-N 3.32Å; M134-Y136 PolarHBondContact O-N 2.83Å; Y136-V138 PolarHBondContact O-N 3.03Å; Y136-L139 PolarHBondContact O-N 3.19Å; Y136-K140 HydrophobicContact CE1-CD 4.28Å; Y136-K140 VanDerWaalsContact O-CB 3.31Å; Y136-K140 WeakPolarHBondContact O-CB 3.31Å; Y136-K140 PolarHBondContact O-N 3.49Å; Y136-A186 HydrophobicContact CD2-CB 4Å; Y136-A186 WeakPolarHBondContact CD2-O 3.26Å; Y136-A186 HydrophobicContact CE2-CB 4.03Å; Y136-L187 HydrophobicContact CE2-CB 4.27Å; Y136-K190 HydrophobicContact CD2-CB 4.27Å; Y136-K190 HydrophobicContact CD2-CD 4.42Å; Y136-K190 HydrophobicContact CG-CB 4.42Å; Y136-K190 HydrophobicContact CG-CD 4.14Å |
| 137 | F | 86.8 | Confident | 81.1 | Confident | 104 Ų | 104 | 54.8 Ų | 54.8 | 46% | 0.456 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.1 | -35 | 177.9 | -80.6 | -45.7 | 0 | 0 | 0 | 114 | E127 G133 M134 A135 | E127-F137 HydrophobicContact CG-CD2 4.32Å; E127-F137 HydrophobicContact CG-CE2 3.77Å; E127-F137 WeakPolarHBondContact OE1-CE2 3.46Å; E127-F137 WeakPolarHBondContact OE2-CD2 3.45Å; E127-F137 WeakPolarHBondContact OE2-CE2 3.49Å; G133-F137 PolarHBondContact O-N 3.43Å; G133-F137 VanDerWaalsContact O-N 3.07Å; M134-F137 PolarHBondContact O-N 3.08Å; A135-F137 VanDerWaalsContact C-N 3.33Å; A135-F137 PolarHBondContact O-N 3.02Å |
| 138 | V | 86.1 | Confident | 82.2 | Confident | 13 Ų | 13 | 57.6 Ų | 57.6 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.3 | -41 | 173.3 | 176.9 | 0 | 0 | 0 | 0 | 110.4 | L103 L105 E111 L115 M134 A135 Y136 | L103-V138 HydrophobicContact CD1-CG1 4.09Å; L105-V138 HydrophobicContact CD1-CG1 4.02Å; E111-V138 HydrophobicContact CB-CG1 4.25Å; E111-V138 HydrophobicContact CB-CG2 4.31Å; L115-V138 HydrophobicContact CD1-CG1 4.45Å; L115-V138 HydrophobicContact CD2-CG2 4.31Å; L115-V138 HydrophobicContact CG-CG2 4.39Å; M134-V138 PolarHBondContact O-N 3.06Å; A135-V138 PolarHBondContact O-N 2.69Å; Y136-V138 PolarHBondContact O-N 3.03Å |
| 139 | L | 86.5 | Confident | 83.2 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -74.3 | -37.9 | -177.4 | -70.3 | 166.1 | 0 | 0 | 0 | 113.4 | Y99 L103 A135 Y136 K141 R142 C143 A186 Q189 | Y99-L139 HydrophobicContact CD1-CD2 3.92Å; Y99-L139 HydrophobicContact CE1-CD1 3.84Å; Y99-L139 HydrophobicContact CE1-CD2 3.71Å; Y99-L139 HydrophobicContact CE1-CG 4.28Å; L103-L139 HydrophobicContact CD1-CD2 3.74Å; L103-L139 HydrophobicContact CD2-CD2 3.94Å; L103-L139 HydrophobicContact CG-CD2 4.34Å; A135-L139 HydrophobicContact CB-CD1 4.38Å; A135-L139 WeakPolarHBondContact O-CB 3.31Å; A135-L139 WeakPolarHBondContact O-CD1 3.4Å; A135-L139 WeakPolarHBondContact O-CG 3.49Å; A135-L139 PolarHBondContact O-N 2.94Å; Y136-L139 PolarHBondContact O-N 3.19Å; L139-K141 PolarHBondContact O-N 3.49Å; L139-R142 PolarHBondContact O-N 2.85Å; L139-C143 PolarHBondContact O-N 3.4Å; L139-A186 HydrophobicContact CB-CB 3.84Å; L139-Q189 HydrophobicContact CD1-CB 3.95Å |
| 140 | K | 85.3 | Confident | 84 | Confident | 128 Ų | 128 | 57.3 Ų | 57.3 | 56% | 0.557 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -55.6 | -30.9 | -174.9 | -174.2 | -177.3 | 179.8 | -170.7 | 0 | 112.8 | Y136 | Y136-K140 HydrophobicContact CE1-CD 4.28Å; Y136-K140 VanDerWaalsContact O-CB 3.31Å; Y136-K140 WeakPolarHBondContact O-CB 3.31Å; Y136-K140 PolarHBondContact O-N 3.49Å |
| 141 | K | 79.1 | Confident | 84.5 | Confident | 185 Ų | 185 | 56 Ų | 56 | 80% | 0.804 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -13 | 178.5 | -62.2 | -174.5 | 179.6 | -174.5 | 0 | 114 | L139 | L139-K141 PolarHBondContact O-N 3.49Š|
| 142 | R | 76.1 | Confident | 84.7 | Confident | 130 Ų | 130 | 59.5 Ų | 59.5 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.8 | -24.2 | -167 | -63 | -178.2 | 179.8 | -77.9 | -1.1 | 114 | L103 L139 | L103-R142 HydrophobicContact CD2-CB 4.48Å; L139-R142 PolarHBondContact O-N 2.85Å |
| 143 | C | 76.8 | Confident | 84.9 | Confident | 27 Ų | 27 | 63.3 Ų | 63.3 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | trans | -110.1 | 95.4 | 179.5 | -61.3 | 0 | 0 | 0 | 0 | 109.5 | L139 A186 | L139-C143 PolarHBondContact O-N 3.4Å; C143-A186 HydrophobicContact CB-CB 4.47Å | ||
| 144 | T | 66.9 | Low | 85.1 | Confident | 135 Ų | 135 | 63.2 Ų | 63.2 | 83% | 0.828 | 31% | 0.311 | S | S | * | . | trans | -96.3 | -8.2 | 179.1 | 51.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 145 | S | 67.6 | Low | 85.5 | Confident | 63 Ų | 63 | 63 Ų | 63 | 44% | 0.441 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 139.4 | 177.5 | 41.7 | 0 | 0 | 0 | 0 | 112.1 | ||
| 146 | Q | 71.1 | Confident | 85.7 | Confident | 179 Ų | 179 | 66.3 Ų | 66.3 | 84% | 0.836 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -75.8 | 135.3 | 166.4 | -68.1 | -173.9 | -10.9 | 0 | 0 | 108.8 | ||
| 147 | G | 76.3 | Confident | 85.8 | Confident | 18 Ų | 18 | 66.4 Ų | 66.4 | 19% | 0.186 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 145.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q183 E188 | G147-Q183 WeakPolarHBondContact CA-O 3.48Å; G147-E188 VanDerWaalsContact CA-OE2 3.29Å; G147-E188 WeakPolarHBondContact CA-OE2 3.16Å |
| 148 | N | 85 | Confident | 86.2 | Confident | 106 Ų | 106 | 61.4 Ų | 61.4 | 57% | 0.567 | 31% | 0.307 | S | S | * | . | trans | -116.5 | -0.1 | -177.6 | 60.8 | -2.7 | 0 | 0 | 0 | 113 | Q183 | N148-Q183 PolarHBondContact ND2-OE1 3.29Å; N148-Q183 PolarHBondContact OD1-O 3.37Å; N148-Q183 PolarHBondContact OD1-OE1 3.5Å | ||
| 149 | L | 93.3 | Very high | 86.6 | Confident | 7 Ų | 7 | 62.9 Ų | 62.9 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | trans | -77.5 | 137.7 | -173.6 | -59.2 | -179.5 | 0 | 0 | 0 | 111.6 | F22 E153 V154 F157 Q183 | F22-L149 WeakPolarHBondContact CB-O 3.35Å; F22-L149 PolarHBondContact N-O 2.7Å; L149-E153 HydrophobicContact CD2-CB 4.38Å; L149-V154 HydrophobicContact CB-CG2 3.92Å; L149-V154 HydrophobicContact CD1-CG2 4Å; L149-F157 HydrophobicContact CD2-CE2 4.06Å; L149-Q183 HydrophobicContact CD1-CB 4.14Å; L149-Q183 HydrophobicContact CD2-CB 4.02Å; L149-Q183 HydrophobicContact CG-CB 4.06Å | ||
| 150 | S | 96.3 | Very high | 86.9 | Confident | 11 Ų | 11 | 64.9 Ų | 64.9 | 8% | 0.077 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -78.8 | 163.1 | 164.9 | 65.5 | 0 | 0 | 0 | 0 | 111.6 | A18 V20 K152 E153 V154 | A18-S150 WeakPolarHBondContact O-CB 3.26Å; V20-S150 WeakPolarHBondContact O-CA 3.09Å; S150-K152 PolarHBondContact O-N 3.01Å; S150-E153 WeakPolarHBondContact CB-OE2 3.49Å; S150-E153 PolarHBondContact N-OE2 2.99Å; S150-E153 PolarHBondContact O-N 3.49Å; S150-E153 VanDerWaalsContact OG-CG 3.29Å; S150-E153 WeakPolarHBondContact OG-CG 3.47Å; S150-E153 PolarHBondContact OG-N 2.9Å; S150-E153 PolarHBondContact OG-OE2 2.95Å; S150-V154 PolarHBondContact O-N 2.86Å; S150-V154 VanDerWaalsContact O-N 3.1Å |
| 151 | I | 97.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.4 | -33.1 | 174.4 | -69.9 | 167.8 | 0 | 0 | 0 | 111.4 | A17 V20 F22 L25 F48 W52 P72 L76 N155 | A17-I151 HydrophobicContact CB-CB 4.43Å; A17-I151 HydrophobicContact CB-CG2 4.26Å; A17-I151 PolarHBondContact O-N 2.9Å; V20-I151 HydrophobicContact CB-CD1 4.02Å; V20-I151 HydrophobicContact CG1-CD1 3.55Å; V20-I151 HydrophobicContact CG1-CG1 4.49Å; V20-I151 PolarHBondContact O-N 3.16Å; F22-I151 HydrophobicContact CD2-CG1 4.31Å; L25-I151 HydrophobicContact CB-CD1 3.97Å; L25-I151 HydrophobicContact CB-CG1 4.4Å; L25-I151 HydrophobicContact CD2-CD1 4.28Å; L25-I151 HydrophobicContact CD2-CG1 4.4Å; F48-I151 HydrophobicContact CZ-CD1 4.5Å; W52-I151 HydrophobicContact CH2-CD1 4.39Å; W52-I151 HydrophobicContact CZ3-CD1 3.74Å; P72-I151 HydrophobicContact CB-CG2 3.99Å; L76-I151 HydrophobicContact CD1-CG2 4.15Å; I151-N155 PolarHBondContact O-N 2.79Å; I151-N155 VanDerWaalsContact O-N 3.17Å; I151-N155 PolarHBondContact O-ND2 3.11Å |
| 152 | K | 96.8 | Very high | 87.8 | Confident | 79 Ų | 79 | 50.1 Ų | 50.1 | 34% | 0.343 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.6 | -52.5 | 175.1 | -173.6 | -171.7 | 179.1 | -47 | 0 | 111 | A17 A18 S150 V154 N155 D156 | A17-K152 HydrophobicContact CB-CB 4.02Å; A17-K152 PolarHBondContact O-N 3.39Å; A18-K152 HydrophobicContact CB-CB 4.26Å; A18-K152 HydrophobicContact CB-CD 3.94Å; S150-K152 PolarHBondContact O-N 3.01Å; K152-V154 VanDerWaalsContact C-N 3.3Å; K152-V154 PolarHBondContact O-N 3.38Å; K152-N155 WeakPolarHBondContact O-CA 3.47Å; K152-N155 WeakPolarHBondContact O-CB 3.45Å; K152-N155 PolarHBondContact O-N 2.87Å; K152-D156 IonicContact NZ-OD1 3.13Å; K152-D156 PolarHBondContact NZ-OD1 2.94Å; K152-D156 IonicContact NZ-OD2 2.61Å; K152-D156 PolarHBondContact NZ-OD2 2.84Å; K152-D156 VanDerWaalsContact O-CG 3.32Å; K152-D156 PolarHBondContact O-N 2.88Å |
| 153 | E | 95.3 | Very high | 88.6 | Confident | 81 Ų | 81 | 49 Ų | 49 | 38% | 0.379 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.4 | -42 | -178.8 | -72.1 | 162.2 | 134.8 | 0 | 0 | 111.4 | L149 S150 N155 D156 F157 | L149-E153 HydrophobicContact CD2-CB 4.38Å; S150-E153 WeakPolarHBondContact CB-OE2 3.49Å; S150-E153 PolarHBondContact N-OE2 2.99Å; S150-E153 PolarHBondContact O-N 3.49Å; S150-E153 VanDerWaalsContact OG-CG 3.29Å; S150-E153 WeakPolarHBondContact OG-CG 3.47Å; S150-E153 PolarHBondContact OG-N 2.9Å; S150-E153 PolarHBondContact OG-OE2 2.95Å; E153-N155 VanDerWaalsContact C-N 3.29Å; E153-N155 PolarHBondContact O-N 3.27Å; E153-D156 PolarHBondContact O-N 2.92Å; E153-F157 HydrophobicContact CB-CD2 4.47Å; E153-F157 HydrophobicContact CB-CE2 4.21Å; E153-F157 WeakPolarHBondContact O-CD2 3.31Å; E153-F157 PolarHBondContact O-N 3.08Å |
| 154 | V | 95.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.2 | -42.2 | 173.9 | 168.8 | 0 | 0 | 0 | 0 | 111.8 | F22 L76 L149 S150 K152 L158 L192 | F22-V154 HydrophobicContact CB-CG2 3.9Å; F22-V154 HydrophobicContact CD1-CG2 3.89Å; F22-V154 HydrophobicContact CD2-CB 4.25Å; F22-V154 HydrophobicContact CD2-CG1 4.21Å; F22-V154 HydrophobicContact CD2-CG2 3.9Å; F22-V154 HydrophobicContact CE1-CG2 4.39Å; F22-V154 HydrophobicContact CE2-CG1 4.03Å; F22-V154 HydrophobicContact CE2-CG2 4.4Å; F22-V154 HydrophobicContact CG-CB 4.45Å; F22-V154 HydrophobicContact CG-CG2 3.62Å; F22-V154 HydrophobicContact CZ-CG1 4.33Å; L76-V154 HydrophobicContact CD1-CG1 4.25Å; L149-V154 HydrophobicContact CB-CG2 3.92Å; L149-V154 HydrophobicContact CD1-CG2 4Å; S150-V154 PolarHBondContact O-N 2.86Å; S150-V154 VanDerWaalsContact O-N 3.1Å; K152-V154 VanDerWaalsContact C-N 3.3Å; K152-V154 PolarHBondContact O-N 3.38Å; V154-L158 HydrophobicContact CG1-CD1 3.93Å; V154-L158 HydrophobicContact CG1-CG 4.47Å; V154-L158 WeakPolarHBondContact O-CB 3.42Å; V154-L158 VanDerWaalsContact O-CG 3.22Å; V154-L158 WeakPolarHBondContact O-CG 3.28Å; V154-L158 PolarHBondContact O-N 3.2Å; V154-L192 HydrophobicContact CG1-CD2 3.53Å; V154-L192 HydrophobicContact CG2-CD2 4.46Å |
| 155 | N | 96.6 | Very high | 90.5 | Very high | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.032 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65 | -47.4 | 175.5 | -84.4 | -68.5 | 0 | 0 | 0 | 111.9 | P72 R75 R85 I151 K152 E153 F157 L158 D159 | P72-N155 PolarHBondContact O-ND2 3.49Å; R75-N155 VanDerWaalsContact CD-OD1 3.29Å; R75-N155 WeakPolarHBondContact CD-OD1 3.16Å; R85-N155 PolarHBondContact NH2-O 3.22Å; R85-N155 PolarHBondContact NH2-OD1 3.21Å; I151-N155 PolarHBondContact O-N 2.79Å; I151-N155 VanDerWaalsContact O-N 3.17Å; I151-N155 PolarHBondContact O-ND2 3.11Å; K152-N155 WeakPolarHBondContact O-CA 3.47Å; K152-N155 WeakPolarHBondContact O-CB 3.45Å; K152-N155 PolarHBondContact O-N 2.87Å; E153-N155 VanDerWaalsContact C-N 3.29Å; E153-N155 PolarHBondContact O-N 3.27Å; N155-F157 VanDerWaalsContact C-N 3.26Å; N155-F157 PolarHBondContact O-N 3.01Å; N155-L158 PolarHBondContact O-N 3.22Å; N155-L158 VanDerWaalsContact O-N 3.08Å; N155-D159 PolarHBondContact O-N 2.95Å; N155-D159 VanDerWaalsContact O-OD2 3.08Å |
| 156 | D | 94.6 | Very high | 91.6 | Very high | 72 Ų | 72 | 45 Ų | 45 | 39% | 0.385 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.4 | -41.8 | 178.1 | -61.5 | -23.6 | 0 | 0 | 0 | 111.1 | K152 E153 D159 S160 | K152-D156 IonicContact NZ-OD1 3.13Å; K152-D156 PolarHBondContact NZ-OD1 2.94Å; K152-D156 IonicContact NZ-OD2 2.61Å; K152-D156 PolarHBondContact NZ-OD2 2.84Å; K152-D156 VanDerWaalsContact O-CG 3.32Å; K152-D156 PolarHBondContact O-N 2.88Å; E153-D156 PolarHBondContact O-N 2.92Å; D156-D159 PolarHBondContact O-N 2.88Å; D156-S160 PolarHBondContact O-N 2.94Å |
| 157 | F | 92.3 | Very high | 92.6 | Very high | 49 Ų | 49 | 39.6 Ų | 39.6 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.1 | -44.4 | 175.1 | -76.3 | -58.3 | 0 | 0 | 0 | 112.8 | L149 E153 N155 D159 S160 V161 H179 L180 | L149-F157 HydrophobicContact CD2-CE2 4.06Å; E153-F157 HydrophobicContact CB-CD2 4.47Å; E153-F157 HydrophobicContact CB-CE2 4.21Å; E153-F157 WeakPolarHBondContact O-CD2 3.31Å; E153-F157 PolarHBondContact O-N 3.08Å; N155-F157 VanDerWaalsContact C-N 3.26Å; N155-F157 PolarHBondContact O-N 3.01Å; F157-D159 VanDerWaalsContact C-N 3.31Å; F157-D159 PolarHBondContact O-N 2.76Å; F157-S160 WeakPolarHBondContact O-CB 3.45Å; F157-S160 PolarHBondContact O-N 3.16Å; F157-V161 WeakPolarHBondContact O-CG2 3.28Å; F157-V161 PolarHBondContact O-N 2.74Å; F157-H179 AromaticContact CE1-CD2 3.21Å; F157-H179 WeakPolarHBondContact CE1-CD2 3.29Å; F157-H179 AromaticContact CE1-NE2 3.69Å; F157-H179 AromaticContact CE2-CD2 3.81Å; F157-H179 AromaticContact CE2-NE2 3.92Å; F157-H179 AromaticContact CZ-CD2 3.1Å; F157-H179 WeakPolarHBondContact CZ-CD2 3.19Å; F157-H179 AromaticContact CZ-NE2 3.15Å; F157-H179 WeakPolarHBondContact CZ-NE2 3.43Å; F157-L180 HydrophobicContact CB-CD1 3.93Å |
| 158 | L | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.7 | -35.1 | 178.2 | -70.4 | 173 | 0 | 0 | 0 | 111.6 | L76 R85 Y88 V154 N155 V161 A162 L180 I196 | L76-L158 HydrophobicContact CD2-CD1 3.73Å; R85-L158 VanDerWaalsContact CZ-CB 3.41Å; R85-L158 VanDerWaalsContact NH1-CD1 3.35Å; Y88-L158 HydrophobicContact CE1-CB 3.95Å; Y88-L158 HydrophobicContact CE1-CD2 3.98Å; Y88-L158 WeakPolarHBondContact CE1-O 3.25Å; V154-L158 HydrophobicContact CG1-CD1 3.93Å; V154-L158 HydrophobicContact CG1-CG 4.47Å; V154-L158 WeakPolarHBondContact O-CB 3.42Å; V154-L158 VanDerWaalsContact O-CG 3.22Å; V154-L158 WeakPolarHBondContact O-CG 3.28Å; V154-L158 PolarHBondContact O-N 3.2Å; N155-L158 PolarHBondContact O-N 3.22Å; N155-L158 VanDerWaalsContact O-N 3.08Å; L158-V161 PolarHBondContact O-N 2.81Å; L158-A162 PolarHBondContact O-N 2.86Å; L158-L180 HydrophobicContact CD2-CD1 4.41Å; L158-I196 HydrophobicContact CD2-CD1 4.17Å; L158-I196 HydrophobicContact CD2-CG1 3.68Å |
| 159 | D | 94.4 | Very high | 93.5 | Very high | 43 Ų | 43 | 46.8 Ų | 46.8 | 23% | 0.23 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62 | -46.8 | 171.5 | -70.4 | -38.3 | 0 | 0 | 0 | 110.5 | R75 R85 N155 D156 F157 V161 A162 I163 | R75-D159 IonicContact NH1-OD1 2.72Å; R75-D159 IonicContact NH1-OD2 2.73Å; R75-D159 IonicContact NH2-OD1 2.91Å; R85-D159 IonicContact CZ-OD1 3.67Å; R85-D159 VanDerWaalsContact CZ-OD1 3.3Å; R85-D159 IonicContact NE-OD1 3.37Å; R85-D159 PolarHBondContact NE-OD1 3.31Å; R85-D159 IonicContact NH2-OD1 3.17Å; R85-D159 PolarHBondContact NH2-OD1 2.71Å; R85-D159 VanDerWaalsContact NH2-OD1 3.09Å; R85-D159 IonicContact NH2-OD2 3.05Å; R85-D159 PolarHBondContact NH2-OD2 2.87Å; N155-D159 PolarHBondContact O-N 2.95Å; N155-D159 VanDerWaalsContact O-OD2 3.08Å; D156-D159 PolarHBondContact O-N 2.88Å; F157-D159 VanDerWaalsContact C-N 3.31Å; F157-D159 PolarHBondContact O-N 2.76Å; D159-V161 PolarHBondContact O-N 2.85Å; D159-A162 PolarHBondContact O-N 2.8Å; D159-A162 VanDerWaalsContact O-N 3.17Å; D159-I163 VanDerWaalsContact O-CG1 3.3Å; D159-I163 WeakPolarHBondContact O-CG1 3.49Å; D159-I163 PolarHBondContact O-N 3.17Å |
| 160 | S | 92.8 | Very high | 93.1 | Very high | 43 Ų | 43 | 54.5 Ų | 54.5 | 30% | 0.301 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56 | -45.6 | 173.8 | -176.5 | 0 | 0 | 0 | 0 | 112.4 | D156 F157 A162 I163 N164 S176 | D156-S160 PolarHBondContact O-N 2.94Å; F157-S160 WeakPolarHBondContact O-CB 3.45Å; F157-S160 PolarHBondContact O-N 3.16Å; S160-A162 PolarHBondContact O-N 3.39Å; S160-I163 PolarHBondContact O-N 3.04Å; S160-N164 VanDerWaalsContact O-CB 3.3Å; S160-N164 WeakPolarHBondContact O-CB 3.49Å; S160-N164 PolarHBondContact O-N 2.94Å; S160-N164 PolarHBondContact O-ND2 2.67Å; S160-N164 VanDerWaalsContact O-ND2 3.08Å; S160-N164 PolarHBondContact OG-ND2 3.04Å; S160-S176 PolarHBondContact OG-OG 3.31Å |
| 161 | V | 91.9 | Very high | 92.7 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 176.5 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | Y88 I90 F157 L158 D159 N165 V173 L177 | Y88-V161 HydrophobicContact CD1-CB 4.32Å; Y88-V161 HydrophobicContact CD1-CG1 3.82Å; Y88-V161 HydrophobicContact CG-CG1 4.49Å; I90-V161 HydrophobicContact CD1-CG1 3.63Å; F157-V161 WeakPolarHBondContact O-CG2 3.28Å; F157-V161 PolarHBondContact O-N 2.74Å; L158-V161 PolarHBondContact O-N 2.81Å; D159-V161 PolarHBondContact O-N 2.85Å; V161-N165 WeakPolarHBondContact O-CB 3.45Å; V161-N165 PolarHBondContact O-N 2.62Å; V161-V173 HydrophobicContact CG1-CG1 4.18Å; V161-L177 HydrophobicContact CG2-CD2 4.18Å; V161-L177 HydrophobicContact CG2-CG 4.26Å |
| 162 | A | 92.1 | Very high | 92.2 | Very high | 2 Ų | 2 | 63.8 Ų | 63.8 | 2% | 0.017 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.3 | -43.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R85 M86 Y88 L158 D159 S160 N165 A166 | R85-A162 HydrophobicContact CG-CB 3.49Å; R85-A162 VanDerWaalsContact CG-CB 3.49Å; M86-A162 HydrophobicContact CB-CB 4.43Å; Y88-A162 HydrophobicContact CD1-CB 4.12Å; Y88-A162 HydrophobicContact CE1-CB 4.35Å; L158-A162 PolarHBondContact O-N 2.86Å; D159-A162 PolarHBondContact O-N 2.8Å; D159-A162 VanDerWaalsContact O-N 3.17Å; S160-A162 PolarHBondContact O-N 3.39Å; A162-N165 PolarHBondContact O-N 2.73Å; A162-A166 WeakPolarHBondContact O-CB 3.48Å; A162-A166 PolarHBondContact O-N 3.49Å |
| 163 | I | 93.4 | Very high | 91.6 | Very high | 106 Ų | 106 | 60.5 Ų | 60.5 | 54% | 0.544 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63 | -46.1 | 177.3 | -68.3 | 165.1 | 0 | 0 | 0 | 110.9 | D159 S160 N165 A166 S167 | D159-I163 VanDerWaalsContact O-CG1 3.3Å; D159-I163 WeakPolarHBondContact O-CG1 3.49Å; D159-I163 PolarHBondContact O-N 3.17Å; S160-I163 PolarHBondContact O-N 3.04Å; I163-N165 VanDerWaalsContact C-N 3.34Å; I163-N165 PolarHBondContact O-N 2.69Å; I163-A166 PolarHBondContact O-N 3.08Å; I163-S167 WeakPolarHBondContact O-CB 3.43Å; I163-S167 PolarHBondContact O-N 2.59Å; I163-S167 PolarHBondContact O-OG 3.12Å |
| 164 | N | 92 | Very high | 91 | Very high | 25 Ų | 25 | 61.1 Ų | 61.1 | 13% | 0.134 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.1 | -38.2 | 179 | -71.9 | -31.6 | 0 | 0 | 0 | 111.7 | S160 S167 K168 Q169 Q172 V173 | S160-N164 VanDerWaalsContact O-CB 3.3Å; S160-N164 WeakPolarHBondContact O-CB 3.49Å; S160-N164 PolarHBondContact O-N 2.94Å; S160-N164 PolarHBondContact O-ND2 2.67Å; S160-N164 VanDerWaalsContact O-ND2 3.08Å; S160-N164 PolarHBondContact OG-ND2 3.04Å; N164-S167 CarbonylContact O-C 3.46Å; N164-S167 PolarHBondContact O-N 2.76Å; N164-K168 PolarHBondContact O-N 2.94Å; N164-K168 VanDerWaalsContact O-N 3.14Å; N164-Q169 HydrophobicContact CB-CB 4.43Å; N164-Q169 PolarHBondContact O-N 3.36Å; N164-Q172 HydrophobicContact CB-CB 4.22Å; N164-V173 HydrophobicContact CB-CG2 3.65Å |
| 165 | N | 91.4 | Very high | 90.5 | Very high | 53 Ų | 53 | 67.3 Ų | 67.3 | 28% | 0.283 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 173.7 | 177.3 | 64.9 | 0 | 0 | 0 | 111.9 | A87 Y88 G89 V161 A162 I163 S167 K168 V173 | A87-N165 PolarHBondContact O-ND2 2.67Å; Y88-N165 WeakPolarHBondContact O-CB 3.02Å; Y88-N165 VanDerWaalsContact O-CG 3.24Å; G89-N165 PolarHBondContact N-ND2 3.16Å; V161-N165 WeakPolarHBondContact O-CB 3.45Å; V161-N165 PolarHBondContact O-N 2.62Å; A162-N165 PolarHBondContact O-N 2.73Å; I163-N165 VanDerWaalsContact C-N 3.34Å; I163-N165 PolarHBondContact O-N 2.69Å; N165-S167 PolarHBondContact O-N 2.85Å; N165-K168 WeakPolarHBondContact O-CA 3.42Å; N165-K168 PolarHBondContact O-N 3.34Å; N165-V173 HydrophobicContact CB-CG2 4.09Å |
| 166 | A | 89.8 | Confident | 89.9 | Confident | 64 Ų | 64 | 67.9 Ų | 67.9 | 53% | 0.529 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.6 | -37.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A162 I163 K168 | A162-A166 WeakPolarHBondContact O-CB 3.48Å; A162-A166 PolarHBondContact O-N 3.49Å; I163-A166 PolarHBondContact O-N 3.08Å; A166-K168 PolarHBondContact O-N 3.44Å |
| 167 | S | 91.7 | Very high | 89.3 | Confident | 65 Ų | 65 | 64.6 Ų | 64.6 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 4.3 | 175.4 | -52.8 | 0 | 0 | 0 | 0 | 114 | I163 N164 N165 Q169 | I163-S167 WeakPolarHBondContact O-CB 3.43Å; I163-S167 PolarHBondContact O-N 2.59Å; I163-S167 PolarHBondContact O-OG 3.12Å; N164-S167 CarbonylContact O-C 3.46Å; N164-S167 PolarHBondContact O-N 2.76Å; N165-S167 PolarHBondContact O-N 2.85Å; S167-Q169 PolarHBondContact O-N 2.76Å |
| 168 | K | 90.9 | Very high | 88.8 | Confident | 185 Ų | 185 | 65.6 Ų | 65.6 | 80% | 0.804 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 23.2 | -178.4 | -56.5 | 176.2 | -178.8 | 172.2 | 0 | 114.7 | N164 N165 A166 K170 | N164-K168 PolarHBondContact O-N 2.94Å; N164-K168 VanDerWaalsContact O-N 3.14Å; N165-K168 WeakPolarHBondContact O-CA 3.42Å; N165-K168 PolarHBondContact O-N 3.34Å; A166-K168 PolarHBondContact O-N 3.44Å; K168-K170 PolarHBondContact O-N 2.91Å |
| 169 | Q | 90.6 | Very high | 88.1 | Confident | 91 Ų | 91 | 69.4 Ų | 69.4 | 43% | 0.425 | 35% | 0.353 | S | S | . | . | trans | -89.6 | 75.1 | -179.5 | -62.2 | -175.6 | 17.6 | 0 | 0 | 111.9 | N164 S167 D171 Q172 V173 | N164-Q169 HydrophobicContact CB-CB 4.43Å; N164-Q169 PolarHBondContact O-N 3.36Å; S167-Q169 PolarHBondContact O-N 2.76Å; Q169-D171 VanDerWaalsContact C-N 3.31Å; Q169-D171 PolarHBondContact O-N 2.96Å; Q169-Q172 HydrophobicContact CB-CB 4.19Å; Q169-Q172 HydrophobicContact CB-CG 4.21Å; Q169-Q172 PolarHBondContact O-N 3.29Å; Q169-V173 PolarHBondContact O-N 2.85Å; Q169-V173 VanDerWaalsContact O-N 3.12Å | ||
| 170 | K | 85.3 | Confident | 87.6 | Confident | 169 Ų | 169 | 67.5 Ų | 67.5 | 74% | 0.735 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -59 | -36.3 | -173.7 | -65.3 | -175.1 | -179.2 | 174.4 | 0 | 114.1 | K168 V173 K174 | K168-K170 PolarHBondContact O-N 2.91Å; K170-V173 WeakPolarHBondContact O-CB 3.2Å; K170-V173 PolarHBondContact O-N 3.11Å; K170-K174 PolarHBondContact O-N 3.46Å |
| 171 | D | 86.5 | Confident | 87 | Confident | 126 Ų | 126 | 65.9 Ų | 65.9 | 67% | 0.674 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -69.9 | -35.8 | -179.6 | -66.2 | -34.6 | 0 | 0 | 0 | 112.3 | Q169 K174 K175 | Q169-D171 VanDerWaalsContact C-N 3.31Å; Q169-D171 PolarHBondContact O-N 2.96Å; D171-K174 WeakPolarHBondContact O-CB 3.31Å; D171-K174 PolarHBondContact O-N 2.77Å; D171-K175 WeakPolarHBondContact O-CG 3.31Å; D171-K175 PolarHBondContact O-N 3.02Å |
| 172 | Q | 87.7 | Confident | 86.4 | Confident | 80 Ų | 80 | 69.2 Ų | 69.2 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -70.1 | -39 | 174.7 | -61.6 | -65.4 | 29.8 | 0 | 0 | 111.3 | N164 Q169 K174 K175 S176 | N164-Q172 HydrophobicContact CB-CB 4.22Å; Q169-Q172 HydrophobicContact CB-CB 4.19Å; Q169-Q172 HydrophobicContact CB-CG 4.21Å; Q169-Q172 PolarHBondContact O-N 3.29Å; Q172-K174 VanDerWaalsContact C-N 3.28Å; Q172-K174 PolarHBondContact O-N 2.63Å; Q172-K175 PolarHBondContact O-N 3.13Å; Q172-S176 PolarHBondContact O-N 3.27Å; Q172-S176 PolarHBondContact O-OG 2.96Å |
| 173 | V | 84.9 | Confident | 86.1 | Confident | 9 Ų | 9 | 72.2 Ų | 72.2 | 6% | 0.055 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -55.4 | -46 | 169.6 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | I90 V161 N164 N165 Q169 K170 K175 S176 L177 | I90-V173 HydrophobicContact CD1-CG1 4.38Å; I90-V173 HydrophobicContact CG1-CG1 4.49Å; V161-V173 HydrophobicContact CG1-CG1 4.18Å; N164-V173 HydrophobicContact CB-CG2 3.65Å; N165-V173 HydrophobicContact CB-CG2 4.09Å; Q169-V173 PolarHBondContact O-N 2.85Å; Q169-V173 VanDerWaalsContact O-N 3.12Å; K170-V173 WeakPolarHBondContact O-CB 3.2Å; K170-V173 PolarHBondContact O-N 3.11Å; V173-K175 PolarHBondContact O-N 3.24Å; V173-S176 PolarHBondContact O-N 3.19Å; V173-L177 HydrophobicContact CG1-CD1 3.92Å; V173-L177 HydrophobicContact CG1-CG 4.48Å; V173-L177 WeakPolarHBondContact O-CB 3.22Å; V173-L177 VanDerWaalsContact O-CG 3.28Å; V173-L177 WeakPolarHBondContact O-CG 3.43Å; V173-L177 PolarHBondContact O-N 2.82Å |
| 174 | K | 81.7 | Confident | 85.9 | Confident | 95 Ų | 95 | 67.2 Ų | 67.2 | 41% | 0.413 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 177 | -169.8 | 175.6 | -176.2 | 174 | 0 | 111.7 | L98 D101 K170 D171 Q172 L178 | L98-K174 HydrophobicContact CD1-CD 4.2Å; L98-K174 HydrophobicContact CD1-CG 3.65Å; D101-K174 IonicContact OD2-NZ 3.15Å; D101-K174 PolarHBondContact OD2-NZ 3.45Å; K170-K174 PolarHBondContact O-N 3.46Å; D171-K174 WeakPolarHBondContact O-CB 3.31Å; D171-K174 PolarHBondContact O-N 2.77Å; Q172-K174 VanDerWaalsContact C-N 3.28Å; Q172-K174 PolarHBondContact O-N 2.63Å; K174-L178 VanDerWaalsContact O-CB 3.31Å; K174-L178 WeakPolarHBondContact O-CB 3.45Å; K174-L178 PolarHBondContact O-N 2.77Å |
| 175 | K | 84.9 | Confident | 85.9 | Confident | 130 Ų | 130 | 66.7 Ų | 66.7 | 57% | 0.565 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65.2 | -45 | 178.6 | -75.5 | 175.4 | 178.2 | 178.8 | 0 | 112.9 | D171 Q172 V173 L177 L178 H179 | D171-K175 WeakPolarHBondContact O-CG 3.31Å; D171-K175 PolarHBondContact O-N 3.02Å; Q172-K175 PolarHBondContact O-N 3.13Å; V173-K175 PolarHBondContact O-N 3.24Å; K175-L177 PolarHBondContact O-N 3.46Å; K175-L178 WeakPolarHBondContact O-CB 3.38Å; K175-L178 PolarHBondContact O-N 2.8Å; K175-H179 PolarHBondContact O-N 3.33Å |
| 176 | S | 85.6 | Confident | 85.9 | Confident | 17 Ų | 17 | 64.6 Ų | 64.6 | 12% | 0.119 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 177 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | S160 Q172 V173 H179 L180 | S160-S176 PolarHBondContact OG-OG 3.31Å; Q172-S176 PolarHBondContact O-N 3.27Å; Q172-S176 PolarHBondContact O-OG 2.96Å; V173-S176 PolarHBondContact O-N 3.19Å; S176-H179 PolarHBondContact O-N 2.87Å; S176-L180 PolarHBondContact O-N 3.17Å; S176-L180 VanDerWaalsContact O-N 3.09Å |
| 177 | L | 81.8 | Confident | 86 | Confident | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 175.2 | -70.3 | 169.8 | 0 | 0 | 0 | 112.2 | I90 L98 V161 V173 K175 H179 L180 I181 I196 | I90-L177 HydrophobicContact CD1-CD1 3.53Å; I90-L177 HydrophobicContact CD1-CD2 3.71Å; I90-L177 HydrophobicContact CD1-CG 4.07Å; I90-L177 HydrophobicContact CG1-CD1 4.22Å; L98-L177 HydrophobicContact CD2-CB 3.55Å; L98-L177 HydrophobicContact CD2-CD1 3.84Å; L98-L177 HydrophobicContact CD2-CG 4.34Å; V161-L177 HydrophobicContact CG2-CD2 4.18Å; V161-L177 HydrophobicContact CG2-CG 4.26Å; V173-L177 HydrophobicContact CG1-CD1 3.92Å; V173-L177 HydrophobicContact CG1-CG 4.48Å; V173-L177 WeakPolarHBondContact O-CB 3.22Å; V173-L177 VanDerWaalsContact O-CG 3.28Å; V173-L177 WeakPolarHBondContact O-CG 3.43Å; V173-L177 PolarHBondContact O-N 2.82Å; K175-L177 PolarHBondContact O-N 3.46Å; L177-H179 VanDerWaalsContact C-N 3.32Å; L177-H179 PolarHBondContact O-N 2.61Å; L177-L180 PolarHBondContact O-N 3Å; L177-I181 WeakPolarHBondContact O-CB 3.27Å; L177-I181 VanDerWaalsContact O-CG1 3.23Å; L177-I181 WeakPolarHBondContact O-CG1 3.38Å; L177-I181 PolarHBondContact O-N 2.93Å; L177-I196 HydrophobicContact CD2-CD1 3.92Å |
| 178 | L | 80.1 | Confident | 86.2 | Confident | 69 Ų | 69 | 60 Ų | 60 | 36% | 0.361 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.5 | -46.7 | 176.4 | 178.4 | 62.2 | 0 | 0 | 0 | 111 | V102 K174 K175 L180 I181 T182 | V102-L178 HydrophobicContact CB-CD1 4.12Å; V102-L178 HydrophobicContact CG1-CD1 3.66Å; V102-L178 HydrophobicContact CG2-CD1 3.28Å; K174-L178 VanDerWaalsContact O-CB 3.31Å; K174-L178 WeakPolarHBondContact O-CB 3.45Å; K174-L178 PolarHBondContact O-N 2.77Å; K175-L178 WeakPolarHBondContact O-CB 3.38Å; K175-L178 PolarHBondContact O-N 2.8Å; L178-L180 PolarHBondContact O-N 3.18Å; L178-I181 PolarHBondContact O-N 3.4Å; L178-T182 HydrophobicContact CD1-CG2 4.13Å; L178-T182 HydrophobicContact CG-CG2 4.5Å; L178-T182 WeakPolarHBondContact O-CG2 3.31Å; L178-T182 PolarHBondContact O-N 2.83Å; L178-T182 PolarHBondContact O-OG1 2.79Å |
| 179 | H | 81.2 | Confident | 86.3 | Confident | 80 Ų | 80 | 51.2 Ų | 51.2 | 37% | 0.37 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 178 | -175.7 | 81.5 | 0 | 0 | 0 | 111.8 | F157 K175 S176 L177 I181 T182 Q183 | F157-H179 AromaticContact CE1-CD2 3.21Å; F157-H179 WeakPolarHBondContact CE1-CD2 3.29Å; F157-H179 AromaticContact CE1-NE2 3.69Å; F157-H179 AromaticContact CE2-CD2 3.81Å; F157-H179 AromaticContact CE2-NE2 3.92Å; F157-H179 AromaticContact CZ-CD2 3.1Å; F157-H179 WeakPolarHBondContact CZ-CD2 3.19Å; F157-H179 AromaticContact CZ-NE2 3.15Å; F157-H179 WeakPolarHBondContact CZ-NE2 3.43Å; K175-H179 PolarHBondContact O-N 3.33Å; S176-H179 PolarHBondContact O-N 2.87Å; L177-H179 VanDerWaalsContact C-N 3.32Å; L177-H179 PolarHBondContact O-N 2.61Å; H179-I181 VanDerWaalsContact C-N 3.33Å; H179-I181 PolarHBondContact O-N 3.48Å; H179-T182 PolarHBondContact O-N 3.12Å; H179-T182 PolarHBondContact O-OG1 3.22Å; H179-T182 VanDerWaalsContact O-OG1 3.06Å; H179-Q183 WeakPolarHBondContact O-CG 3.45Å; H179-Q183 PolarHBondContact O-N 3.12Å; H179-Q183 VanDerWaalsContact O-N 3.14Å |
| 180 | L | 83.4 | Confident | 86.5 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.1 | -38.3 | 178.1 | -175.6 | 152.9 | 0 | 0 | 0 | 112 | F157 L158 S176 L177 L178 S184 L192 | F157-L180 HydrophobicContact CB-CD1 3.93Å; L158-L180 HydrophobicContact CD2-CD1 4.41Å; S176-L180 PolarHBondContact O-N 3.17Å; S176-L180 VanDerWaalsContact O-N 3.09Å; L177-L180 PolarHBondContact O-N 3Å; L178-L180 PolarHBondContact O-N 3.18Å; L180-S184 VanDerWaalsContact O-CB 3.25Å; L180-S184 WeakPolarHBondContact O-CB 3.3Å; L180-S184 PolarHBondContact O-N 3.39Å; L180-S184 PolarHBondContact O-OG 2.79Å; L180-L192 HydrophobicContact CD1-CD2 4.12Å; L180-L192 HydrophobicContact CD2-CB 4.06Å; L180-L192 HydrophobicContact CD2-CD1 3.24Å; L180-L192 HydrophobicContact CD2-CD2 3.99Å; L180-L192 HydrophobicContact CD2-CG 3.91Å; L180-L192 HydrophobicContact CG-CD1 4.04Å; L180-L192 HydrophobicContact CG-CD2 4.41Å |
| 181 | I | 80 | Confident | 87.1 | Confident | 9 Ų | 9 | 39.4 Ų | 39.4 | 5% | 0.046 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.9 | -42.6 | 175.7 | -72.1 | 166.5 | 0 | 0 | 0 | 111.4 | L98 Y99 V102 L177 L178 H179 Q189 | L98-I181 HydrophobicContact CD2-CD1 3.77Å; L98-I181 HydrophobicContact CG-CD1 4.2Å; Y99-I181 HydrophobicContact CD1-CD1 4.4Å; Y99-I181 HydrophobicContact CE1-CD1 3.84Å; Y99-I181 HydrophobicContact CE1-CG1 4.01Å; Y99-I181 HydrophobicContact CE1-CG2 3.86Å; Y99-I181 HydrophobicContact CE2-CD1 4.39Å; V102-I181 HydrophobicContact CG1-CG2 4.09Å; L177-I181 WeakPolarHBondContact O-CB 3.27Å; L177-I181 VanDerWaalsContact O-CG1 3.23Å; L177-I181 WeakPolarHBondContact O-CG1 3.38Å; L177-I181 PolarHBondContact O-N 2.93Å; L178-I181 PolarHBondContact O-N 3.4Å; H179-I181 VanDerWaalsContact C-N 3.33Å; H179-I181 PolarHBondContact O-N 3.48Å; I181-Q189 PolarHBondContact O-NE2 3.06Å |
| 182 | T | 80.3 | Confident | 87.5 | Confident | 70 Ų | 70 | 33.5 Ų | 33.5 | 43% | 0.429 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -74.4 | -25.4 | -176.6 | 56.1 | 0 | 0 | 0 | 0 | 113.6 | L178 H179 | L178-T182 HydrophobicContact CD1-CG2 4.13Å; L178-T182 HydrophobicContact CG-CG2 4.5Å; L178-T182 WeakPolarHBondContact O-CG2 3.31Å; L178-T182 PolarHBondContact O-N 2.83Å; L178-T182 PolarHBondContact O-OG1 2.79Å; H179-T182 PolarHBondContact O-N 3.12Å; H179-T182 PolarHBondContact O-OG1 3.22Å; H179-T182 VanDerWaalsContact O-OG1 3.06Å |
| 183 | Q | 85 | Confident | 87.8 | Confident | 66 Ų | 66 | 29.8 Ų | 29.8 | 31% | 0.308 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 0.9 | 179.3 | -61.2 | -59.6 | -60.4 | 0 | 0 | 114.3 | G147 N148 L149 H179 | G147-Q183 WeakPolarHBondContact CA-O 3.48Å; N148-Q183 PolarHBondContact ND2-OE1 3.29Å; N148-Q183 PolarHBondContact OD1-O 3.37Å; N148-Q183 PolarHBondContact OD1-OE1 3.5Å; L149-Q183 HydrophobicContact CD1-CB 4.14Å; L149-Q183 HydrophobicContact CD2-CB 4.02Å; L149-Q183 HydrophobicContact CG-CB 4.06Å; H179-Q183 WeakPolarHBondContact O-CG 3.45Å; H179-Q183 PolarHBondContact O-N 3.12Å; H179-Q183 VanDerWaalsContact O-N 3.14Å |
| 184 | S | 89.3 | Confident | 88.4 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -115.9 | 141.3 | -176.2 | -61 | 0 | 0 | 0 | 0 | 112.1 | L180 Q189 L192 | L180-S184 VanDerWaalsContact O-CB 3.25Å; L180-S184 WeakPolarHBondContact O-CB 3.3Å; L180-S184 PolarHBondContact O-N 3.39Å; L180-S184 PolarHBondContact O-OG 2.79Å; S184-Q189 PolarHBondContact O-NE2 3.19Å; S184-L192 WeakPolarHBondContact OG-CD1 3.35Å |
| 185 | S | 91.6 | Very high | 89 | Confident | 15 Ų | 15 | 25.2 Ų | 25.2 | 11% | 0.105 | 13% | 0.128 | C | C | . | . | trans | -64.8 | 163.5 | 169.8 | 68.9 | 0 | 0 | 0 | 0 | 111.9 | L187 E188 Q189 | S185-L187 PolarHBondContact O-N 2.7Å; S185-E188 WeakPolarHBondContact CB-OE2 3.47Å; S185-E188 PolarHBondContact N-OE2 3.11Å; S185-E188 PolarHBondContact O-N 3.32Å; S185-E188 VanDerWaalsContact O-N 3.15Å; S185-E188 WeakPolarHBondContact OG-CG 3.38Å; S185-E188 PolarHBondContact OG-N 3.21Å; S185-E188 PolarHBondContact OG-OE2 2.95Å; S185-Q189 VanDerWaalsContact O-CG 3.32Å; S185-Q189 WeakPolarHBondContact O-CG 3.48Å; S185-Q189 PolarHBondContact O-N 3.28Å | ||
| 186 | A | 91.4 | Very high | 89.5 | Confident | 8 Ų | 8 | 19.4 Ų | 19.4 | 7% | 0.066 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -55.6 | -39 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y136 L139 C143 Q189 K190 | Y136-A186 HydrophobicContact CD2-CB 4Å; Y136-A186 WeakPolarHBondContact CD2-O 3.26Å; Y136-A186 HydrophobicContact CE2-CB 4.03Å; L139-A186 HydrophobicContact CB-CB 3.84Å; C143-A186 HydrophobicContact CB-CB 4.47Å; A186-Q189 PolarHBondContact O-N 2.79Å; A186-K190 PolarHBondContact O-N 2.8Å |
| 187 | L | 93.2 | Very high | 89.9 | Confident | 33 Ų | 33 | 20.7 Ų | 20.7 | 17% | 0.173 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.4 | -43 | 178.4 | 178.5 | 62.2 | 0 | 0 | 0 | 111.7 | L23 E30 Y136 S185 Q189 K190 W191 | L23-L187 HydrophobicContact CD1-CD2 4.43Å; E30-L187 HydrophobicContact CB-CD1 4.39Å; E30-L187 HydrophobicContact CG-CD1 4.18Å; Y136-L187 HydrophobicContact CE2-CB 4.27Å; S185-L187 PolarHBondContact O-N 2.7Å; L187-Q189 VanDerWaalsContact C-N 3.33Å; L187-K190 HydrophobicContact CD1-CD 4.39Å; L187-K190 WeakPolarHBondContact O-CB 3.45Å; L187-K190 PolarHBondContact O-N 3.14Å; L187-W191 VanDerWaalsContact O-CD1 3.28Å; L187-W191 PolarHBondContact O-N 3.02Å |
| 188 | E | 94.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.9 | -43 | 176.4 | -74.5 | 165.6 | 123.1 | 0 | 0 | 111 | F22 L23 C26 G147 S185 K190 W191 L192 | F22-E188 HydrophobicContact CD1-CB 3.84Å; F22-E188 HydrophobicContact CD1-CG 3.67Å; F22-E188 HydrophobicContact CE1-CB 3.73Å; F22-E188 HydrophobicContact CE1-CG 3.98Å; L23-E188 HydrophobicContact CB-CG 4.37Å; L23-E188 HydrophobicContact CD1-CG 3.97Å; L23-E188 PolarHBondContact N-OE1 3.42Å; L23-E188 VanDerWaalsContact N-OE1 3.17Å; C26-E188 HydrophobicContact CB-CG 4.23Å; G147-E188 VanDerWaalsContact CA-OE2 3.29Å; G147-E188 WeakPolarHBondContact CA-OE2 3.16Å; S185-E188 WeakPolarHBondContact CB-OE2 3.47Å; S185-E188 PolarHBondContact N-OE2 3.11Å; S185-E188 PolarHBondContact O-N 3.32Å; S185-E188 VanDerWaalsContact O-N 3.15Å; S185-E188 WeakPolarHBondContact OG-CG 3.38Å; S185-E188 PolarHBondContact OG-N 3.21Å; S185-E188 PolarHBondContact OG-OE2 2.95Å; E188-K190 VanDerWaalsContact C-N 3.34Å; E188-K190 PolarHBondContact O-N 3.22Å; E188-W191 PolarHBondContact O-N 2.86Å; E188-L192 HydrophobicContact CB-CD1 4.46Å; E188-L192 WeakPolarHBondContact O-CD1 3.31Å; E188-L192 VanDerWaalsContact O-CG 3.29Å; E188-L192 WeakPolarHBondContact O-CG 3.04Å; E188-L192 PolarHBondContact O-N 3.12Å |
| 189 | Q | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.2 | -39.1 | 176.8 | -69.4 | -175.1 | 47.8 | 0 | 0 | 113 | Y99 L139 I181 S184 S185 A186 L187 W191 L192 I193 | Y99-Q189 PolarHBondContact OH-OE1 3.07Å; L139-Q189 HydrophobicContact CD1-CB 3.95Å; I181-Q189 PolarHBondContact O-NE2 3.06Å; S184-Q189 PolarHBondContact O-NE2 3.19Å; S185-Q189 VanDerWaalsContact O-CG 3.32Å; S185-Q189 WeakPolarHBondContact O-CG 3.48Å; S185-Q189 PolarHBondContact O-N 3.28Å; A186-Q189 PolarHBondContact O-N 2.79Å; L187-Q189 VanDerWaalsContact C-N 3.33Å; Q189-W191 VanDerWaalsContact C-N 3.26Å; Q189-W191 PolarHBondContact O-N 3.46Å; Q189-L192 PolarHBondContact O-N 2.77Å; Q189-I193 WeakPolarHBondContact O-CB 3.41Å; Q189-I193 VanDerWaalsContact O-CG1 3.22Å; Q189-I193 WeakPolarHBondContact O-CG1 3.17Å; Q189-I193 PolarHBondContact O-N 2.8Å |
| 190 | K | 94.6 | Very high | 91.6 | Very high | 12 Ų | 12 | 20.5 Ų | 20.5 | 5% | 0.052 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -52.3 | -46.9 | 171.7 | -178.1 | -171.4 | 168.6 | -169.2 | 0 | 111.1 | E30 A132 Y136 A186 L187 E188 R194 | E30-K190 VanDerWaalsContact CD-NZ 3.29Å; E30-K190 IonicContact OE1-NZ 3.08Å; E30-K190 PolarHBondContact OE1-NZ 2.64Å; E30-K190 IonicContact OE2-NZ 2.63Å; E30-K190 PolarHBondContact OE2-NZ 3.05Å; A132-K190 HydrophobicContact CB-CG 4.32Å; Y136-K190 HydrophobicContact CD2-CB 4.27Å; Y136-K190 HydrophobicContact CD2-CD 4.42Å; Y136-K190 HydrophobicContact CG-CB 4.42Å; Y136-K190 HydrophobicContact CG-CD 4.14Å; A186-K190 PolarHBondContact O-N 2.8Å; L187-K190 HydrophobicContact CD1-CD 4.39Å; L187-K190 WeakPolarHBondContact O-CB 3.45Å; L187-K190 PolarHBondContact O-N 3.14Å; E188-K190 VanDerWaalsContact C-N 3.34Å; E188-K190 PolarHBondContact O-N 3.22Å; K190-R194 PolarHBondContact O-N 3.21Å |
| 191 | W | 96.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -75.4 | -37.4 | -178.7 | -74 | 110.5 | 0 | 0 | 0 | 112.8 | C26 L29 E30 Q33 L187 E188 Q189 I193 R194 M195 M200 L202 | C26-W191 HydrophobicContact CB-CG 4.32Å; C26-W191 PolarHBondContact O-NE1 2.9Å; L29-W191 HydrophobicContact CB-CD2 3.81Å; L29-W191 HydrophobicContact CB-CE3 3.97Å; L29-W191 HydrophobicContact CB-CH2 3.77Å; L29-W191 HydrophobicContact CB-CZ2 3.62Å; L29-W191 HydrophobicContact CB-CZ3 3.94Å; L29-W191 HydrophobicContact CD1-CD2 3.98Å; L29-W191 HydrophobicContact CD1-CE3 3.86Å; L29-W191 HydrophobicContact CD1-CG 4.32Å; L29-W191 HydrophobicContact CD1-CZ3 4.38Å; L29-W191 WeakPolarHBondContact O-CZ2 3.22Å; E30-W191 HydrophobicContact CB-CZ2 4.44Å; E30-W191 WeakPolarHBondContact OE2-CZ2 3.2Å; E30-W191 PolarHBondContact OE2-NE1 2.77Å; Q33-W191 HydrophobicContact CB-CH2 4.08Å; Q33-W191 HydrophobicContact CB-CZ2 4.26Å; L187-W191 VanDerWaalsContact O-CD1 3.28Å; L187-W191 PolarHBondContact O-N 3.02Å; E188-W191 PolarHBondContact O-N 2.86Å; Q189-W191 VanDerWaalsContact C-N 3.26Å; Q189-W191 PolarHBondContact O-N 3.46Å; W191-I193 VanDerWaalsContact C-N 3.35Å; W191-I193 PolarHBondContact O-N 3.26Å; W191-R194 HydrophobicContact CE3-CB 4.46Å; W191-R194 WeakPolarHBondContact O-CB 3.21Å; W191-R194 PolarHBondContact O-N 3.34Å; W191-R194 VanDerWaalsContact O-N 3.11Å; W191-M195 HydrophobicContact CB-CE 4.22Å; W191-M195 VanDerWaalsContact O-CG 3.26Å; W191-M195 WeakPolarHBondContact O-CG 3.37Å; W191-M195 PolarHBondContact O-N 3.37Å; W191-M200 HydrophobicContact CE3-CE 3.58Å; W191-M200 HydrophobicContact CE3-SD 4.47Å; W191-M200 HydrophobicContact CZ3-CE 3.82Å; W191-M200 WeakPolarHBondContact CZ3-O 3.45Å; W191-L202 HydrophobicContact CH2-CD2 3.53Å; W191-L202 HydrophobicContact CZ3-CD2 3.74Å |
| 192 | L | 95.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.8 | -44.3 | 173.7 | -72 | 159.4 | 0 | 0 | 0 | 111.8 | F22 V154 L180 S184 E188 Q189 R194 M195 I196 | F22-L192 HydrophobicContact CE1-CD1 3.78Å; F22-L192 HydrophobicContact CE1-CD2 3.74Å; F22-L192 HydrophobicContact CE1-CG 3.53Å; F22-L192 HydrophobicContact CE2-CD2 4.45Å; F22-L192 HydrophobicContact CZ-CD1 4.45Å; F22-L192 HydrophobicContact CZ-CD2 3.6Å; F22-L192 HydrophobicContact CZ-CG 3.71Å; V154-L192 HydrophobicContact CG1-CD2 3.53Å; V154-L192 HydrophobicContact CG2-CD2 4.46Å; L180-L192 HydrophobicContact CD1-CD2 4.12Å; L180-L192 HydrophobicContact CD2-CB 4.06Å; L180-L192 HydrophobicContact CD2-CD1 3.24Å; L180-L192 HydrophobicContact CD2-CD2 3.99Å; L180-L192 HydrophobicContact CD2-CG 3.91Å; L180-L192 HydrophobicContact CG-CD1 4.04Å; L180-L192 HydrophobicContact CG-CD2 4.41Å; S184-L192 WeakPolarHBondContact OG-CD1 3.35Å; E188-L192 HydrophobicContact CB-CD1 4.46Å; E188-L192 WeakPolarHBondContact O-CD1 3.31Å; E188-L192 VanDerWaalsContact O-CG 3.29Å; E188-L192 WeakPolarHBondContact O-CG 3.04Å; E188-L192 PolarHBondContact O-N 3.12Å; Q189-L192 PolarHBondContact O-N 2.77Å; L192-R194 VanDerWaalsContact C-N 3.28Å; L192-R194 PolarHBondContact O-N 2.97Å; L192-M195 HydrophobicContact CD2-SD 4.5Å; L192-M195 PolarHBondContact O-N 3.19Å; L192-I196 WeakPolarHBondContact O-CB 3.42Å; L192-I196 VanDerWaalsContact O-CG1 3.27Å; L192-I196 WeakPolarHBondContact O-CG1 3.27Å; L192-I196 PolarHBondContact O-N 3.29Å |
| 193 | I | 95.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.2 | -46.1 | 173.7 | -69.8 | 165.5 | 0 | 0 | 0 | 110.2 | L95 Y99 F131 A132 A135 Q189 W191 M195 I196 L197 | L95-I193 HydrophobicContact CD1-CG1 4.49Å; L95-I193 HydrophobicContact CD1-CG2 4.09Å; Y99-I193 HydrophobicContact CE2-CD1 3.65Å; Y99-I193 HydrophobicContact CE2-CG1 4.1Å; F131-I193 HydrophobicContact CD1-CG2 3.61Å; F131-I193 HydrophobicContact CE1-CD1 4.29Å; F131-I193 HydrophobicContact CE1-CG2 3.92Å; A132-I193 HydrophobicContact CB-CB 4.16Å; A132-I193 HydrophobicContact CB-CG2 3.76Å; A135-I193 HydrophobicContact CB-CD1 3.58Å; Q189-I193 WeakPolarHBondContact O-CB 3.41Å; Q189-I193 VanDerWaalsContact O-CG1 3.22Å; Q189-I193 WeakPolarHBondContact O-CG1 3.17Å; Q189-I193 PolarHBondContact O-N 2.8Å; W191-I193 VanDerWaalsContact C-N 3.35Å; W191-I193 PolarHBondContact O-N 3.26Å; I193-M195 PolarHBondContact O-N 3.35Å; I193-I196 PolarHBondContact O-N 2.87Å; I193-L197 HydrophobicContact CG2-CD1 3.68Å; I193-L197 HydrophobicContact CG2-CG 4.3Å; I193-L197 WeakPolarHBondContact O-CB 3.3Å; I193-L197 VanDerWaalsContact O-CG 3.23Å; I193-L197 WeakPolarHBondContact O-CG 3.42Å; I193-L197 PolarHBondContact O-N 3.06Å |
| 194 | R | 95.7 | Very high | 93.2 | Very high | 7 Ų | 7 | 21.2 Ų | 21.2 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.6 | -37.4 | 178.3 | -72.4 | -176.8 | 174.7 | 162.5 | -2.6 | 113 | Q33 D130 A132 K190 W191 L192 K198 D199 M200 | Q33-R194 VanDerWaalsContact NE2-CZ 3.3Å; Q33-R194 VanDerWaalsContact NE2-NH2 3.12Å; D130-R194 IonicContact OD2-CZ 2.8Å; D130-R194 IonicContact OD2-NE 2.79Å; D130-R194 IonicContact OD2-NH2 3.88Å; D130-R194 PolarHBondContact OD2-NH2 3.36Å; A132-R194 HydrophobicContact CB-CG 3.58Å; K190-R194 PolarHBondContact O-N 3.21Å; W191-R194 HydrophobicContact CE3-CB 4.46Å; W191-R194 WeakPolarHBondContact O-CB 3.21Å; W191-R194 PolarHBondContact O-N 3.34Å; W191-R194 VanDerWaalsContact O-N 3.11Å; L192-R194 VanDerWaalsContact C-N 3.28Å; L192-R194 PolarHBondContact O-N 2.97Å; R194-K198 CarbonylContact O-C 3.29Å; R194-K198 WeakPolarHBondContact O-CA 3.48Å; R194-K198 PolarHBondContact O-N 2.76Å; R194-D199 WeakPolarHBondContact CB-O 3.33Å; R194-D199 WeakPolarHBondContact CG-O 3.41Å; R194-D199 PolarHBondContact O-N 3.35Å; R194-M200 HydrophobicContact CB-SD 3.84Å |
| 195 | M | 95.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.4 | -42.8 | 175.5 | -68.1 | 166.7 | -173.8 | 0 | 0 | 111.6 | F22 L25 L29 L76 W191 L192 I193 K198 M200 | F22-M195 HydrophobicContact CE2-CE 3.74Å; F22-M195 HydrophobicContact CE2-SD 3.86Å; F22-M195 HydrophobicContact CZ-CE 3.85Å; F22-M195 HydrophobicContact CZ-SD 3.79Å; L25-M195 HydrophobicContact CD2-CE 4.28Å; L29-M195 HydrophobicContact CD1-CE 3.67Å; L76-M195 HydrophobicContact CB-CE 3.88Å; L76-M195 HydrophobicContact CB-CG 4.46Å; L76-M195 HydrophobicContact CB-SD 3.9Å; L76-M195 HydrophobicContact CD1-SD 4.29Å; L76-M195 HydrophobicContact CD2-SD 3.9Å; L76-M195 HydrophobicContact CG-SD 4.24Å; W191-M195 HydrophobicContact CB-CE 4.22Å; W191-M195 VanDerWaalsContact O-CG 3.26Å; W191-M195 WeakPolarHBondContact O-CG 3.37Å; W191-M195 PolarHBondContact O-N 3.37Å; L192-M195 HydrophobicContact CD2-SD 4.5Å; L192-M195 PolarHBondContact O-N 3.19Å; I193-M195 PolarHBondContact O-N 3.35Å; M195-K198 PolarHBondContact O-N 2.87Å; M195-M200 HydrophobicContact CB-SD 4.47Å; M195-M200 HydrophobicContact CE-CE 3.91Å; M195-M200 HydrophobicContact CG-CE 4Å; M195-M200 HydrophobicContact CG-SD 3.7Å |
| 196 | I | 94.2 | Very high | 93.3 | Very high | 9 Ų | 9 | 23.7 Ų | 23.7 | 5% | 0.046 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.8 | -46.7 | 176.9 | -69.5 | 165.6 | 0 | 0 | 0 | 110.9 | Y88 I90 L158 L177 L192 I193 K198 | Y88-I196 HydrophobicContact CD2-CG2 4.22Å; Y88-I196 WeakPolarHBondContact CD2-O 3.17Å; Y88-I196 HydrophobicContact CG-CG2 4.47Å; I90-I196 HydrophobicContact CB-CG2 3.8Å; I90-I196 HydrophobicContact CD1-CG2 3.91Å; I90-I196 HydrophobicContact CG1-CG2 4.48Å; I90-I196 HydrophobicContact CG2-CG2 3.79Å; L158-I196 HydrophobicContact CD2-CD1 4.17Å; L158-I196 HydrophobicContact CD2-CG1 3.68Å; L177-I196 HydrophobicContact CD2-CD1 3.92Å; L192-I196 WeakPolarHBondContact O-CB 3.42Å; L192-I196 VanDerWaalsContact O-CG1 3.27Å; L192-I196 WeakPolarHBondContact O-CG1 3.27Å; L192-I196 PolarHBondContact O-N 3.29Å; I193-I196 PolarHBondContact O-N 2.87Å; I196-K198 PolarHBondContact O-N 3.46Å |
| 197 | L | 93.6 | Very high | 93.3 | Very high | 44 Ų | 44 | 26.9 Ų | 26.9 | 23% | 0.23 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -73 | -9.7 | 177.1 | -64.6 | 177.1 | 0 | 0 | 0 | 112.9 | E92 L95 F131 I193 D199 | E92-L197 HydrophobicContact CG-CD1 3.78Å; E92-L197 HydrophobicContact CG-CD2 4.06Å; L95-L197 HydrophobicContact CD1-CD1 4.45Å; L95-L197 HydrophobicContact CD1-CD2 4.12Å; L95-L197 HydrophobicContact CD1-CG 4.21Å; F131-L197 HydrophobicContact CD1-CD1 4.17Å; I193-L197 HydrophobicContact CG2-CD1 3.68Å; I193-L197 HydrophobicContact CG2-CG 4.3Å; I193-L197 WeakPolarHBondContact O-CB 3.3Å; I193-L197 VanDerWaalsContact O-CG 3.23Å; I193-L197 WeakPolarHBondContact O-CG 3.42Å; I193-L197 PolarHBondContact O-N 3.06Å; L197-D199 VanDerWaalsContact C-N 3.29Å; L197-D199 PolarHBondContact O-N 2.79Å |
| 198 | K | 94.3 | Very high | 93.4 | Very high | 57 Ų | 57 | 25.6 Ų | 25.6 | 25% | 0.248 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 41.1 | -175.1 | -51 | -169.3 | 170 | -161.4 | 0 | 112.2 | P79 P80 R194 M195 I196 | P79-K198 HydrophobicContact CB-CB 4.36Å; P79-K198 HydrophobicContact CB-CG 4.18Å; P79-K198 WeakPolarHBondContact O-CD 3.37Å; P80-K198 HydrophobicContact CG-CB 4.09Å; P80-K198 VanDerWaalsContact CG-O 3.27Å; P80-K198 WeakPolarHBondContact CG-O 3.32Å; R194-K198 CarbonylContact O-C 3.29Å; R194-K198 WeakPolarHBondContact O-CA 3.48Å; R194-K198 PolarHBondContact O-N 2.76Å; M195-K198 PolarHBondContact O-N 2.87Å; I196-K198 PolarHBondContact O-N 3.46Å |
| 199 | D | 91.4 | Very high | 93.5 | Very high | 77 Ų | 77 | 25.8 Ų | 25.8 | 41% | 0.412 | 15% | 0.146 | S | C | . | . | trans | -136.8 | 88.5 | 176.7 | -177.2 | 13.2 | 0 | 0 | 0 | 110.9 | R194 L197 K201 | R194-D199 WeakPolarHBondContact CB-O 3.33Å; R194-D199 WeakPolarHBondContact CG-O 3.41Å; R194-D199 PolarHBondContact O-N 3.35Å; L197-D199 VanDerWaalsContact C-N 3.29Å; L197-D199 PolarHBondContact O-N 2.79Å; D199-K201 WeakPolarHBondContact OD1-CG 3.41Å; D199-K201 IonicContact OD1-NZ 2.69Å; D199-K201 IonicContact OD2-NZ 3.91Å; D199-K201 PolarHBondContact OD2-NZ 3.01Å | ||
| 200 | M | 93.9 | Very high | 93.6 | Very high | 14 Ų | 14 | 25.9 Ų | 25.9 | 7% | 0.069 | 15% | 0.147 | C | C | . | . | trans | -77.9 | -20.6 | -171.5 | -64 | -60.2 | -74.2 | 0 | 0 | 114.6 | L29 L76 P79 W191 R194 M195 L202 | L29-M200 HydrophobicContact CD1-CE 3.67Å; L29-M200 HydrophobicContact CD2-CE 4.33Å; L76-M200 WeakPolarHBondContact O-CE 3.46Å; P79-M200 HydrophobicContact CG-CG 3.71Å; P79-M200 HydrophobicContact CG-SD 3.92Å; W191-M200 HydrophobicContact CE3-CE 3.58Å; W191-M200 HydrophobicContact CE3-SD 4.47Å; W191-M200 HydrophobicContact CZ3-CE 3.82Å; W191-M200 WeakPolarHBondContact CZ3-O 3.45Å; R194-M200 HydrophobicContact CB-SD 3.84Å; M195-M200 HydrophobicContact CB-SD 4.47Å; M195-M200 HydrophobicContact CE-CE 3.91Å; M195-M200 HydrophobicContact CG-CE 4Å; M195-M200 HydrophobicContact CG-SD 3.7Å; M200-L202 HydrophobicContact CB-CD1 4.05Å; M200-L202 HydrophobicContact CB-CG 3.92Å; M200-L202 PolarHBondContact O-N 2.93Å; M200-L202 VanDerWaalsContact O-N 3.1Å | ||
| 201 | K | 90.7 | Very high | 93.6 | Very high | 61 Ų | 61 | 30.5 Ų | 30.5 | 27% | 0.265 | 17% | 0.169 | S | C | . | . | trans | 48.5 | 36.4 | -180 | -53.7 | -172.9 | -171.1 | -59.2 | 0 | 115.1 | Q33 D130 D199 | Q33-K201 PolarHBondContact NE2-O 3.05Å; D130-K201 VanDerWaalsContact OD1-CE 3.26Å; D130-K201 WeakPolarHBondContact OD1-CE 3.29Å; D199-K201 WeakPolarHBondContact OD1-CG 3.41Å; D199-K201 IonicContact OD1-NZ 2.69Å; D199-K201 IonicContact OD2-NZ 3.91Å; D199-K201 PolarHBondContact OD2-NZ 3.01Å | ||
| 202 | L | 91.8 | Very high | 93.6 | Very high | 11 Ų | 11 | 32.4 Ų | 32.4 | 6% | 0.058 | 18% | 0.18 | C | C | . | . | trans | -76.1 | -21.4 | -177.9 | -65.4 | 170.3 | 0 | 0 | 0 | 113.8 | L29 I32 K41 I77 W191 M200 V204 | L29-L202 HydrophobicContact CB-CD2 4.2Å; L29-L202 HydrophobicContact CD2-CD1 3.9Å; L29-L202 HydrophobicContact CD2-CD2 3.85Å; I32-L202 HydrophobicContact CB-CD2 4.37Å; I32-L202 HydrophobicContact CG2-CB 4.14Å; I32-L202 HydrophobicContact CG2-CD2 4.06Å; K41-L202 PolarHBondContact NZ-O 3.08Å; I77-L202 HydrophobicContact CG2-CD1 4.33Å; W191-L202 HydrophobicContact CH2-CD2 3.53Å; W191-L202 HydrophobicContact CZ3-CD2 3.74Å; M200-L202 HydrophobicContact CB-CD1 4.05Å; M200-L202 HydrophobicContact CB-CG 3.92Å; M200-L202 PolarHBondContact O-N 2.93Å; M200-L202 VanDerWaalsContact O-N 3.1Å; L202-V204 VanDerWaalsContact C-N 3.26Å; L202-V204 HydrophobicContact CB-CG2 3.8Å; L202-V204 HydrophobicContact CD1-CG2 4.4Å | ||
| 203 | G | 89.1 | Confident | 93.8 | Very high | 60 Ų | 60 | 32.5 Ų | 32.5 | 62% | 0.619 | 18% | 0.181 | S | C | * | . | S | Bend | trans | 76.6 | 12 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 204 | V | 90.1 | Very high | 93.8 | Very high | 32 Ų | 32 | 32.5 Ų | 32.5 | 19% | 0.194 | 18% | 0.181 | C | C | . | . | trans | -117.8 | 147.4 | 168.1 | -68.5 | 0 | 0 | 0 | 0 | 109.8 | K41 L202 T208 V209 | K41-V204 HydrophobicContact CB-CG1 3.72Å; K41-V204 HydrophobicContact CD-CG1 3.76Å; K41-V204 HydrophobicContact CG-CG1 4.38Å; L202-V204 VanDerWaalsContact C-N 3.26Å; L202-V204 HydrophobicContact CB-CG2 3.8Å; L202-V204 HydrophobicContact CD1-CG2 4.4Å; V204-T208 HydrophobicContact CB-CG2 4.33Å; V204-T208 HydrophobicContact CG1-CG2 4.3Å; V204-V209 HydrophobicContact CG2-CG2 4.04Å | ||
| 205 | S | 91.4 | Very high | 93.8 | Very high | 48 Ų | 48 | 36.5 Ų | 36.5 | 34% | 0.336 | 21% | 0.207 | S | C | . | . | trans | -85.7 | 164.6 | 178.3 | 79.9 | 0 | 0 | 0 | 0 | 111.6 | E207 T208 V209 | S205-E207 WeakPolarHBondContact CB-OE2 3.37Å; S205-E207 PolarHBondContact O-N 3.11Å; S205-E207 PolarHBondContact OG-N 3.44Å; S205-E207 PolarHBondContact OG-OE2 3.15Å; S205-T208 WeakPolarHBondContact O-CB 3.39Å; S205-T208 PolarHBondContact O-N 3.46Å; S205-T208 VanDerWaalsContact O-N 3.13Å; S205-T208 PolarHBondContact OG-N 3.33Å; S205-T208 PolarHBondContact OG-OG1 3.05Å; S205-T208 VanDerWaalsContact OG-OG1 3.07Å; S205-V209 PolarHBondContact O-N 3.28Å; S205-V209 VanDerWaalsContact O-N 3.11Å | ||
| 206 | K | 91.9 | Very high | 93.7 | Very high | 19 Ų | 19 | 37.7 Ų | 37.7 | 8% | 0.083 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.5 | -37.5 | 173.9 | 59.8 | 134.2 | 177.3 | 161.1 | 0 | 112 | V78 F81 T208 V209 L210 Y221 D447 | V78-K206 HydrophobicContact CG1-CB 4.3Å; F81-K206 HydrophobicContact CD1-CD 3.63Å; F81-K206 HydrophobicContact CD1-CG 4.22Å; F81-K206 HydrophobicContact CD2-CB 3.76Å; F81-K206 HydrophobicContact CD2-CD 4.43Å; F81-K206 HydrophobicContact CD2-CG 4.23Å; F81-K206 HydrophobicContact CE1-CB 4.34Å; F81-K206 HydrophobicContact CE1-CD 3.39Å; F81-K206 HydrophobicContact CE1-CG 3.73Å; F81-K206 HydrophobicContact CE2-CB 3.55Å; F81-K206 HydrophobicContact CE2-CD 4.24Å; F81-K206 HydrophobicContact CE2-CG 3.73Å; F81-K206 HydrophobicContact CG-CB 4.23Å; F81-K206 HydrophobicContact CG-CD 4.14Å; F81-K206 HydrophobicContact CG-CG 4.44Å; F81-K206 HydrophobicContact CZ-CB 3.86Å; F81-K206 HydrophobicContact CZ-CD 3.72Å; F81-K206 HydrophobicContact CZ-CG 3.45Å; F81-K206 VanDerWaalsContact CZ-CG 3.45Å; K206-T208 VanDerWaalsContact C-N 3.27Å; K206-T208 PolarHBondContact O-N 3.24Å; K206-V209 PolarHBondContact O-N 3.41Å; K206-L210 WeakPolarHBondContact O-CG 3.37Å; K206-L210 PolarHBondContact O-N 3.36Å; K206-Y221 HydrophobicContact CD-CE1 4.48Å; K206-D447 IonicContact NZ-OD2 3.78Å; K206-D447 PolarHBondContact NZ-OD2 3.26Å |
| 207 | E | 92.4 | Very high | 93.8 | Very high | 75 Ų | 75 | 37.2 Ų | 37.2 | 35% | 0.35 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.3 | -39.1 | 178.9 | -57.3 | 77.9 | -168.2 | 0 | 0 | 110.3 | S205 L210 Q211 | S205-E207 WeakPolarHBondContact CB-OE2 3.37Å; S205-E207 PolarHBondContact O-N 3.11Å; S205-E207 PolarHBondContact OG-N 3.44Å; S205-E207 PolarHBondContact OG-OE2 3.15Å; E207-L210 PolarHBondContact O-N 3.08Å; E207-Q211 VanDerWaalsContact O-CB 3.26Å; E207-Q211 WeakPolarHBondContact O-CB 3.39Å; E207-Q211 WeakPolarHBondContact O-CG 3.47Å; E207-Q211 PolarHBondContact O-N 2.91Å |
| 208 | T | 94.3 | Very high | 93.8 | Very high | 6 Ų | 6 | 36 Ų | 36 | 4% | 0.037 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.7 | -45.2 | 175.6 | -48.8 | 0 | 0 | 0 | 0 | 110.9 | R38 V204 S205 K206 L210 Q211 V212 | R38-T208 PolarHBondContact NE-OG1 2.97Å; R38-T208 PolarHBondContact NH2-OG1 2.85Å; V204-T208 HydrophobicContact CB-CG2 4.33Å; V204-T208 HydrophobicContact CG1-CG2 4.3Å; S205-T208 WeakPolarHBondContact O-CB 3.39Å; S205-T208 PolarHBondContact O-N 3.46Å; S205-T208 VanDerWaalsContact O-N 3.13Å; S205-T208 PolarHBondContact OG-N 3.33Å; S205-T208 PolarHBondContact OG-OG1 3.05Å; S205-T208 VanDerWaalsContact OG-OG1 3.07Å; K206-T208 VanDerWaalsContact C-N 3.27Å; K206-T208 PolarHBondContact O-N 3.24Å; T208-L210 PolarHBondContact O-N 3.49Å; T208-Q211 PolarHBondContact O-N 2.88Å; T208-V212 VanDerWaalsContact O-CG2 3.26Å; T208-V212 WeakPolarHBondContact O-CG2 3.17Å; T208-V212 PolarHBondContact O-N 2.75Å |
| 209 | V | 96.8 | Very high | 93.8 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.9 | -45.9 | 178.1 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | L45 M74 I77 V78 V204 S205 K206 V212 F213 | L45-V209 HydrophobicContact CD2-CB 4.24Å; L45-V209 HydrophobicContact CD2-CG1 4.12Å; L45-V209 HydrophobicContact CD2-CG2 4Å; M74-V209 HydrophobicContact CE-CG1 4.29Å; M74-V209 HydrophobicContact SD-CG1 3.68Å; I77-V209 HydrophobicContact CG2-CG1 3.97Å; I77-V209 HydrophobicContact CG2-CG2 4.19Å; V78-V209 HydrophobicContact CG1-CB 4.03Å; V78-V209 HydrophobicContact CG1-CG1 3.95Å; V78-V209 HydrophobicContact CG1-CG2 4.04Å; V204-V209 HydrophobicContact CG2-CG2 4.04Å; S205-V209 PolarHBondContact O-N 3.28Å; S205-V209 VanDerWaalsContact O-N 3.11Å; K206-V209 PolarHBondContact O-N 3.41Å; V209-V212 PolarHBondContact O-N 3.25Å; V209-F213 PolarHBondContact O-N 2.62Å; V209-F213 VanDerWaalsContact O-N 3.09Å |
| 210 | L | 96.5 | Very high | 93.9 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65 | -43.7 | 178.1 | -67 | 175.1 | 0 | 0 | 0 | 111.5 | M74 K206 E207 T208 V212 F213 H214 A217 A218 Y221 L227 V230 | M74-L210 HydrophobicContact CE-CD2 4.32Å; K206-L210 WeakPolarHBondContact O-CG 3.37Å; K206-L210 PolarHBondContact O-N 3.36Å; E207-L210 PolarHBondContact O-N 3.08Å; T208-L210 PolarHBondContact O-N 3.49Å; L210-V212 VanDerWaalsContact C-N 3.35Å; L210-V212 PolarHBondContact O-N 2.83Å; L210-F213 WeakPolarHBondContact O-CB 3.48Å; L210-F213 PolarHBondContact O-N 2.65Å; L210-F213 VanDerWaalsContact O-N 3.08Å; L210-H214 PolarHBondContact O-N 2.91Å; L210-A217 HydrophobicContact CB-CB 3.98Å; L210-A217 HydrophobicContact CD2-CB 4.24Å; L210-A217 WeakPolarHBondContact O-CB 3.46Å; L210-A218 HydrophobicContact CB-CB 4.36Å; L210-Y221 HydrophobicContact CD1-CD1 4.22Å; L210-Y221 HydrophobicContact CD1-CG 4.07Å; L210-L227 HydrophobicContact CD2-CD2 4.21Å; L210-V230 HydrophobicContact CD2-CG1 4.36Å |
| 211 | Q | 95.2 | Very high | 94 | Very high | 109 Ų | 109 | 34.6 Ų | 34.6 | 51% | 0.509 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62 | -38.9 | 177 | -77.1 | 169.4 | -12.7 | 0 | 0 | 113 | E207 T208 F213 | E207-Q211 VanDerWaalsContact O-CB 3.26Å; E207-Q211 WeakPolarHBondContact O-CB 3.39Å; E207-Q211 WeakPolarHBondContact O-CG 3.47Å; E207-Q211 PolarHBondContact O-N 2.91Å; T208-Q211 PolarHBondContact O-N 2.88Å; Q211-F213 VanDerWaalsContact C-N 3.28Å |
| 212 | V | 96.8 | Very high | 94.2 | Very high | 40 Ų | 40 | 32.7 Ų | 32.7 | 24% | 0.242 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67 | -32.7 | 174.5 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | L45 I49 T208 V209 L210 | L45-V212 HydrophobicContact CB-CG1 4.28Å; L45-V212 HydrophobicContact CD2-CB 4.21Å; L45-V212 HydrophobicContact CD2-CG1 4.11Å; L45-V212 HydrophobicContact CG-CG1 4Å; I49-V212 HydrophobicContact CD1-CG1 4.1Å; T208-V212 VanDerWaalsContact O-CG2 3.26Å; T208-V212 WeakPolarHBondContact O-CG2 3.17Å; T208-V212 PolarHBondContact O-N 2.75Å; V209-V212 PolarHBondContact O-N 3.25Å; L210-V212 VanDerWaalsContact C-N 3.35Å; L210-V212 PolarHBondContact O-N 2.83Å |
| 213 | F | 97.7 | Very high | 94.4 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 1% | 0.013 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.6 | -51.1 | 176.8 | 179.4 | -102.4 | 0 | 0 | 0 | 112.3 | I49 R53 F70 M74 V209 L210 Q211 A217 V230 C231 L234 | I49-F213 HydrophobicContact CD1-CB 4.34Å; I49-F213 HydrophobicContact CD1-CD2 4.35Å; I49-F213 HydrophobicContact CG2-CD2 4.1Å; R53-F213 PolarHBondContact NH1-O 2.8Å; R53-F213 PolarHBondContact NH2-O 2.69Å; F70-F213 HydrophobicContact CB-CE2 3.68Å; F70-F213 HydrophobicContact CB-CZ 4.34Å; F70-F213 AromaticContact CD1-CD2 3.9Å; F70-F213 HydrophobicContact CD1-CD2 3.9Å; F70-F213 AromaticContact CD1-CE2 3.9Å; F70-F213 HydrophobicContact CD1-CE2 3.9Å; F70-F213 HydrophobicContact CG-CD2 4.43Å; F70-F213 HydrophobicContact CG-CE2 4.04Å; M74-F213 HydrophobicContact CE-CB 3.78Å; M74-F213 HydrophobicContact CE-CD1 4.2Å; M74-F213 HydrophobicContact CE-CD2 3.93Å; M74-F213 HydrophobicContact CE-CG 3.69Å; V209-F213 PolarHBondContact O-N 2.62Å; V209-F213 VanDerWaalsContact O-N 3.09Å; L210-F213 WeakPolarHBondContact O-CB 3.48Å; L210-F213 PolarHBondContact O-N 2.65Å; L210-F213 VanDerWaalsContact O-N 3.08Å; Q211-F213 VanDerWaalsContact C-N 3.28Å; F213-A217 HydrophobicContact CD1-CB 4.14Å; F213-V230 HydrophobicContact CD1-CG1 4.44Å; F213-V230 HydrophobicContact CE1-CG1 4.37Å; F213-C231 HydrophobicContact CZ-CB 4.3Å; F213-L234 HydrophobicContact CE1-CB 4.14Å; F213-L234 WeakPolarHBondContact CE1-O 3.38Å |
| 214 | H | 97.1 | Very high | 94.5 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.009 | 17% | 0.167 | C | C | . | . | trans | -160.5 | 142.4 | 178.4 | -166.9 | -78.4 | 0 | 0 | 0 | 111 | L210 D216 A217 L234 D236 V239 | L210-H214 PolarHBondContact O-N 2.91Å; H214-D216 VanDerWaalsContact C-N 3.31Å; H214-D216 IonicContact CE1-OD2 3.86Å; H214-D216 PolarHBondContact CE1-OD2 3.08Å; H214-D216 PolarHBondContact ND1-N 3.34Å; H214-D216 PolarHBondContact O-N 3.13Å; H214-A217 HydrophobicContact CB-CB 3.94Å; H214-A217 WeakPolarHBondContact O-CB 3.43Å; H214-A217 PolarHBondContact O-N 3.14Å; H214-A217 VanDerWaalsContact O-N 3.12Å; H214-L234 HydrophobicContact CB-CB 3.98Å; H214-L234 HydrophobicContact CB-CD1 4.15Å; H214-D236 PolarHBondContact CD2-O 2.94Å; H214-D236 PolarHBondContact NE2-O 3.42Å; H214-V239 PolarHBondContact CE1-O 2.88Å; H214-V239 PolarHBondContact NE2-O 3.12Å | ||
| 215 | P | 93.8 | Very high | 94.7 | Very high | 91 Ų | 91 | 29.1 Ų | 29.1 | 59% | 0.591 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -46.6 | 175.6 | -28.7 | 35.1 | 0 | 0 | 0 | 114 | A217 | P215-A217 PolarHBondContact O-N 3.13Š|
| 216 | D | 94.9 | Very high | 94.8 | Very high | 26 Ų | 26 | 30 Ų | 30 | 14% | 0.139 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -7.2 | -177.7 | -53.1 | -15 | 0 | 0 | 0 | 114.6 | H214 A218 E219 L220 L234 S240 L241 | H214-D216 VanDerWaalsContact C-N 3.31Å; H214-D216 IonicContact CE1-OD2 3.86Å; H214-D216 PolarHBondContact CE1-OD2 3.08Å; H214-D216 PolarHBondContact ND1-N 3.34Å; H214-D216 PolarHBondContact O-N 3.13Å; D216-A218 VanDerWaalsContact C-N 3.31Å; D216-A218 PolarHBondContact O-N 2.6Å; D216-E219 PolarHBondContact O-N 3.05Å; D216-E219 VanDerWaalsContact O-N 3.15Å; D216-L220 WeakPolarHBondContact O-CB 2.95Å; D216-L220 PolarHBondContact O-N 3.1Å; D216-L234 HydrophobicContact CB-CD1 4.07Å; D216-L234 HydrophobicContact CB-CD2 4.3Å; D216-S240 WeakPolarHBondContact OD2-CA 3.45Å; D216-S240 VanDerWaalsContact OD2-CB 3.24Å; D216-S240 WeakPolarHBondContact OD2-CB 3.26Å; D216-S240 PolarHBondContact OD2-OG 3.11Å; D216-S240 VanDerWaalsContact OD2-OG 3.08Å; D216-L241 PolarHBondContact OD2-N 3.46Å |
| 217 | A | 95.6 | Very high | 95 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.4 | -34.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L210 F213 H214 P215 Y221 V230 L234 | L210-A217 HydrophobicContact CB-CB 3.98Å; L210-A217 HydrophobicContact CD2-CB 4.24Å; L210-A217 WeakPolarHBondContact O-CB 3.46Å; F213-A217 HydrophobicContact CD1-CB 4.14Å; H214-A217 HydrophobicContact CB-CB 3.94Å; H214-A217 WeakPolarHBondContact O-CB 3.43Å; H214-A217 PolarHBondContact O-N 3.14Å; H214-A217 VanDerWaalsContact O-N 3.12Å; P215-A217 PolarHBondContact O-N 3.13Å; A217-Y221 WeakPolarHBondContact O-CB 3.27Å; A217-Y221 PolarHBondContact O-N 3.18Å; A217-V230 HydrophobicContact CB-CG1 3.72Å; A217-L234 VanDerWaalsContact CA-CD1 3.42Å; A217-L234 HydrophobicContact CB-CD1 3.9Å |
| 218 | A | 94.4 | Very high | 95.2 | Very high | 19 Ų | 19 | 29.4 Ų | 29.4 | 16% | 0.157 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L210 D216 N222 | L210-A218 HydrophobicContact CB-CB 4.36Å; D216-A218 VanDerWaalsContact C-N 3.31Å; D216-A218 PolarHBondContact O-N 2.6Å; A218-N222 WeakPolarHBondContact O-CB 3.48Å; A218-N222 PolarHBondContact O-N 2.76Å; A218-N222 VanDerWaalsContact O-N 3.11Å; A218-N222 PolarHBondContact O-ND2 3.04Å; A218-N222 PolarHBondContact O-OD1 2.99Å |
| 219 | E | 93.4 | Very high | 95.2 | Very high | 109 Ų | 109 | 31 Ų | 31 | 51% | 0.509 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -69 | -47.3 | 179.3 | -166.8 | 177 | 173 | 0 | 0 | 111.1 | D216 Y221 N222 V223 V244 | D216-E219 PolarHBondContact O-N 3.05Å; D216-E219 VanDerWaalsContact O-N 3.15Å; E219-Y221 PolarHBondContact O-N 2.85Å; E219-N222 PolarHBondContact O-N 3.46Å; E219-N222 VanDerWaalsContact O-N 3.08Å; E219-V223 PolarHBondContact O-N 2.78Å; E219-V244 HydrophobicContact CB-CG1 4.37Å; E219-V244 HydrophobicContact CG-CB 4.11Å; E219-V244 HydrophobicContact CG-CG1 3.83Å |
| 220 | L | 95.1 | Very high | 95.1 | Very high | 8 Ų | 8 | 30.9 Ų | 30.9 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.3 | -46.7 | 177 | -177.2 | 63 | 0 | 0 | 0 | 111.2 | D216 N222 V223 N224 V230 Q233 L234 L241 V244 | D216-L220 WeakPolarHBondContact O-CB 2.95Å; D216-L220 PolarHBondContact O-N 3.1Å; L220-N222 PolarHBondContact O-N 2.86Å; L220-V223 HydrophobicContact CD1-CG2 4.45Å; L220-V223 WeakPolarHBondContact O-CG2 3.32Å; L220-V223 PolarHBondContact O-N 3.49Å; L220-N224 VanDerWaalsContact CD1-ND2 3.27Å; L220-N224 WeakPolarHBondContact CD1-ND2 2.94Å; L220-N224 WeakPolarHBondContact CG-ND2 2.92Å; L220-N224 PolarHBondContact O-N 2.82Å; L220-N224 PolarHBondContact O-ND2 3.14Å; L220-N224 PolarHBondContact O-OD1 3.44Å; L220-V230 HydrophobicContact CB-CG2 4.26Å; L220-V230 HydrophobicContact CD2-CB 4.38Å; L220-V230 HydrophobicContact CD2-CG2 3.95Å; L220-V230 HydrophobicContact CG-CG2 3.94Å; L220-Q233 HydrophobicContact CD2-CB 4.25Å; L220-L234 HydrophobicContact CB-CD1 4.19Å; L220-L234 HydrophobicContact CD2-CD1 3.68Å; L220-L234 HydrophobicContact CD2-CG 3.84Å; L220-L241 HydrophobicContact CB-CD1 4.46Å; L220-L241 HydrophobicContact CD1-CD1 3.94Å; L220-L241 HydrophobicContact CD2-CD1 3.77Å; L220-L241 HydrophobicContact CG-CD1 4.27Å; L220-V244 HydrophobicContact CB-CG1 4.35Å; L220-V244 HydrophobicContact CD1-CG1 4.27Å |
| 221 | Y | 95.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 0% | 0.004 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.4 | -35.4 | 176.3 | -177.2 | -99.2 | 0 | 0 | 0 | 112.5 | F81 K206 L210 A217 E219 V223 T225 L227 V230 | F81-Y221 WeakPolarHBondContact CA-OH 3.44Å; F81-Y221 VanDerWaalsContact CB-OH 3.31Å; F81-Y221 WeakPolarHBondContact CB-OH 3.35Å; F81-Y221 HydrophobicContact CD1-CE1 4.32Å; F81-Y221 PolarHBondContact O-OH 2.93Å; K206-Y221 HydrophobicContact CD-CE1 4.48Å; L210-Y221 HydrophobicContact CD1-CD1 4.22Å; L210-Y221 HydrophobicContact CD1-CG 4.07Å; A217-Y221 WeakPolarHBondContact O-CB 3.27Å; A217-Y221 PolarHBondContact O-N 3.18Å; E219-Y221 PolarHBondContact O-N 2.85Å; Y221-V223 VanDerWaalsContact C-N 3.26Å; Y221-V223 PolarHBondContact O-N 2.73Å; Y221-T225 HydrophobicContact CE1-CG2 4.03Å; Y221-T225 HydrophobicContact CE2-CG2 3.99Å; Y221-T225 WeakPolarHBondContact O-CA 3.41Å; Y221-T225 PolarHBondContact O-N 3.06Å; Y221-T225 WeakPolarHBondContact OH-CG2 3.44Å; Y221-L227 HydrophobicContact CD2-CD2 3.7Å; Y221-L227 HydrophobicContact CD2-CG 4.27Å; Y221-L227 HydrophobicContact CE2-CD2 3.62Å; Y221-L227 HydrophobicContact CE2-CG 3.83Å; Y221-V230 HydrophobicContact CD2-CG2 4.42Å |
| 222 | N | 95.1 | Very high | 95.1 | Very high | 21 Ų | 21 | 29 Ų | 29 | 11% | 0.112 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.8 | -21.9 | -178.1 | -71.3 | -14.9 | 0 | 0 | 0 | 113.2 | A218 E219 L220 F252 K253 P446 D447 | A218-N222 WeakPolarHBondContact O-CB 3.48Å; A218-N222 PolarHBondContact O-N 2.76Å; A218-N222 VanDerWaalsContact O-N 3.11Å; A218-N222 PolarHBondContact O-ND2 3.04Å; A218-N222 PolarHBondContact O-OD1 2.99Å; E219-N222 PolarHBondContact O-N 3.46Å; E219-N222 VanDerWaalsContact O-N 3.08Å; L220-N222 PolarHBondContact O-N 2.86Å; N222-F252 CarbonylContact O-C 3.51Å; N222-F252 WeakPolarHBondContact O-CA 3.34Å; N222-F252 WeakPolarHBondContact O-CB 3.48Å; N222-K253 HydrophobicContact CB-CG 4.49Å; N222-K253 PolarHBondContact O-N 3.05Å; N222-P446 HydrophobicContact CB-CB 4.09Å; N222-D447 HydrophobicContact CB-CB 4.44Å; N222-D447 PolarHBondContact OD1-OD2 2.88Å |
| 223 | V | 95.1 | Very high | 94.9 | Very high | 12 Ų | 12 | 31.6 Ų | 31.6 | 7% | 0.073 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -97.4 | -13.4 | 179.2 | -61.4 | 0 | 0 | 0 | 0 | 114.6 | E219 L220 Y221 V244 S245 I246 P446 | E219-V223 PolarHBondContact O-N 2.78Å; L220-V223 HydrophobicContact CD1-CG2 4.45Å; L220-V223 WeakPolarHBondContact O-CG2 3.32Å; L220-V223 PolarHBondContact O-N 3.49Å; Y221-V223 VanDerWaalsContact C-N 3.26Å; Y221-V223 PolarHBondContact O-N 2.73Å; V223-V244 HydrophobicContact CG1-CG1 4.21Å; V223-V244 HydrophobicContact CG2-CG1 3.48Å; V223-V244 VanDerWaalsContact CG2-CG1 3.48Å; V223-S245 WeakPolarHBondContact CG2-O 3.49Å; V223-I246 HydrophobicContact CB-CG1 4.37Å; V223-I246 HydrophobicContact CG1-CG1 4.19Å; V223-P446 HydrophobicContact CG1-CG 4.18Å |
| 224 | N | 91.7 | Very high | 94.8 | Very high | 11 Ų | 11 | 31.5 Ų | 31.5 | 6% | 0.059 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -132.8 | -15.6 | -179.8 | 63.2 | 49.4 | 0 | 0 | 0 | 115.8 | L220 D226 K229 A251 | L220-N224 VanDerWaalsContact CD1-ND2 3.27Å; L220-N224 WeakPolarHBondContact CD1-ND2 2.94Å; L220-N224 WeakPolarHBondContact CG-ND2 2.92Å; L220-N224 PolarHBondContact O-N 2.82Å; L220-N224 PolarHBondContact O-ND2 3.14Å; L220-N224 PolarHBondContact O-OD1 3.44Å; N224-D226 PolarHBondContact O-N 3.48Å; N224-D226 VanDerWaalsContact O-N 3.14Å; N224-D226 PolarHBondContact OD1-N 3.46Å; N224-D226 PolarHBondContact OD1-O 3.06Å; N224-K229 HydrophobicContact CB-CD 4.46Å; N224-A251 CarbonylContact C-O 3.5Å; N224-A251 WeakPolarHBondContact CA-O 3.39Å |
| 225 | T | 94.8 | Very high | 94.7 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | trans | 50.1 | 32.6 | -178 | -41 | 0 | 0 | 0 | 0 | 114 | R83 Y221 A251 A301 | R83-T225 HydrophobicContact CG-CG2 4.32Å; Y221-T225 HydrophobicContact CE1-CG2 4.03Å; Y221-T225 HydrophobicContact CE2-CG2 3.99Å; Y221-T225 WeakPolarHBondContact O-CA 3.41Å; Y221-T225 PolarHBondContact O-N 3.06Å; Y221-T225 WeakPolarHBondContact OH-CG2 3.44Å; T225-A251 WeakPolarHBondContact CB-O 3.43Å; T225-A251 PolarHBondContact N-O 3.3Å; T225-A251 VanDerWaalsContact N-O 3.12Å; T225-A251 PolarHBondContact OG1-O 2.83Å; T225-A301 HydrophobicContact CG2-CB 3.48Å; T225-A301 VanDerWaalsContact CG2-CB 3.48Å | ||
| 226 | D | 93.7 | Very high | 94.5 | Very high | 66 Ų | 66 | 32.9 Ų | 32.9 | 35% | 0.353 | 16% | 0.163 | S | C | . | . | trans | -120.1 | 105.3 | -176.2 | -175.2 | -19.7 | 0 | 0 | 0 | 110.4 | N224 K228 K229 V230 | N224-D226 PolarHBondContact O-N 3.48Å; N224-D226 VanDerWaalsContact O-N 3.14Å; N224-D226 PolarHBondContact OD1-N 3.46Å; N224-D226 PolarHBondContact OD1-O 3.06Å; D226-K228 VanDerWaalsContact C-N 3.27Å; D226-K228 PolarHBondContact O-N 3.27Å; D226-K228 WeakPolarHBondContact OD1-CA 3.44Å; D226-K228 VanDerWaalsContact OD1-CB 3.24Å; D226-K228 WeakPolarHBondContact OD1-CB 3.24Å; D226-K228 PolarHBondContact OD1-N 3.46Å; D226-K229 HydrophobicContact CB-CB 3.89Å; D226-K229 PolarHBondContact O-N 2.96Å; D226-K229 PolarHBondContact OD1-N 2.8Å; D226-V230 VanDerWaalsContact O-CG2 3.26Å; D226-V230 WeakPolarHBondContact O-CG2 3.49Å; D226-V230 PolarHBondContact O-N 3.08Å; D226-V230 VanDerWaalsContact O-N 3.08Å | ||
| 227 | L | 95.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.3 | -28.9 | 178.5 | -69.6 | 177.3 | 0 | 0 | 0 | 112.6 | Y71 M74 V78 F81 E82 L210 Y221 C231 | Y71-L227 HydrophobicContact CD2-CB 3.98Å; Y71-L227 HydrophobicContact CE2-CB 3.9Å; M74-L227 HydrophobicContact CG-CB 4.48Å; M74-L227 HydrophobicContact CG-CD1 4.37Å; M74-L227 HydrophobicContact CG-CD2 4.13Å; V78-L227 HydrophobicContact CG2-CD1 3.77Å; V78-L227 HydrophobicContact CG2-CD2 4.25Å; F81-L227 HydrophobicContact CB-CD1 4.38Å; E82-L227 HydrophobicContact CB-CD1 4.3Å; L210-L227 HydrophobicContact CD2-CD2 4.21Å; Y221-L227 HydrophobicContact CD2-CD2 3.7Å; Y221-L227 HydrophobicContact CD2-CG 4.27Å; Y221-L227 HydrophobicContact CE2-CD2 3.62Å; Y221-L227 HydrophobicContact CE2-CG 3.83Å; L227-C231 WeakPolarHBondContact O-CB 3.08Å; L227-C231 PolarHBondContact O-N 3Å; L227-C231 PolarHBondContact O-SG 3.12Å |
| 228 | K | 95.4 | Very high | 94.2 | Very high | 79 Ų | 79 | 39.6 Ų | 39.6 | 34% | 0.343 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -69.7 | -49.8 | 178.9 | -173.6 | 178.9 | 179.9 | 177.5 | 0 | 109.6 | Y71 D226 V230 C231 Q232 | Y71-K228 HydrophobicContact CD1-CB 3.99Å; Y71-K228 HydrophobicContact CD1-CD 4.2Å; Y71-K228 HydrophobicContact CD1-CG 3.85Å; Y71-K228 HydrophobicContact CD2-CB 3.68Å; Y71-K228 HydrophobicContact CD2-CG 4.36Å; Y71-K228 HydrophobicContact CE1-CB 4.03Å; Y71-K228 HydrophobicContact CE1-CD 4.1Å; Y71-K228 HydrophobicContact CE1-CG 4.12Å; Y71-K228 HydrophobicContact CE2-CB 3.74Å; Y71-K228 HydrophobicContact CG-CB 3.8Å; Y71-K228 HydrophobicContact CG-CG 3.96Å; D226-K228 VanDerWaalsContact C-N 3.27Å; D226-K228 PolarHBondContact O-N 3.27Å; D226-K228 WeakPolarHBondContact OD1-CA 3.44Å; D226-K228 VanDerWaalsContact OD1-CB 3.24Å; D226-K228 WeakPolarHBondContact OD1-CB 3.24Å; D226-K228 PolarHBondContact OD1-N 3.46Å; K228-V230 VanDerWaalsContact C-N 3.29Å; K228-V230 PolarHBondContact O-N 3.12Å; K228-C231 PolarHBondContact O-N 3.28Å; K228-C231 VanDerWaalsContact O-N 3.15Å; K228-Q232 WeakPolarHBondContact O-CB 3.23Å; K228-Q232 WeakPolarHBondContact O-CG 3.41Å; K228-Q232 PolarHBondContact O-N 2.67Å |
| 229 | K | 94.2 | Very high | 94 | Very high | 40 Ų | 40 | 42.4 Ų | 42.4 | 17% | 0.174 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -57 | -43.3 | 175 | -171 | 171.3 | 179.8 | 175.5 | 0 | 111.4 | N224 D226 Q232 Q233 E247 | N224-K229 HydrophobicContact CB-CD 4.46Å; D226-K229 HydrophobicContact CB-CB 3.89Å; D226-K229 PolarHBondContact O-N 2.96Å; D226-K229 PolarHBondContact OD1-N 2.8Å; K229-Q232 PolarHBondContact O-N 3.46Å; K229-Q233 HydrophobicContact CG-CG 4.22Å; K229-Q233 WeakPolarHBondContact O-CB 3.14Å; K229-Q233 WeakPolarHBondContact O-CG 3.11Å; K229-Q233 PolarHBondContact O-N 3.04Å; K229-E247 IonicContact NZ-OE2 2.66Å; K229-E247 PolarHBondContact NZ-OE2 3.34Å |
| 230 | V | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.5 | -49.8 | 174.9 | 170.3 | 0 | 0 | 0 | 0 | 111.9 | L210 F213 A217 L220 Y221 D226 K228 Q232 L234 | L210-V230 HydrophobicContact CD2-CG1 4.36Å; F213-V230 HydrophobicContact CD1-CG1 4.44Å; F213-V230 HydrophobicContact CE1-CG1 4.37Å; A217-V230 HydrophobicContact CB-CG1 3.72Å; L220-V230 HydrophobicContact CB-CG2 4.26Å; L220-V230 HydrophobicContact CD2-CB 4.38Å; L220-V230 HydrophobicContact CD2-CG2 3.95Å; L220-V230 HydrophobicContact CG-CG2 3.94Å; Y221-V230 HydrophobicContact CD2-CG2 4.42Å; D226-V230 VanDerWaalsContact O-CG2 3.26Å; D226-V230 WeakPolarHBondContact O-CG2 3.49Å; D226-V230 PolarHBondContact O-N 3.08Å; D226-V230 VanDerWaalsContact O-N 3.08Å; K228-V230 VanDerWaalsContact C-N 3.29Å; K228-V230 PolarHBondContact O-N 3.12Å; V230-Q232 VanDerWaalsContact C-N 3.28Å; V230-Q232 PolarHBondContact O-N 2.91Å; V230-L234 HydrophobicContact CG1-CD1 4.45Å; V230-L234 WeakPolarHBondContact O-CB 3.32Å; V230-L234 PolarHBondContact O-N 2.95Å; V230-L234 VanDerWaalsContact O-N 3.08Å |
| 231 | C | 96.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.8 | -28.3 | -178.1 | -66.7 | 0 | 0 | 0 | 0 | 113.4 | F213 L227 K228 | F213-C231 HydrophobicContact CZ-CB 4.3Å; L227-C231 WeakPolarHBondContact O-CB 3.08Å; L227-C231 PolarHBondContact O-N 3Å; L227-C231 PolarHBondContact O-SG 3.12Å; K228-C231 PolarHBondContact O-N 3.28Å; K228-C231 VanDerWaalsContact O-N 3.15Å |
| 232 | Q | 94.3 | Very high | 92.6 | Very high | 73 Ų | 73 | 49.1 Ų | 49.1 | 34% | 0.341 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -81.3 | -47.8 | 179.2 | -72.5 | 178.7 | -32.1 | 0 | 0 | 112.1 | T67 K228 K229 V230 | T67-Q232 PolarHBondContact O-NE2 2.77Å; K228-Q232 WeakPolarHBondContact O-CB 3.23Å; K228-Q232 WeakPolarHBondContact O-CG 3.41Å; K228-Q232 PolarHBondContact O-N 2.67Å; K229-Q232 PolarHBondContact O-N 3.46Å; V230-Q232 VanDerWaalsContact C-N 3.28Å; V230-Q232 PolarHBondContact O-N 2.91Å |
| 233 | Q | 93.8 | Very high | 92 | Very high | 95 Ų | 95 | 54.7 Ų | 54.7 | 44% | 0.444 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -74.9 | -32 | -176.9 | -67.6 | -171.1 | -9.1 | 0 | 0 | 113.1 | L220 K229 | L220-Q233 HydrophobicContact CD2-CB 4.25Å; K229-Q233 HydrophobicContact CG-CG 4.22Å; K229-Q233 WeakPolarHBondContact O-CB 3.14Å; K229-Q233 WeakPolarHBondContact O-CG 3.11Å; K229-Q233 PolarHBondContact O-N 3.04Å |
| 234 | L | 95.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 34.1 | -178.5 | -60.4 | 177.2 | 0 | 0 | 0 | 111.8 | F213 H214 D216 A217 L220 V230 L241 | F213-L234 HydrophobicContact CE1-CB 4.14Å; F213-L234 WeakPolarHBondContact CE1-O 3.38Å; H214-L234 HydrophobicContact CB-CB 3.98Å; H214-L234 HydrophobicContact CB-CD1 4.15Å; D216-L234 HydrophobicContact CB-CD1 4.07Å; D216-L234 HydrophobicContact CB-CD2 4.3Å; A217-L234 VanDerWaalsContact CA-CD1 3.42Å; A217-L234 HydrophobicContact CB-CD1 3.9Å; L220-L234 HydrophobicContact CB-CD1 4.19Å; L220-L234 HydrophobicContact CD2-CD1 3.68Å; L220-L234 HydrophobicContact CD2-CG 3.84Å; V230-L234 HydrophobicContact CG1-CD1 4.45Å; V230-L234 WeakPolarHBondContact O-CB 3.32Å; V230-L234 PolarHBondContact O-N 2.95Å; V230-L234 VanDerWaalsContact O-N 3.08Å; L234-L241 HydrophobicContact CD2-CD1 3.68Å; L234-L241 HydrophobicContact CD2-CD2 4.38Å; L234-L241 HydrophobicContact CD2-CG 3.65Å; L234-L241 HydrophobicContact CG-CD1 4.25Å |
| 235 | H | 94.1 | Very high | 91.6 | Very high | 48 Ų | 48 | 55.7 Ų | 55.7 | 22% | 0.222 | 31% | 0.313 | C | S | . | . | trans | -60 | -48.2 | 178.9 | 178.8 | 81.5 | 0 | 0 | 0 | 111.2 | R53 H56 | R53-H235 PolarHBondContact NE-O 3.44Å; R53-H235 PolarHBondContact NH2-O 2.81Å; H56-H235 AromaticContact CD2-CE1 3.74Å; H56-H235 AromaticContact CE1-CE1 3.44Å; H56-H235 PolarHBondContact CE1-CE1 2.85Å; H56-H235 VanDerWaalsContact CE1-CE1 3.44Å; H56-H235 AromaticContact CE1-NE2 3.52Å; H56-H235 AromaticContact CG-CE1 3.49Å; H56-H235 VanDerWaalsContact CG-CE1 3.49Å; H56-H235 AromaticContact CG-NE2 3.9Å; H56-H235 AromaticContact ND1-CE1 3.31Å; H56-H235 PolarHBondContact ND1-CE1 3.17Å; H56-H235 VanDerWaalsContact ND1-CE1 3.31Å; H56-H235 AromaticContact ND1-NE2 3.28Å; H56-H235 PolarHBondContact ND1-NE2 3.36Å; H56-H235 AromaticContact NE2-CE1 3.69Å | ||
| 236 | D | 91.6 | Very high | 91.6 | Very high | 73 Ų | 73 | 56.2 Ų | 56.2 | 39% | 0.39 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -81 | 117.7 | 176.2 | -171.9 | -22.8 | 0 | 0 | 0 | 110.3 | H214 S238 V239 | H214-D236 PolarHBondContact CD2-O 2.94Å; H214-D236 PolarHBondContact NE2-O 3.42Å; D236-S238 VanDerWaalsContact CG-OG 3.28Å; D236-S238 PolarHBondContact O-N 2.83Å; D236-S238 WeakPolarHBondContact OD1-CB 3.47Å; D236-S238 PolarHBondContact OD1-N 3.08Å; D236-S238 PolarHBondContact OD1-OG 2.92Å; D236-S238 PolarHBondContact OD2-OG 3.37Å; D236-V239 HydrophobicContact CB-CB 4.3Å; D236-V239 HydrophobicContact CB-CG2 3.99Å; D236-V239 PolarHBondContact O-N 2.79Å |
| 237 | P | 92.7 | Very high | 91.6 | Very high | 68 Ų | 68 | 56.8 Ų | 56.8 | 44% | 0.442 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -12.5 | 179.6 | 29.4 | -34.1 | 0 | 0 | 0 | 114.8 | ||
| 238 | S | 91.3 | Very high | 91.7 | Very high | 99 Ų | 99 | 58.5 Ų | 58.5 | 69% | 0.692 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -10 | -179.1 | 70.3 | 0 | 0 | 0 | 0 | 113.6 | D236 | D236-S238 VanDerWaalsContact CG-OG 3.28Å; D236-S238 PolarHBondContact O-N 2.83Å; D236-S238 WeakPolarHBondContact OD1-CB 3.47Å; D236-S238 PolarHBondContact OD1-N 3.08Å; D236-S238 PolarHBondContact OD1-OG 2.92Å; D236-S238 PolarHBondContact OD2-OG 3.37Å |
| 239 | V | 90.3 | Very high | 91.8 | Very high | 78 Ų | 78 | 57.3 Ų | 57.3 | 47% | 0.473 | 32% | 0.32 | S | S | . | . | trans | -104.4 | 106.5 | -175.7 | 179.1 | 0 | 0 | 0 | 0 | 110.2 | H214 D236 | H214-V239 PolarHBondContact CE1-O 2.88Å; H214-V239 PolarHBondContact NE2-O 3.12Å; D236-V239 HydrophobicContact CB-CB 4.3Å; D236-V239 HydrophobicContact CB-CG2 3.99Å; D236-V239 PolarHBondContact O-N 2.79Å | ||
| 240 | S | 88 | Confident | 91.8 | Very high | 79 Ų | 79 | 56.6 Ų | 56.6 | 55% | 0.552 | 32% | 0.32 | S | S | * | . | trans | -83.2 | 149.1 | 172.5 | -82.6 | 0 | 0 | 0 | 0 | 112.9 | D216 | D216-S240 WeakPolarHBondContact OD2-CA 3.45Å; D216-S240 VanDerWaalsContact OD2-CB 3.24Å; D216-S240 WeakPolarHBondContact OD2-CB 3.26Å; D216-S240 PolarHBondContact OD2-OG 3.11Å; D216-S240 VanDerWaalsContact OD2-OG 3.08Å | ||
| 241 | L | 87.5 | Confident | 91.9 | Very high | 56 Ų | 56 | 57 Ų | 57 | 29% | 0.293 | 32% | 0.324 | S | S | . | . | trans | -82.1 | 129.3 | 174.1 | -66.3 | 173.5 | 0 | 0 | 0 | 110.3 | D216 L220 L234 V244 | D216-L241 PolarHBondContact OD2-N 3.46Å; L220-L241 HydrophobicContact CB-CD1 4.46Å; L220-L241 HydrophobicContact CD1-CD1 3.94Å; L220-L241 HydrophobicContact CD2-CD1 3.77Å; L220-L241 HydrophobicContact CG-CD1 4.27Å; L234-L241 HydrophobicContact CD2-CD1 3.68Å; L234-L241 HydrophobicContact CD2-CD2 4.38Å; L234-L241 HydrophobicContact CD2-CG 3.65Å; L234-L241 HydrophobicContact CG-CD1 4.25Å; L241-V244 HydrophobicContact CB-CG2 3.81Å; L241-V244 HydrophobicContact CD1-CG2 3.94Å | ||
| 242 | S | 79.4 | Confident | 91.9 | Very high | 125 Ų | 125 | 57 Ų | 57 | 87% | 0.874 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -69.8 | -34.9 | 179.9 | 50.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 243 | E | 81.2 | Confident | 92 | Very high | 137 Ų | 137 | 54.1 Ų | 54.1 | 64% | 0.64 | 31% | 0.31 | S | S | * | . | trans | -141.6 | 97 | 178.9 | -68.9 | -160 | 146 | 0 | 0 | 113.2 | ||||
| 244 | V | 86.8 | Confident | 92.1 | Very high | 19 Ų | 19 | 49.8 Ų | 49.8 | 12% | 0.115 | 29% | 0.29 | C | S | . | . | trans | -86.4 | 121.1 | 167 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | E219 L220 V223 L241 | E219-V244 HydrophobicContact CB-CG1 4.37Å; E219-V244 HydrophobicContact CG-CB 4.11Å; E219-V244 HydrophobicContact CG-CG1 3.83Å; L220-V244 HydrophobicContact CB-CG1 4.35Å; L220-V244 HydrophobicContact CD1-CG1 4.27Å; V223-V244 HydrophobicContact CG1-CG1 4.21Å; V223-V244 HydrophobicContact CG2-CG1 3.48Å; V223-V244 VanDerWaalsContact CG2-CG1 3.48Å; L241-V244 HydrophobicContact CB-CG2 3.81Å; L241-V244 HydrophobicContact CD1-CG2 3.94Å | ||
| 245 | S | 91.2 | Very high | 92.2 | Very high | 25 Ų | 25 | 50 Ų | 50 | 18% | 0.175 | 29% | 0.291 | C | S | . | . | trans | -153.8 | 164.2 | -177.8 | 54.2 | 0 | 0 | 0 | 0 | 112.3 | V223 K382 | V223-S245 WeakPolarHBondContact CG2-O 3.49Å; S245-K382 PolarHBondContact OG-NZ 3.15Å | ||
| 246 | I | 95.3 | Very high | 92.4 | Very high | 16 Ų | 16 | 48.8 Ų | 48.8 | 8% | 0.082 | 29% | 0.286 | C | S | . | . | trans | -66 | 134.3 | 176.6 | -65.9 | 166 | 0 | 0 | 0 | 109.5 | V223 F252 I333 L376 Y444 P446 | V223-I246 HydrophobicContact CB-CG1 4.37Å; V223-I246 HydrophobicContact CG1-CG1 4.19Å; I246-F252 HydrophobicContact CD1-CD1 4.31Å; I246-F252 HydrophobicContact CD1-CD2 4.08Å; I246-F252 HydrophobicContact CD1-CE2 4.36Å; I246-F252 HydrophobicContact CD1-CG 4.06Å; I246-F252 HydrophobicContact CG1-CB 4.15Å; I246-F252 HydrophobicContact CG1-CD1 4.31Å; I246-F252 HydrophobicContact CG1-CG 4.1Å; I246-F252 HydrophobicContact CG2-CD1 3.68Å; I246-F252 HydrophobicContact CG2-CE1 4.08Å; I246-F252 HydrophobicContact CG2-CG 4.32Å; I246-I333 HydrophobicContact CG2-CD1 3.74Å; I246-L376 HydrophobicContact CD1-CB 4.48Å; I246-L376 HydrophobicContact CD1-CD1 3.59Å; I246-L376 HydrophobicContact CD1-CG 4.09Å; I246-Y444 HydrophobicContact CD1-CD1 4.24Å; I246-Y444 HydrophobicContact CD1-CE1 4.43Å; I246-P446 HydrophobicContact CD1-CG 4.14Å; I246-P446 HydrophobicContact CG1-CG 4.39Å | ||
| 247 | E | 94.8 | Very high | 92.6 | Very high | 79 Ų | 79 | 45.9 Ų | 45.9 | 37% | 0.369 | 27% | 0.272 | S | S | . | . | trans | -119.2 | 151.1 | -179.1 | -69.6 | 178.4 | 170.8 | 0 | 0 | 111.6 | K229 S250 | K229-E247 IonicContact NZ-OE2 2.66Å; K229-E247 PolarHBondContact NZ-OE2 3.34Å; E247-S250 PolarHBondContact O-N 2.83Å | ||
| 248 | L | 97 | Very high | 92.8 | Very high | 38 Ų | 38 | 43.8 Ų | 43.8 | 20% | 0.199 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 142.7 | 174.3 | -172.1 | 62.9 | 0 | 0 | 0 | 110.5 | S250 H288 D290 N331 I333 | L248-S250 PolarHBondContact O-N 2.88Å; L248-H288 HydrophobicContact CD1-CB 4.2Å; L248-D290 HydrophobicContact CD2-CB 3.99Å; L248-N331 HydrophobicContact CD2-CB 4.07Å; L248-I333 HydrophobicContact CD1-CG1 4.11Å |
| 249 | F | 96.9 | Very high | 93 | Very high | 54 Ų | 54 | 42.7 Ų | 42.7 | 24% | 0.237 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 12 | -173.1 | -56.1 | -46.9 | 0 | 0 | 0 | 118.2 | H288 D290 V293 K295 | F249-H288 HydrophobicContact CD1-CB 3.62Å; F249-H288 HydrophobicContact CE1-CB 3.88Å; F249-H288 PolarHBondContact N-ND1 2.75Å; F249-D290 HydrophobicContact CE2-CB 3.63Å; F249-D290 HydrophobicContact CZ-CB 3.42Å; F249-D290 VanDerWaalsContact CZ-CB 3.42Å; F249-V293 HydrophobicContact CE1-CG1 4.18Å; F249-V293 HydrophobicContact CE2-CG1 4.27Å; F249-V293 HydrophobicContact CZ-CB 4.01Å; F249-V293 HydrophobicContact CZ-CG1 3.7Å; F249-K295 HydrophobicContact CB-CD 4.03Å; F249-K295 HydrophobicContact CD1-CB 3.91Å; F249-K295 HydrophobicContact CD1-CD 3.77Å; F249-K295 HydrophobicContact CD1-CG 3.63Å; F249-K295 HydrophobicContact CE1-CB 4.34Å; F249-K295 HydrophobicContact CE1-CG 4.04Å; F249-K295 HydrophobicContact CG-CD 4.14Å; F249-K295 HydrophobicContact CG-CG 4.45Å |
| 250 | S | 95.3 | Very high | 93.2 | Very high | 26 Ų | 26 | 39.6 Ų | 39.6 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | trans | -103.5 | 128.4 | 172.7 | -64.2 | 0 | 0 | 0 | 0 | 110.6 | E247 L248 F252 H288 | E247-S250 PolarHBondContact O-N 2.83Å; L248-S250 PolarHBondContact O-N 2.88Å; S250-F252 PolarHBondContact O-N 3.07Å; S250-H288 PolarHBondContact O-CE1 3.37Å | ||
| 251 | A | 96.1 | Very high | 93.4 | Very high | 9 Ų | 9 | 39.4 Ų | 39.4 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | trans | -75.9 | 124.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | N224 T225 F297 A301 | N224-A251 CarbonylContact C-O 3.5Å; N224-A251 WeakPolarHBondContact CA-O 3.39Å; T225-A251 WeakPolarHBondContact CB-O 3.43Å; T225-A251 PolarHBondContact N-O 3.3Å; T225-A251 VanDerWaalsContact N-O 3.12Å; T225-A251 PolarHBondContact OG1-O 2.83Å; A251-F297 HydrophobicContact CB-CB 4.05Å; A251-F297 HydrophobicContact CB-CD1 3.67Å; A251-F297 HydrophobicContact CB-CD2 4.14Å; A251-F297 HydrophobicContact CB-CE1 4.07Å; A251-F297 HydrophobicContact CB-CE2 4.49Å; A251-F297 HydrophobicContact CB-CG 3.69Å; A251-F297 HydrophobicContact CB-CZ 4.44Å; A251-A301 HydrophobicContact CB-CB 3.62Å | ||
| 252 | F | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -106.6 | 164.1 | 178.6 | 61.8 | -88.9 | 0 | 0 | 0 | 110.3 | N222 I246 S250 P254 Q286 H288 I333 L376 Y444 | N222-F252 CarbonylContact O-C 3.51Å; N222-F252 WeakPolarHBondContact O-CA 3.34Å; N222-F252 WeakPolarHBondContact O-CB 3.48Å; I246-F252 HydrophobicContact CD1-CD1 4.31Å; I246-F252 HydrophobicContact CD1-CD2 4.08Å; I246-F252 HydrophobicContact CD1-CE2 4.36Å; I246-F252 HydrophobicContact CD1-CG 4.06Å; I246-F252 HydrophobicContact CG1-CB 4.15Å; I246-F252 HydrophobicContact CG1-CD1 4.31Å; I246-F252 HydrophobicContact CG1-CG 4.1Å; I246-F252 HydrophobicContact CG2-CD1 3.68Å; I246-F252 HydrophobicContact CG2-CE1 4.08Å; I246-F252 HydrophobicContact CG2-CG 4.32Å; S250-F252 PolarHBondContact O-N 3.07Å; F252-P254 WeakPolarHBondContact O-CD 2.63Å; F252-Q286 HydrophobicContact CE1-CB 4.01Å; F252-Q286 HydrophobicContact CE1-CG 4.4Å; F252-Q286 HydrophobicContact CZ-CB 3.99Å; F252-Q286 PolarHBondContact O-OE1 2.66Å; F252-H288 AromaticContact CE1-NE2 3.82Å; F252-I333 HydrophobicContact CE1-CG2 3.72Å; F252-I333 HydrophobicContact CZ-CG2 4.32Å; F252-L376 HydrophobicContact CZ-CG 4.2Å; F252-Y444 HydrophobicContact CD2-CE1 4.21Å; F252-Y444 AromaticContact CE2-CE1 3.87Å; F252-Y444 HydrophobicContact CE2-CE1 3.87Å; F252-Y444 AromaticContact CE2-CZ 3.86Å; F252-Y444 WeakPolarHBondContact CE2-OH 3.35Å | ||
| 253 | K | 96.1 | Very high | 94.1 | Very high | 12 Ų | 12 | 40.2 Ų | 40.2 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -82.2 | 116.4 | 171.6 | -66.3 | -61.3 | -177 | -167.7 | 0 | 108.8 | N222 P446 D447 | N222-K253 HydrophobicContact CB-CG 4.49Å; N222-K253 PolarHBondContact O-N 3.05Å; K253-P446 CarbonylContact O-C 3.51Å; K253-P446 WeakPolarHBondContact O-CA 3.1Å; K253-P446 VanDerWaalsContact O-CB 3.28Å; K253-P446 WeakPolarHBondContact O-CB 3.27Å; K253-D447 HydrophobicContact CB-CB 3.56Å; K253-D447 HydrophobicContact CG-CB 4.12Å; K253-D447 PolarHBondContact O-N 2.85Å |
| 254 | P | 97.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -61.5 | 149.4 | -178.6 | -24 | 34.9 | 0 | 0 | 0 | 112.4 | F252 R284 R299 Y444 D447 | F252-P254 WeakPolarHBondContact O-CD 2.63Å; P254-R284 HydrophobicContact CB-CG 4.37Å; P254-R284 HydrophobicContact CG-CG 4.24Å; P254-R299 WeakPolarHBondContact CD-O 3.2Å; P254-Y444 VanDerWaalsContact CA-OH 3.29Å; P254-Y444 WeakPolarHBondContact CA-OH 3.4Å; P254-D447 PolarHBondContact O-N 3.35Å |
| 255 | M | 97.6 | Very high | 95 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.02 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -62.7 | 143.5 | 171.1 | -173.6 | 172.7 | 179.8 | 0 | 0 | 110.7 | Y444 K445 E451 W453 | M255-Y444 HydrophobicContact CB-CD1 4.23Å; M255-Y444 HydrophobicContact CB-CD2 4.35Å; M255-Y444 HydrophobicContact CB-CE1 3.77Å; M255-Y444 HydrophobicContact CB-CE2 3.93Å; M255-Y444 HydrophobicContact CB-CG 4.49Å; M255-Y444 PolarHBondContact N-OH 3.39Å; M255-Y444 HydrophobicContact SD-CD2 4.44Å; M255-Y444 HydrophobicContact SD-CG 4.44Å; M255-K445 WeakPolarHBondContact CB-O 3.23Å; M255-K445 WeakPolarHBondContact CG-O 3.15Å; M255-K445 PolarHBondContact SD-N 3.39Å; M255-K445 VanDerWaalsContact SD-N 3.43Å; M255-E451 HydrophobicContact CE-CB 4.17Å; M255-E451 WeakPolarHBondContact CE-O 3.38Å; M255-W453 HydrophobicContact CB-CE3 4.37Å; M255-W453 HydrophobicContact CB-CH2 4.39Å; M255-W453 HydrophobicContact CB-CZ3 4.18Å; M255-W453 HydrophobicContact CE-CB 4.43Å; M255-W453 HydrophobicContact CE-CD2 4.32Å; M255-W453 HydrophobicContact CE-CG 3.94Å; M255-W453 HydrophobicContact CG-CD2 4.19Å; M255-W453 HydrophobicContact CG-CE3 4.19Å; M255-W453 HydrophobicContact CG-CZ3 4.48Å; M255-W453 HydrophobicContact SD-CD2 4.03Å; M255-W453 HydrophobicContact SD-CG 4.29Å; M255-W453 HydrophobicContact SD-CZ2 4.22Å |
| 256 | L | 97.4 | Very high | 95.1 | Very high | 24 Ų | 24 | 39.5 Ų | 39.5 | 13% | 0.126 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 148.3 | -171.7 | -55 | 178.3 | 0 | 0 | 0 | 111.9 | K448 R449 G450 | L256-K448 WeakPolarHBondContact CA-O 3.39Å; L256-K448 WeakPolarHBondContact CB-O 3.26Å; L256-K448 PolarHBondContact N-O 3.44Å; L256-R449 HydrophobicContact CB-CB 4.16Å; L256-R449 HydrophobicContact CB-CG 4.4Å; L256-R449 WeakPolarHBondContact O-CA 3.49Å; L256-G450 PolarHBondContact O-N 2.84Å |
| 257 | A | 97.1 | Very high | 95 | Very high | 11 Ų | 11 | 46.3 Ų | 46.3 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 140.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | M436 R449 W453 K455 | A257-M436 HydrophobicContact CB-CE 3.61Å; A257-R449 WeakPolarHBondContact O-CG 3.37Å; A257-R449 PolarHBondContact O-NH1 3.22Å; A257-W453 WeakPolarHBondContact CA-O 3.5Å; A257-W453 HydrophobicContact CB-CB 4.2Å; A257-K455 HydrophobicContact CB-CB 3.93Å; A257-K455 HydrophobicContact CB-CD 4.32Å; A257-K455 HydrophobicContact CB-CG 4.02Å |
| 258 | A | 96.7 | Very high | 94.9 | Very high | 25 Ų | 25 | 46.8 Ų | 46.8 | 21% | 0.207 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 158.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | A260 R449 G450 W453 L454 K455 | A258-A260 PolarHBondContact O-N 3.28Å; A258-R449 HydrophobicContact CB-CG 4.08Å; A258-G450 VanDerWaalsContact CB-CA 3.4Å; A258-W453 PolarHBondContact N-O 2.9Å; A258-L454 HydrophobicContact CB-CD2 3.89Å; A258-L454 CarbonylContact O-C 3.47Å; A258-L454 VanDerWaalsContact O-CA 3.31Å; A258-L454 WeakPolarHBondContact O-CA 3.4Å; A258-K455 WeakPolarHBondContact O-CG 3.27Å; A258-K455 PolarHBondContact O-N 2.95Å |
| 259 | V | 95.3 | Very high | 94.7 | Very high | 76 Ų | 76 | 45.4 Ų | 45.4 | 46% | 0.461 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 127.4 | 172.9 | 178.3 | 0 | 0 | 0 | 0 | 108.1 | Y460 | V259-Y460 HydrophobicContact CG1-CD2 3.61Å; V259-Y460 HydrophobicContact CG1-CE2 4.07Å; V259-Y460 HydrophobicContact CG1-CG 3.97Å; V259-Y460 HydrophobicContact CG2-CD2 4.23Å; V259-Y460 HydrophobicContact CG2-CE2 3.82Å |
| 260 | A | 93.5 | Very high | 94.5 | Very high | 13 Ų | 13 | 45.4 Ų | 45.4 | 11% | 0.107 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -82.6 | 153.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A258 I265 L454 K455 I456 | A258-A260 PolarHBondContact O-N 3.28Å; A260-I265 HydrophobicContact CB-CD1 3.81Å; A260-L454 HydrophobicContact CB-CB 3.73Å; A260-L454 HydrophobicContact CB-CD1 3.95Å; A260-L454 HydrophobicContact CB-CG 4.33Å; A260-K455 PolarHBondContact N-O 3.2Å; A260-I456 HydrophobicContact CB-CD1 3.81Å; A260-I456 HydrophobicContact CB-CG1 3.43Å; A260-I456 VanDerWaalsContact CB-CG1 3.43Å |
| 261 | N | 92.1 | Very high | 94.3 | Very high | 75 Ų | 75 | 50 Ų | 50 | 40% | 0.401 | 26% | 0.263 | S | S | . | . | trans | -102.3 | 107.9 | 163.7 | 178.4 | -12.3 | 0 | 0 | 0 | 107.8 | R263 N264 I265 Q268 | N261-R263 PolarHBondContact O-N 3.47Å; N261-R263 PolarHBondContact OD1-N 3.44Å; N261-R263 VanDerWaalsContact OD1-N 3.16Å; N261-N264 HydrophobicContact CB-CB 4.39Å; N261-N264 CarbonylContact O-C 3.58Å; N261-N264 PolarHBondContact O-N 2.84Å; N261-I265 PolarHBondContact O-N 2.87Å; N261-I265 VanDerWaalsContact O-N 3.11Å; N261-Q268 PolarHBondContact O-OE1 3.12Å | ||
| 262 | I | 92.3 | Very high | 94.1 | Very high | 14 Ų | 14 | 52.2 Ų | 52.2 | 7% | 0.072 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -51.2 | -43.9 | -175.8 | -61.5 | 169.6 | 0 | 0 | 0 | 111.4 | N264 I265 M417 V420 V421 L424 I456 V461 L621 I623 | I262-N264 PolarHBondContact O-N 3.36Å; I262-I265 WeakPolarHBondContact O-CB 3.18Å; I262-I265 WeakPolarHBondContact O-CG2 3.28Å; I262-I265 PolarHBondContact O-N 3.38Å; I262-M417 HydrophobicContact CG2-CG 4.04Å; I262-V420 HydrophobicContact CG2-CG1 4.39Å; I262-V421 HydrophobicContact CG2-CG2 4.01Å; I262-L424 HydrophobicContact CD1-CD2 3.96Å; I262-I456 HydrophobicContact CD1-CG2 3.73Å; I262-I456 HydrophobicContact CG1-CD1 4.09Å; I262-I456 HydrophobicContact CG1-CG2 3.81Å; I262-V461 HydrophobicContact CD1-CG2 3.58Å; I262-L621 HydrophobicContact CD1-CD2 3.63Å; I262-I623 HydrophobicContact CG2-CD1 3.82Å |
| 263 | R | 90.2 | Very high | 94 | Very high | 184 Ų | 184 | 55.6 Ų | 55.6 | 69% | 0.694 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -66.7 | -21.6 | -177.3 | -66.8 | -177.2 | -180 | -116.4 | -1.3 | 114 | N261 | N261-R263 PolarHBondContact O-N 3.47Å; N261-R263 PolarHBondContact OD1-N 3.44Å; N261-R263 VanDerWaalsContact OD1-N 3.16Å |
| 264 | N | 92 | Very high | 94.1 | Very high | 85 Ų | 85 | 55 Ų | 55 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -113.5 | 14.9 | -179.4 | -68.5 | -9.6 | 0 | 0 | 0 | 111.6 | N261 I262 E266 K267 Q268 | N261-N264 HydrophobicContact CB-CB 4.39Å; N261-N264 CarbonylContact O-C 3.58Å; N261-N264 PolarHBondContact O-N 2.84Å; I262-N264 PolarHBondContact O-N 3.36Å; N264-E266 VanDerWaalsContact C-N 3.31Å; N264-E266 PolarHBondContact O-N 2.91Å; N264-K267 PolarHBondContact O-N 3.24Å; N264-Q268 HydrophobicContact CB-CG 4.5Å; N264-Q268 WeakPolarHBondContact O-CG 3.34Å; N264-Q268 PolarHBondContact O-N 3.33Å |
| 265 | I | 93.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.8 | -40.4 | -168.9 | -166.9 | 58.8 | 0 | 0 | 0 | 112.2 | A260 N261 I262 K267 Q268 M269 M417 V420 V437 L454 I456 | A260-I265 HydrophobicContact CB-CD1 3.81Å; N261-I265 PolarHBondContact O-N 2.87Å; N261-I265 VanDerWaalsContact O-N 3.11Å; I262-I265 WeakPolarHBondContact O-CB 3.18Å; I262-I265 WeakPolarHBondContact O-CG2 3.28Å; I262-I265 PolarHBondContact O-N 3.38Å; I265-K267 PolarHBondContact O-N 2.72Å; I265-Q268 PolarHBondContact O-N 2.82Å; I265-Q268 VanDerWaalsContact O-N 3.16Å; I265-M269 HydrophobicContact CD1-CE 4.48Å; I265-M269 WeakPolarHBondContact O-CG 3.49Å; I265-M269 PolarHBondContact O-N 2.68Å; I265-M417 HydrophobicContact CG2-CB 4.23Å; I265-V420 HydrophobicContact CG1-CG2 4.12Å; I265-V420 HydrophobicContact CG2-CG2 4.02Å; I265-V437 HydrophobicContact CD1-CB 4.3Å; I265-V437 HydrophobicContact CD1-CG1 4.14Å; I265-V437 HydrophobicContact CD1-CG2 4.25Å; I265-V437 HydrophobicContact CG1-CG1 4.21Å; I265-L454 HydrophobicContact CD1-CD1 3.63Å; I265-I456 HydrophobicContact CD1-CD1 4.45Å |
| 266 | E | 94 | Very high | 94.2 | Very high | 80 Ų | 80 | 55.9 Ų | 55.9 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.9 | -49.1 | 176.9 | -62.2 | 173.9 | -161.3 | 0 | 0 | 110.6 | N264 Q268 M269 G270 N271 T416 M417 | N264-E266 VanDerWaalsContact C-N 3.31Å; N264-E266 PolarHBondContact O-N 2.91Å; E266-Q268 PolarHBondContact O-N 3.5Å; E266-M269 CarbonylContact O-C 3.5Å; E266-M269 PolarHBondContact O-N 3Å; E266-M269 VanDerWaalsContact O-N 3.11Å; E266-G270 PolarHBondContact O-N 3.08Å; E266-N271 WeakPolarHBondContact O-CA 3.15Å; E266-N271 PolarHBondContact O-N 2.81Å; E266-N271 PolarHBondContact O-OD1 2.75Å; E266-T416 WeakPolarHBondContact OE1-CA 3.49Å; E266-M417 PolarHBondContact OE1-N 3.06Å |
| 267 | K | 93.7 | Very high | 94.1 | Very high | 158 Ų | 158 | 55.1 Ų | 55.1 | 69% | 0.687 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.5 | -39.2 | 175.5 | -175.6 | 176.4 | -180 | 175.1 | 0 | 112.5 | N264 I265 M269 G270 N271 | N264-K267 PolarHBondContact O-N 3.24Å; I265-K267 PolarHBondContact O-N 2.72Å; K267-M269 PolarHBondContact O-N 3.3Å; K267-G270 PolarHBondContact O-N 2.91Å; K267-G270 VanDerWaalsContact O-N 3.12Å; K267-N271 WeakPolarHBondContact CA-OD1 3.41Å; K267-N271 PolarHBondContact N-OD1 3.37Å |
| 268 | Q | 91.9 | Very high | 94 | Very high | 89 Ų | 89 | 56.8 Ų | 56.8 | 42% | 0.416 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.8 | -26.3 | 176.5 | -71.2 | -173.5 | -51.5 | 0 | 0 | 112.2 | N261 N264 I265 E266 L454 | N261-Q268 PolarHBondContact O-OE1 3.12Å; N264-Q268 HydrophobicContact CB-CG 4.5Å; N264-Q268 WeakPolarHBondContact O-CG 3.34Å; N264-Q268 PolarHBondContact O-N 3.33Å; I265-Q268 PolarHBondContact O-N 2.82Å; I265-Q268 VanDerWaalsContact O-N 3.16Å; E266-Q268 PolarHBondContact O-N 3.5Å; Q268-L454 HydrophobicContact CB-CD1 3.88Å |
| 269 | M | 93.8 | Very high | 94 | Very high | 10 Ų | 10 | 57.3 Ų | 57.3 | 5% | 0.049 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 19.6 | 174 | -63.4 | -51.9 | -171.3 | 0 | 0 | 113.2 | I265 E266 K267 N271 S272 F274 V437 D439 L454 | I265-M269 HydrophobicContact CD1-CE 4.48Å; I265-M269 WeakPolarHBondContact O-CG 3.49Å; I265-M269 PolarHBondContact O-N 2.68Å; E266-M269 CarbonylContact O-C 3.5Å; E266-M269 PolarHBondContact O-N 3Å; E266-M269 VanDerWaalsContact O-N 3.11Å; K267-M269 PolarHBondContact O-N 3.3Å; M269-N271 VanDerWaalsContact C-N 3.26Å; M269-N271 PolarHBondContact O-N 3.2Å; M269-S272 PolarHBondContact O-N 3.39Å; M269-F274 HydrophobicContact CB-CB 4.21Å; M269-F274 HydrophobicContact CB-CD1 3.69Å; M269-F274 HydrophobicContact CB-CG 4.29Å; M269-F274 HydrophobicContact CG-CB 3.87Å; M269-F274 HydrophobicContact CG-CD1 3.68Å; M269-F274 HydrophobicContact CG-CE1 4.49Å; M269-F274 HydrophobicContact CG-CG 3.92Å; M269-F274 HydrophobicContact SD-CB 4.46Å; M269-V437 HydrophobicContact CE-CB 3.56Å; M269-V437 HydrophobicContact CE-CG1 3.3Å; M269-V437 VanDerWaalsContact CE-O 3.25Å; M269-V437 WeakPolarHBondContact CE-O 3.48Å; M269-V437 HydrophobicContact CG-CG1 4.31Å; M269-D439 HydrophobicContact SD-CB 4.24Å; M269-L454 HydrophobicContact CE-CB 4.13Å; M269-L454 HydrophobicContact CE-CD1 3.52Å; M269-L454 HydrophobicContact CE-CG 3.77Å; M269-L454 HydrophobicContact SD-CD1 4.24Å |
| 270 | G | 91.4 | Very high | 93.9 | Very high | 53 Ų | 53 | 55.1 Ų | 55.1 | 55% | 0.546 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 27.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114 | E266 K267 S272 | E266-G270 PolarHBondContact O-N 3.08Å; K267-G270 PolarHBondContact O-N 2.91Å; K267-G270 VanDerWaalsContact O-N 3.12Å; G270-S272 PolarHBondContact O-N 2.93Å; G270-S272 PolarHBondContact O-OG 3.15Å |
| 271 | N | 91.3 | Very high | 93.7 | Very high | 123 Ų | 123 | 55.3 Ų | 55.3 | 66% | 0.658 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 33.2 | -175.7 | -54.7 | -40.5 | 0 | 0 | 0 | 113.2 | E266 K267 M269 | E266-N271 WeakPolarHBondContact O-CA 3.15Å; E266-N271 PolarHBondContact O-N 2.81Å; E266-N271 PolarHBondContact O-OD1 2.75Å; K267-N271 WeakPolarHBondContact CA-OD1 3.41Å; K267-N271 PolarHBondContact N-OD1 3.37Å; M269-N271 VanDerWaalsContact C-N 3.26Å; M269-N271 PolarHBondContact O-N 3.2Å |
| 272 | S | 92.9 | Very high | 93.6 | Very high | 56 Ų | 56 | 52.1 Ų | 52.1 | 39% | 0.392 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -118.7 | 159.6 | 178.6 | -62.7 | 0 | 0 | 0 | 0 | 110.1 | M269 G270 | M269-S272 PolarHBondContact O-N 3.39Å; G270-S272 PolarHBondContact O-N 2.93Å; G270-S272 PolarHBondContact O-OG 3.15Å |
| 273 | P | 95 | Very high | 93.6 | Very high | 71 Ų | 71 | 52.7 Ų | 52.7 | 46% | 0.461 | 28% | 0.275 | S | S | . | . | trans | -54.8 | 145.7 | 173.5 | -25 | 34.5 | 0 | 0 | 0 | 112.1 | E413 M414 P440 | P273-E413 HydrophobicContact CB-CG 3.86Å; P273-M414 CarbonylContact C-O 3.58Å; P273-M414 WeakPolarHBondContact CA-O 3.27Å; P273-P440 VanDerWaalsContact O-CD 3.25Å; P273-P440 WeakPolarHBondContact O-CD 3.16Å; P273-P440 WeakPolarHBondContact O-CG 3.35Å | ||
| 274 | F | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 156.1 | -178.7 | 51 | -101.1 | 0 | 0 | 0 | 112.2 | M269 L276 E413 M414 V420 V437 | M269-F274 HydrophobicContact CB-CB 4.21Å; M269-F274 HydrophobicContact CB-CD1 3.69Å; M269-F274 HydrophobicContact CB-CG 4.29Å; M269-F274 HydrophobicContact CG-CB 3.87Å; M269-F274 HydrophobicContact CG-CD1 3.68Å; M269-F274 HydrophobicContact CG-CE1 4.49Å; M269-F274 HydrophobicContact CG-CG 3.92Å; M269-F274 HydrophobicContact SD-CB 4.46Å; F274-L276 HydrophobicContact CD2-CD2 4.07Å; F274-L276 HydrophobicContact CD2-CG 4.33Å; F274-L276 HydrophobicContact CE2-CD2 3.95Å; F274-L276 HydrophobicContact CE2-CG 4.21Å; F274-E413 WeakPolarHBondContact O-CA 3.4Å; F274-M414 HydrophobicContact CE2-CB 4.1Å; F274-M414 PolarHBondContact N-O 3.13Å; F274-M414 PolarHBondContact O-N 2.85Å; F274-V420 HydrophobicContact CE2-CG2 3.61Å; F274-V420 HydrophobicContact CZ-CG2 3.7Å; F274-V437 HydrophobicContact CB-CG1 4.13Å; F274-V437 HydrophobicContact CD2-CG1 3.32Å; F274-V437 HydrophobicContact CE2-CG1 3.84Å; F274-V437 HydrophobicContact CG-CG1 3.76Å |
| 275 | Y | 98.1 | Very high | 94.2 | Very high | 19 Ų | 19 | 41.8 Ų | 41.8 | 8% | 0.075 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 132.8 | 175 | -66.1 | -47 | 0 | 0 | 0 | 111.6 | L388 K389 T412 E413 V437 K438 P440 | Y275-L388 HydrophobicContact CD2-CD2 3.92Å; Y275-L388 HydrophobicContact CD2-CG 4.26Å; Y275-L388 HydrophobicContact CE2-CG 4.43Å; Y275-K389 HydrophobicContact CE2-CB 4.42Å; Y275-K389 WeakPolarHBondContact OH-CG 3.37Å; Y275-T412 CarbonylContact C-O 3.59Å; Y275-T412 WeakPolarHBondContact CA-O 3.5Å; Y275-E413 HydrophobicContact CD1-CB 4.1Å; Y275-E413 HydrophobicContact CE1-CB 3.98Å; Y275-E413 HydrophobicContact CE1-CG 4.28Å; Y275-V437 CarbonylContact O-C 3.56Å; Y275-V437 WeakPolarHBondContact O-CA 2.93Å; Y275-K438 PolarHBondContact N-O 2.97Å; Y275-K438 PolarHBondContact O-N 3.36Å; Y275-P440 HydrophobicContact CD2-CB 4.04Å; Y275-P440 HydrophobicContact CD2-CG 3.85Å; Y275-P440 HydrophobicContact CE1-CG 4.47Å; Y275-P440 HydrophobicContact CE2-CB 3.52Å; Y275-P440 HydrophobicContact CE2-CG 3.75Å; Y275-P440 HydrophobicContact CG-CG 4.27Å |
| 276 | L | 97.6 | Very high | 94.4 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 135.5 | 164.9 | -64.1 | -175.4 | 0 | 0 | 0 | 110.3 | F274 K411 T412 M414 V420 A423 M436 V437 | F274-L276 HydrophobicContact CD2-CD2 4.07Å; F274-L276 HydrophobicContact CD2-CG 4.33Å; F274-L276 HydrophobicContact CE2-CD2 3.95Å; F274-L276 HydrophobicContact CE2-CG 4.21Å; L276-K411 WeakPolarHBondContact O-CA 3.45Å; L276-T412 PolarHBondContact N-O 3.37Å; L276-T412 PolarHBondContact O-N 3.33Å; L276-T412 VanDerWaalsContact O-N 3.08Å; L276-M414 HydrophobicContact CD1-CB 4.1Å; L276-M414 HydrophobicContact CD1-CG 3.64Å; L276-M414 HydrophobicContact CG-CB 4.34Å; L276-M414 HydrophobicContact CG-CG 4.04Å; L276-V420 HydrophobicContact CD2-CG2 4.23Å; L276-A423 HydrophobicContact CD1-CB 3.7Å; L276-M436 WeakPolarHBondContact CA-O 3.36Å; L276-V437 HydrophobicContact CD2-CB 4.14Å; L276-V437 HydrophobicContact CD2-CG1 3.85Å; L276-V437 HydrophobicContact CD2-CG2 3.71Å |
| 277 | E | 96.8 | Very high | 94.6 | Very high | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 147 | 173.4 | -43.1 | 180 | -174.3 | 0 | 0 | 109.2 | K279 V409 K411 I435 M436 K438 | E277-K279 PolarHBondContact O-N 3.12Å; E277-V409 HydrophobicContact CB-CG1 4.13Å; E277-K411 VanDerWaalsContact CD-CE 3.5Å; E277-K411 HydrophobicContact CG-CB 4.28Å; E277-K411 HydrophobicContact CG-CD 4.07Å; E277-K411 HydrophobicContact CG-CG 3.82Å; E277-K411 WeakPolarHBondContact OE1-CD 3.16Å; E277-K411 WeakPolarHBondContact OE1-CE 3.34Å; E277-K411 IonicContact OE1-NZ 3.37Å; E277-K411 PolarHBondContact OE1-NZ 2.85Å; E277-I435 WeakPolarHBondContact O-CA 3.39Å; E277-M436 HydrophobicContact CB-CB 4.24Å; E277-M436 PolarHBondContact N-O 2.99Å; E277-M436 PolarHBondContact O-N 3.39Å; E277-K438 WeakPolarHBondContact OE1-CD 3.47Å; E277-K438 WeakPolarHBondContact OE1-CE 3.32Å; E277-K438 IonicContact OE1-NZ 2.67Å; E277-K438 PolarHBondContact OE1-NZ 3.42Å; E277-K438 WeakPolarHBondContact OE2-CE 2.91Å; E277-K438 IonicContact OE2-NZ 2.85Å; E277-K438 PolarHBondContact OE2-NZ 2.93Å |
| 278 | T | 95 | Very high | 94.8 | Very high | 46 Ų | 46 | 30.5 Ų | 30.5 | 28% | 0.282 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 134 | 167.6 | -68.3 | 0 | 0 | 0 | 0 | 110.1 | L280 E432 | T278-L280 HydrophobicContact CG2-CD2 3.92Å; T278-L280 HydrophobicContact CG2-CG 4.45Å; T278-L280 PolarHBondContact O-N 3.08Å; T278-E432 HydrophobicContact CG2-CB 4.23Å; T278-E432 HydrophobicContact CG2-CG 4.08Å; T278-E432 WeakPolarHBondContact CG2-OE1 3.36Å; T278-E432 WeakPolarHBondContact CG2-OE2 3.18Å; T278-E432 PolarHBondContact OG1-OE1 3.14Å; T278-E432 PolarHBondContact OG1-OE2 3.31Å; T278-E432 VanDerWaalsContact OG1-OE2 3.05Å |
| 279 | K | 96.2 | Very high | 95.2 | Very high | 36 Ų | 36 | 26.7 Ų | 26.7 | 16% | 0.157 | 16% | 0.159 | C | C | . | . | trans | -82.3 | 102.6 | 168.9 | -168.9 | -175.7 | -175.8 | -58.2 | 0 | 109.5 | E277 E433 G434 M436 K457 | E277-K279 PolarHBondContact O-N 3.12Å; K279-E433 HydrophobicContact CB-CB 4.42Å; K279-E433 HydrophobicContact CD-CB 4.4Å; K279-E433 HydrophobicContact CG-CB 4.38Å; K279-E433 IonicContact NZ-OE1 3.6Å; K279-E433 PolarHBondContact NZ-OE1 2.77Å; K279-E433 IonicContact NZ-OE2 3.69Å; K279-E433 PolarHBondContact NZ-OE2 2.97Å; K279-E433 VanDerWaalsContact O-CB 3.25Å; K279-E433 WeakPolarHBondContact O-CB 3.42Å; K279-G434 VanDerWaalsContact CB-C 3.46Å; K279-G434 WeakPolarHBondContact CB-O 3.37Å; K279-G434 PolarHBondContact N-O 3.4Å; K279-M436 HydrophobicContact CB-CG 3.96Å; K279-M436 HydrophobicContact CB-SD 4.21Å; K279-M436 HydrophobicContact CD-SD 4.03Å; K279-M436 HydrophobicContact CG-CG 4.1Å; K279-M436 HydrophobicContact CG-SD 3.79Å; K279-K457 HydrophobicContact CD-CG 4.38Å | ||
| 280 | L | 92.5 | Very high | 95.4 | Very high | 30 Ų | 30 | 29.1 Ų | 29.1 | 16% | 0.157 | 17% | 0.172 | C | C | . | . | trans | -72.9 | 138 | 177.9 | -59.2 | 170.3 | 0 | 0 | 0 | 111.9 | T278 G282 E337 M339 C371 V409 | T278-L280 HydrophobicContact CG2-CD2 3.92Å; T278-L280 HydrophobicContact CG2-CG 4.45Å; T278-L280 PolarHBondContact O-N 3.08Å; L280-G282 PolarHBondContact O-N 2.83Å; L280-E337 HydrophobicContact CB-CB 4.12Å; L280-E337 HydrophobicContact CB-CG 4.09Å; L280-E337 HydrophobicContact CD1-CB 4.18Å; L280-M339 HydrophobicContact CB-CE 4.39Å; L280-M339 HydrophobicContact CB-SD 3.86Å; L280-C371 HydrophobicContact CD1-CB 3.33Å; L280-V409 HydrophobicContact CD1-CG2 3.7Å | ||
| 281 | D | 89.1 | Confident | 95.6 | Very high | 18 Ų | 18 | 27.8 Ų | 27.8 | 10% | 0.096 | 16% | 0.159 | C | C | . | . | trans | -101.1 | 65 | -179.9 | -176 | 27.1 | 0 | 0 | 0 | 111.5 | E433 R583 | D281-E433 WeakPolarHBondContact CA-OE2 3.5Å; D281-E433 HydrophobicContact CB-CB 4.09Å; D281-E433 HydrophobicContact CB-CG 4.19Å; D281-R583 IonicContact OD1-CZ 3.8Å; D281-R583 IonicContact OD1-NH1 3.54Å; D281-R583 IonicContact OD1-NH2 2.85Å; D281-R583 PolarHBondContact OD1-NH2 3.43Å; D281-R583 IonicContact OD2-CZ 2.69Å; D281-R583 IonicContact OD2-NH1 3.84Å; D281-R583 PolarHBondContact OD2-NH1 2.96Å; D281-R583 IonicContact OD2-NH2 2.67Å; D281-R583 PolarHBondContact OD2-NH2 3.31Å; D281-R583 VanDerWaalsContact OD2-NH2 3.16Å | ||
| 282 | G | 90.9 | Very high | 95.9 | Very high | 7 Ų | 7 | 26.7 Ų | 26.7 | 7% | 0.072 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -122.7 | -138.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L280 M338 M339 | L280-G282 PolarHBondContact O-N 2.83Å; G282-M338 CarbonylContact C-O 3.56Å; G282-M338 VanDerWaalsContact CA-O 3.27Å; G282-M338 WeakPolarHBondContact CA-O 3.32Å; G282-M339 WeakPolarHBondContact CA-SD 3.24Å |
| 283 | E | 91.9 | Very high | 96.2 | Very high | 26 Ų | 26 | 27.7 Ų | 27.7 | 12% | 0.121 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 119.9 | 172.8 | -59.9 | -152.4 | 139 | 0 | 0 | 112.9 | I285 E337 M338 K351 I357 K358 | E283-I285 WeakPolarHBondContact O-CG1 3.5Å; E283-I285 PolarHBondContact O-N 3.15Å; E283-I285 VanDerWaalsContact O-N 3.16Å; E283-E337 WeakPolarHBondContact CA-OE1 3.28Å; E283-E337 PolarHBondContact N-OE1 3.31Å; E283-M338 HydrophobicContact CB-CB 4.48Å; E283-M338 PolarHBondContact N-O 3.15Å; E283-M338 WeakPolarHBondContact O-CB 3.34Å; E283-M338 PolarHBondContact O-N 3.19Å; E283-K351 IonicContact OE1-NZ 2.67Å; E283-K351 PolarHBondContact OE1-NZ 3.18Å; E283-I357 HydrophobicContact CG-CD1 4.42Å; E283-K358 WeakPolarHBondContact OE1-CE 3.36Å; E283-K358 WeakPolarHBondContact OE2-CD 3.4Å; E283-K358 WeakPolarHBondContact OE2-CE 3.16Å; E283-K358 WeakPolarHBondContact OE2-CG 3.12Å; E283-K358 IonicContact OE2-NZ 3.09Å |
| 284 | R | 96.8 | Very high | 96.4 | Very high | 41 Ų | 41 | 24.4 Ų | 24.4 | 16% | 0.155 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 117.6 | 173.6 | -171.1 | 60.5 | 160.1 | -132.6 | 4.4 | 112.7 | P254 R299 D335 G336 E337 F373 W453 | P254-R284 HydrophobicContact CB-CG 4.37Å; P254-R284 HydrophobicContact CG-CG 4.24Å; R284-R299 HydrophobicContact CB-CB 4.15Å; R284-R299 HydrophobicContact CG-CB 4.36Å; R284-R299 PolarHBondContact O-N 3.43Å; R284-D335 WeakPolarHBondContact CD-OD1 3.32Å; R284-D335 IonicContact CZ-OD1 3.15Å; R284-D335 IonicContact CZ-OD2 3.15Å; R284-D335 IonicContact NE-OD1 2.73Å; R284-D335 PolarHBondContact NE-OD1 2.88Å; R284-D335 IonicContact NE-OD2 3.91Å; R284-D335 VanDerWaalsContact NH2-CG 3.26Å; R284-D335 IonicContact NH2-OD1 3.46Å; R284-D335 PolarHBondContact NH2-OD1 3.46Å; R284-D335 IonicContact NH2-OD2 3.41Å; R284-D335 PolarHBondContact NH2-OD2 2.87Å; R284-G336 VanDerWaalsContact CD-O 3.32Å; R284-G336 WeakPolarHBondContact CD-O 3.41Å; R284-E337 WeakPolarHBondContact CA-OE2 3.24Å; R284-E337 WeakPolarHBondContact CD-OE2 3.37Å; R284-E337 VanDerWaalsContact N-CD 3.28Å; R284-E337 PolarHBondContact N-OE1 3.25Å; R284-E337 PolarHBondContact N-OE2 3.03Å; R284-E337 IonicContact NH1-OE2 3.2Å; R284-F373 VanDerWaalsContact NE-CZ 3.32Å; R284-W453 VanDerWaalsContact NH2-CZ3 3.32Å |
| 285 | I | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 134.2 | 179.1 | -66.5 | -64 | 0 | 0 | 0 | 109.6 | E283 Y296 F297 F308 G336 M338 F370 | E283-I285 WeakPolarHBondContact O-CG1 3.5Å; E283-I285 PolarHBondContact O-N 3.15Å; E283-I285 VanDerWaalsContact O-N 3.16Å; I285-Y296 HydrophobicContact CG2-CD1 3.82Å; I285-F297 CarbonylContact C-O 3.55Å; I285-F297 WeakPolarHBondContact CA-O 3.37Å; I285-F308 HydrophobicContact CD1-CE2 3.78Å; I285-F308 HydrophobicContact CD1-CZ 4.39Å; I285-F308 HydrophobicContact CG1-CE2 4.13Å; I285-F308 HydrophobicContact CG1-CZ 4.46Å; I285-G336 PolarHBondContact N-O 3.25Å; I285-G336 PolarHBondContact O-N 2.96Å; I285-M338 HydrophobicContact CB-CE 4.22Å; I285-M338 HydrophobicContact CG1-CB 3.82Å; I285-M338 HydrophobicContact CG1-CE 4.12Å; I285-M338 HydrophobicContact CG2-CE 4.01Å; I285-F370 HydrophobicContact CB-CE2 4.03Å; I285-F370 HydrophobicContact CG2-CE2 4.22Å; I285-F370 WeakPolarHBondContact O-CE2 3.35Å; I285-F370 WeakPolarHBondContact O-CZ 3.05Å |
| 286 | Q | 98 | Very high | 96.4 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 130.3 | 163.2 | 53.1 | 177.8 | 91.2 | 0 | 0 | 109.3 | F252 H288 Y296 F297 L334 | F252-Q286 HydrophobicContact CE1-CB 4.01Å; F252-Q286 HydrophobicContact CE1-CG 4.4Å; F252-Q286 HydrophobicContact CZ-CB 3.99Å; F252-Q286 PolarHBondContact O-OE1 2.66Å; Q286-H288 PolarHBondContact NE2-NE2 3.39Å; Q286-Y296 WeakPolarHBondContact O-CA 3.21Å; Q286-F297 HydrophobicContact CG-CB 3.52Å; Q286-F297 HydrophobicContact CG-CD2 4.01Å; Q286-F297 HydrophobicContact CG-CG 4.26Å; Q286-F297 VanDerWaalsContact CG-O 3.26Å; Q286-F297 WeakPolarHBondContact CG-O 3.26Å; Q286-F297 PolarHBondContact N-O 3.12Å; Q286-F297 VanDerWaalsContact NE2-CD2 3.35Å; Q286-F297 PolarHBondContact O-N 3.29Å; Q286-L334 CarbonylContact C-O 3.48Å; Q286-L334 VanDerWaalsContact CA-O 3.29Å; Q286-L334 WeakPolarHBondContact CA-O 3.46Å |
| 287 | L | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 127.3 | 175.1 | 173.3 | 94.4 | 0 | 0 | 0 | 108.6 | Y294 Y296 I321 F325 I333 L334 F370 | L287-Y294 HydrophobicContact CD1-CD1 3.92Å; L287-Y296 HydrophobicContact CB-CE1 4.49Å; L287-Y296 HydrophobicContact CD1-CD1 3.81Å; L287-Y296 HydrophobicContact CD1-CE1 3.08Å; L287-Y296 HydrophobicContact CD1-CE2 3.93Å; L287-Y296 WeakPolarHBondContact CD1-OH 3.43Å; L287-Y296 HydrophobicContact CG-CE1 4.37Å; L287-I321 HydrophobicContact CD1-CD1 4.47Å; L287-F325 HydrophobicContact CD2-CE1 4.5Å; L287-F325 HydrophobicContact CD2-CZ 3.82Å; L287-I333 CarbonylContact O-C 3.58Å; L287-I333 VanDerWaalsContact O-CA 3.31Å; L287-I333 WeakPolarHBondContact O-CA 3.31Å; L287-L334 HydrophobicContact CB-CB 4.21Å; L287-L334 HydrophobicContact CD2-CB 4.27Å; L287-L334 HydrophobicContact CD2-CD1 3.71Å; L287-L334 HydrophobicContact CD2-CG 4.06Å; L287-L334 PolarHBondContact N-O 3.35Å; L287-L334 PolarHBondContact O-N 2.93Å; L287-F370 HydrophobicContact CB-CE1 3.65Å; L287-F370 HydrophobicContact CB-CZ 4.04Å; L287-F370 HydrophobicContact CD2-CE1 4.27Å; L287-F370 HydrophobicContact CG-CE1 4.46Å |
| 288 | H | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 129.4 | 170.3 | -67.5 | -125.3 | 0 | 0 | 0 | 107.8 | L248 F249 S250 F252 Q286 Y294 K295 F297 | L248-H288 HydrophobicContact CD1-CB 4.2Å; F249-H288 HydrophobicContact CD1-CB 3.62Å; F249-H288 HydrophobicContact CE1-CB 3.88Å; F249-H288 PolarHBondContact N-ND1 2.75Å; S250-H288 PolarHBondContact O-CE1 3.37Å; F252-H288 AromaticContact CE1-NE2 3.82Å; Q286-H288 PolarHBondContact NE2-NE2 3.39Å; H288-Y294 CarbonylContact O-C 3.46Å; H288-Y294 VanDerWaalsContact O-CA 3.31Å; H288-Y294 WeakPolarHBondContact O-CA 3.27Å; H288-K295 HydrophobicContact CB-CB 4.35Å; H288-K295 PolarHBondContact N-O 3.26Å; H288-K295 PolarHBondContact O-N 3.42Å; H288-F297 AromaticContact CD2-CD2 3.86Å; H288-F297 AromaticContact CD2-CE2 3.93Å |
| 289 | K | 98.5 | Very high | 96.4 | Very high | 10 Ų | 10 | 30.6 Ų | 30.6 | 4% | 0.043 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 137.6 | 178.8 | 176.5 | -168.9 | 179.7 | -48.6 | 0 | 109.7 | G291 V293 Y294 F325 V330 N331 C332 | K289-G291 WeakPolarHBondContact CE-O 3.41Å; K289-G291 PolarHBondContact NZ-O 2.92Å; K289-V293 CarbonylContact C-O 3.54Å; K289-V293 WeakPolarHBondContact CA-O 3.41Å; K289-Y294 HydrophobicContact CB-CD1 4Å; K289-Y294 HydrophobicContact CB-CE1 3.83Å; K289-Y294 HydrophobicContact CD-CE1 3.8Å; K289-Y294 WeakPolarHBondContact CE-OH 3.35Å; K289-Y294 HydrophobicContact CG-CD1 4.11Å; K289-Y294 HydrophobicContact CG-CE1 3.58Å; K289-Y294 HydrophobicContact CG-CE2 4.33Å; K289-F325 HydrophobicContact CD-CD1 4.03Å; K289-F325 HydrophobicContact CD-CD2 4.06Å; K289-F325 HydrophobicContact CD-CE1 4.08Å; K289-F325 HydrophobicContact CD-CE2 4.11Å; K289-F325 HydrophobicContact CD-CG 4.03Å; K289-F325 HydrophobicContact CD-CZ 4.13Å; K289-V330 PolarHBondContact NZ-O 3.18Å; K289-N331 CarbonylContact O-C 3.52Å; K289-N331 WeakPolarHBondContact O-CA 3.37Å; K289-N331 VanDerWaalsContact O-CB 3.24Å; K289-N331 WeakPolarHBondContact O-CB 3.45Å; K289-C332 PolarHBondContact N-O 2.93Å; K289-C332 PolarHBondContact O-N 2.92Å |
| 290 | D | 98.4 | Very high | 96.1 | Very high | 60 Ų | 60 | 33.2 Ų | 33.2 | 32% | 0.321 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 105.2 | 163.9 | -163.1 | 2.6 | 0 | 0 | 0 | 109.8 | L248 F249 D292 V293 N331 | L248-D290 HydrophobicContact CD2-CB 3.99Å; F249-D290 HydrophobicContact CE2-CB 3.63Å; F249-D290 HydrophobicContact CZ-CB 3.42Å; F249-D290 VanDerWaalsContact CZ-CB 3.42Å; D290-D292 PolarHBondContact O-N 2.79Å; D290-V293 PolarHBondContact N-O 2.85Å; D290-V293 PolarHBondContact O-N 2.87Å; D290-N331 HydrophobicContact CB-CB 4.32Å |
| 291 | G | 96.9 | Very high | 96.1 | Very high | 26 Ų | 26 | 32.2 Ų | 32.2 | 27% | 0.268 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | -117.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111 | K289 V330 | K289-G291 WeakPolarHBondContact CE-O 3.41Å; K289-G291 PolarHBondContact NZ-O 2.92Å; G291-V330 PolarHBondContact N-O 3.44Å |
| 292 | D | 97.7 | Very high | 96.3 | Very high | 99 Ų | 99 | 36.1 Ų | 36.1 | 53% | 0.529 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -0.5 | -179.8 | -63.7 | -6 | 0 | 0 | 0 | 113.1 | D290 Y294 S311 P312 H322 | D290-D292 PolarHBondContact O-N 2.79Å; D292-Y294 WeakPolarHBondContact O-CD2 3.36Å; D292-S311 WeakPolarHBondContact O-CA 3.46Å; D292-P312 HydrophobicContact CB-CG 4.14Å; D292-P312 WeakPolarHBondContact O-CD 3.48Å; D292-H322 IonicContact OD1-CE1 3.69Å; D292-H322 PolarHBondContact OD1-CE1 3.4Å; D292-H322 IonicContact OD1-NE2 2.84Å |
| 293 | V | 98.4 | Very high | 96.4 | Very high | 77 Ų | 77 | 40.5 Ų | 40.5 | 47% | 0.467 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 124.1 | -179.2 | -177.1 | 0 | 0 | 0 | 0 | 110 | F249 K289 D290 | F249-V293 HydrophobicContact CE1-CG1 4.18Å; F249-V293 HydrophobicContact CE2-CG1 4.27Å; F249-V293 HydrophobicContact CZ-CB 4.01Å; F249-V293 HydrophobicContact CZ-CG1 3.7Å; K289-V293 CarbonylContact C-O 3.54Å; K289-V293 WeakPolarHBondContact CA-O 3.41Å; D290-V293 PolarHBondContact N-O 2.85Å; D290-V293 PolarHBondContact O-N 2.87Å |
| 294 | Y | 98.7 | Very high | 96.5 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 143 | 178.9 | -68.2 | -100 | 0 | 0 | 0 | 111.1 | L287 H288 K289 D292 T305 G310 P312 T318 H322 F325 | L287-Y294 HydrophobicContact CD1-CD1 3.92Å; H288-Y294 CarbonylContact O-C 3.46Å; H288-Y294 VanDerWaalsContact O-CA 3.31Å; H288-Y294 WeakPolarHBondContact O-CA 3.27Å; K289-Y294 HydrophobicContact CB-CD1 4Å; K289-Y294 HydrophobicContact CB-CE1 3.83Å; K289-Y294 HydrophobicContact CD-CE1 3.8Å; K289-Y294 WeakPolarHBondContact CE-OH 3.35Å; K289-Y294 HydrophobicContact CG-CD1 4.11Å; K289-Y294 HydrophobicContact CG-CE1 3.58Å; K289-Y294 HydrophobicContact CG-CE2 4.33Å; D292-Y294 WeakPolarHBondContact O-CD2 3.36Å; Y294-T305 WeakPolarHBondContact O-CG2 3.32Å; Y294-G310 PolarHBondContact N-O 2.91Å; Y294-P312 HydrophobicContact CE2-CG 4.5Å; Y294-T318 HydrophobicContact CD1-CG2 4.08Å; Y294-T318 HydrophobicContact CD2-CG2 3.38Å; Y294-T318 HydrophobicContact CE1-CG2 4.24Å; Y294-T318 HydrophobicContact CE2-CG2 3.6Å; Y294-T318 HydrophobicContact CG-CG2 3.63Å; Y294-H322 AromaticContact CE2-ND1 3.74Å; Y294-H322 AromaticContact CZ-ND1 3.78Å; Y294-H322 PolarHBondContact OH-ND1 3.15Å; Y294-F325 HydrophobicContact CE1-CE2 4.08Å |
| 295 | K | 98.6 | Very high | 96.5 | Very high | 65 Ų | 65 | 40.9 Ų | 40.9 | 28% | 0.283 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 142.9 | 166.1 | -64.6 | -164.6 | -179.6 | -168.3 | 0 | 111.5 | F249 H288 F297 T305 | F249-K295 HydrophobicContact CB-CD 4.03Å; F249-K295 HydrophobicContact CD1-CB 3.91Å; F249-K295 HydrophobicContact CD1-CD 3.77Å; F249-K295 HydrophobicContact CD1-CG 3.63Å; F249-K295 HydrophobicContact CE1-CB 4.34Å; F249-K295 HydrophobicContact CE1-CG 4.04Å; F249-K295 HydrophobicContact CG-CD 4.14Å; F249-K295 HydrophobicContact CG-CG 4.45Å; H288-K295 HydrophobicContact CB-CB 4.35Å; H288-K295 PolarHBondContact N-O 3.26Å; H288-K295 PolarHBondContact O-N 3.42Å; K295-F297 HydrophobicContact CB-CE2 3.74Å; K295-F297 HydrophobicContact CB-CZ 3.86Å; K295-F297 HydrophobicContact CD-CE2 4.36Å; K295-F297 HydrophobicContact CD-CZ 3.74Å; K295-F297 HydrophobicContact CG-CZ 4.47Å; K295-T305 WeakPolarHBondContact CA-OG1 3.47Å |
| 296 | Y | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 122.6 | -177.8 | -65.3 | -100 | 0 | 0 | 0 | 109.6 | I285 Q286 L287 E303 Y304 T305 F308 G309 L317 T318 M338 | I285-Y296 HydrophobicContact CG2-CD1 3.82Å; Q286-Y296 WeakPolarHBondContact O-CA 3.21Å; L287-Y296 HydrophobicContact CB-CE1 4.49Å; L287-Y296 HydrophobicContact CD1-CD1 3.81Å; L287-Y296 HydrophobicContact CD1-CE1 3.08Å; L287-Y296 HydrophobicContact CD1-CE2 3.93Å; L287-Y296 WeakPolarHBondContact CD1-OH 3.43Å; L287-Y296 HydrophobicContact CG-CE1 4.37Å; Y296-E303 CarbonylContact O-C 3.55Å; Y296-E303 WeakPolarHBondContact O-CA 3.12Å; Y296-Y304 PolarHBondContact O-N 2.65Å; Y296-T305 PolarHBondContact N-OG1 3.41Å; Y296-F308 HydrophobicContact CD1-CB 3.72Å; Y296-F308 AromaticContact CD1-CD2 3.73Å; Y296-F308 HydrophobicContact CD1-CD2 3.73Å; Y296-F308 AromaticContact CD1-CG 3.98Å; Y296-F308 HydrophobicContact CD1-CG 3.98Å; Y296-F308 HydrophobicContact CD2-CB 3.68Å; Y296-F308 HydrophobicContact CD2-CD2 4.49Å; Y296-F308 HydrophobicContact CE1-CB 3.69Å; Y296-F308 HydrophobicContact CE1-CD2 4.44Å; Y296-F308 HydrophobicContact CE1-CG 4.24Å; Y296-F308 HydrophobicContact CE2-CB 3.69Å; Y296-F308 HydrophobicContact CG-CB 3.7Å; Y296-F308 AromaticContact CG-CD2 3.74Å; Y296-F308 HydrophobicContact CG-CD2 3.74Å; Y296-F308 HydrophobicContact CG-CG 4.14Å; Y296-G309 VanDerWaalsContact CE2-O 3.24Å; Y296-G309 WeakPolarHBondContact CE2-O 3.49Å; Y296-L317 HydrophobicContact CE1-CD2 3.87Å; Y296-T318 WeakPolarHBondContact CE2-OG1 3.47Å; Y296-T318 PolarHBondContact OH-OG1 3.19Å; Y296-M338 HydrophobicContact CD1-CE 4.4Å; Y296-M338 HydrophobicContact CE1-CE 4.39Å |
| 297 | F | 97.5 | Very high | 95.9 | Very high | 13 Ų | 13 | 52.3 Ų | 52.3 | 6% | 0.057 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 137 | 175.5 | -46.6 | -88.2 | 0 | 0 | 0 | 111.1 | A251 I285 Q286 H288 K295 F302 E303 | A251-F297 HydrophobicContact CB-CB 4.05Å; A251-F297 HydrophobicContact CB-CD1 3.67Å; A251-F297 HydrophobicContact CB-CD2 4.14Å; A251-F297 HydrophobicContact CB-CE1 4.07Å; A251-F297 HydrophobicContact CB-CE2 4.49Å; A251-F297 HydrophobicContact CB-CG 3.69Å; A251-F297 HydrophobicContact CB-CZ 4.44Å; I285-F297 CarbonylContact C-O 3.55Å; I285-F297 WeakPolarHBondContact CA-O 3.37Å; Q286-F297 HydrophobicContact CG-CB 3.52Å; Q286-F297 HydrophobicContact CG-CD2 4.01Å; Q286-F297 HydrophobicContact CG-CG 4.26Å; Q286-F297 VanDerWaalsContact CG-O 3.26Å; Q286-F297 WeakPolarHBondContact CG-O 3.26Å; Q286-F297 PolarHBondContact N-O 3.12Å; Q286-F297 VanDerWaalsContact NE2-CD2 3.35Å; Q286-F297 PolarHBondContact O-N 3.29Å; H288-F297 AromaticContact CD2-CD2 3.86Å; H288-F297 AromaticContact CD2-CE2 3.93Å; K295-F297 HydrophobicContact CB-CE2 3.74Å; K295-F297 HydrophobicContact CB-CZ 3.86Å; K295-F297 HydrophobicContact CD-CE2 4.36Å; K295-F297 HydrophobicContact CD-CZ 3.74Å; K295-F297 HydrophobicContact CG-CZ 4.47Å; F297-F302 WeakPolarHBondContact CA-O 3.39Å; F297-E303 HydrophobicContact CD1-CB 3.99Å; F297-E303 HydrophobicContact CD1-CG 4.26Å; F297-E303 HydrophobicContact CE1-CB 4.04Å; F297-E303 HydrophobicContact CE1-CG 4.05Å |
| 298 | S | 95.7 | Very high | 95.7 | Very high | 10 Ų | 10 | 52.3 Ų | 52.3 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 168 | 172.3 | 61.9 | 0 | 0 | 0 | 0 | 111.9 | N300 A301 F302 | S298-N300 PolarHBondContact O-N 2.85Å; S298-A301 WeakPolarHBondContact O-CA 3.43Å; S298-A301 PolarHBondContact O-N 2.81Å; S298-F302 PolarHBondContact N-O 2.86Å; S298-F302 WeakPolarHBondContact OG-CB 3.22Å; S298-F302 PolarHBondContact OG-N 3.09Å; S298-F302 PolarHBondContact OG-O 3.38Å; S298-F302 VanDerWaalsContact OG-O 3.1Å |
| 299 | R | 94.9 | Very high | 95.6 | Very high | 121 Ų | 121 | 52.3 Ų | 52.3 | 46% | 0.457 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.2 | -37 | 171.3 | -178.1 | 174.7 | 177 | 169.9 | -0.6 | 115.7 | P254 R284 A301 | P254-R299 WeakPolarHBondContact CD-O 3.2Å; R284-R299 HydrophobicContact CB-CB 4.15Å; R284-R299 HydrophobicContact CG-CB 4.36Å; R284-R299 PolarHBondContact O-N 3.43Å; R299-A301 VanDerWaalsContact C-N 3.3Å |
| 300 | N | 91.2 | Very high | 95.6 | Very high | 92 Ų | 92 | 52.6 Ų | 52.6 | 49% | 0.492 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 14.3 | -178.6 | -72.2 | -33.4 | 0 | 0 | 0 | 112.7 | R83 S298 F302 | R83-N300 VanDerWaalsContact CZ-O 3.26Å; R83-N300 PolarHBondContact NE-O 2.9Å; R83-N300 PolarHBondContact NH2-O 3.08Å; S298-N300 PolarHBondContact O-N 2.85Å; N300-F302 VanDerWaalsContact C-N 3.29Å; N300-F302 HydrophobicContact CB-CD2 3.82Å; N300-F302 HydrophobicContact CB-CE2 3.88Å; N300-F302 PolarHBondContact O-N 3.44Å |
| 301 | A | 92.6 | Very high | 95.5 | Very high | 8 Ų | 8 | 51.2 Ų | 51.2 | 7% | 0.066 | 26% | 0.259 | C | S | . | . | trans | 60.2 | 31.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | T225 A251 S298 R299 | T225-A301 HydrophobicContact CG2-CB 3.48Å; T225-A301 VanDerWaalsContact CG2-CB 3.48Å; A251-A301 HydrophobicContact CB-CB 3.62Å; S298-A301 WeakPolarHBondContact O-CA 3.43Å; S298-A301 PolarHBondContact O-N 2.81Å; R299-A301 VanDerWaalsContact C-N 3.3Å | ||
| 302 | F | 91.8 | Very high | 95.5 | Very high | 101 Ų | 101 | 51.3 Ų | 51.3 | 44% | 0.443 | 26% | 0.255 | S | S | . | . | trans | -86 | 135.4 | 163.8 | -66.7 | -79.8 | 0 | 0 | 0 | 109.1 | F297 S298 N300 Y304 | F297-F302 WeakPolarHBondContact CA-O 3.39Å; S298-F302 PolarHBondContact N-O 2.86Å; S298-F302 WeakPolarHBondContact OG-CB 3.22Å; S298-F302 PolarHBondContact OG-N 3.09Å; S298-F302 PolarHBondContact OG-O 3.38Å; S298-F302 VanDerWaalsContact OG-O 3.1Å; N300-F302 VanDerWaalsContact C-N 3.29Å; N300-F302 HydrophobicContact CB-CD2 3.82Å; N300-F302 HydrophobicContact CB-CE2 3.88Å; N300-F302 PolarHBondContact O-N 3.44Å; F302-Y304 HydrophobicContact CB-CD2 4.48Å; F302-Y304 HydrophobicContact CB-CE2 3.83Å; F302-Y304 WeakPolarHBondContact O-CD2 3.14Å | ||
| 303 | E | 93.3 | Very high | 95.5 | Very high | 99 Ų | 99 | 54.3 Ų | 54.3 | 46% | 0.463 | 27% | 0.27 | S | S | . | . | B | Isolated β-bridge | trans | -76.9 | 134 | 177.6 | -170.6 | 169.3 | -179.6 | 0 | 0 | 111.3 | Y296 F297 T305 | Y296-E303 CarbonylContact O-C 3.55Å; Y296-E303 WeakPolarHBondContact O-CA 3.12Å; F297-E303 HydrophobicContact CD1-CB 3.99Å; F297-E303 HydrophobicContact CD1-CG 4.26Å; F297-E303 HydrophobicContact CE1-CB 4.04Å; F297-E303 HydrophobicContact CE1-CG 4.05Å; E303-T305 WeakPolarHBondContact CG-OG1 3.32Å; E303-T305 WeakPolarHBondContact OE1-CB 3.38Å; E303-T305 PolarHBondContact OE1-OG1 3.13Å |
| 304 | Y | 94.4 | Very high | 95.3 | Very high | 60 Ų | 60 | 55.6 Ų | 55.6 | 24% | 0.235 | 27% | 0.271 | C | S | . | . | trans | -124.8 | 20.8 | 178.3 | -77.8 | -88.7 | 0 | 0 | 0 | 111.8 | Y296 F302 Q306 Q307 F308 K358 | Y296-Y304 PolarHBondContact O-N 2.65Å; F302-Y304 HydrophobicContact CB-CD2 4.48Å; F302-Y304 HydrophobicContact CB-CE2 3.83Å; F302-Y304 WeakPolarHBondContact O-CD2 3.14Å; Y304-Q306 VanDerWaalsContact C-N 3.29Å; Y304-Q306 PolarHBondContact O-N 3.47Å; Y304-Q307 WeakPolarHBondContact O-CB 3.35Å; Y304-Q307 PolarHBondContact O-N 3.5Å; Y304-F308 HydrophobicContact CG-CE2 4.32Å; Y304-F308 WeakPolarHBondContact O-CD2 3.19Å; Y304-F308 PolarHBondContact O-N 3.33Å; Y304-F308 VanDerWaalsContact O-N 3.14Å; Y304-K358 HydrophobicContact CD1-CB 4.17Å; Y304-K358 HydrophobicContact CD1-CD 4.25Å; Y304-K358 HydrophobicContact CD1-CG 4.11Å; Y304-K358 HydrophobicContact CE1-CB 3.91Å; Y304-K358 HydrophobicContact CE1-CD 3.45Å; Y304-K358 VanDerWaalsContact CE1-CD 3.45Å; Y304-K358 HydrophobicContact CE1-CG 3.79Å; Y304-K358 VanDerWaalsContact CZ-NZ 3.34Å; Y304-K358 PolarHBondContact OH-NZ 2.89Å | ||
| 305 | T | 95.6 | Very high | 95 | Very high | 15 Ų | 15 | 56.5 Ų | 56.5 | 9% | 0.092 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.1 | -40.7 | -178.4 | -51.7 | 0 | 0 | 0 | 0 | 112.3 | Y294 K295 Y296 E303 Q307 F308 G309 G310 | Y294-T305 WeakPolarHBondContact O-CG2 3.32Å; K295-T305 WeakPolarHBondContact CA-OG1 3.47Å; Y296-T305 PolarHBondContact N-OG1 3.41Å; E303-T305 WeakPolarHBondContact CG-OG1 3.32Å; E303-T305 WeakPolarHBondContact OE1-CB 3.38Å; E303-T305 PolarHBondContact OE1-OG1 3.13Å; T305-Q307 PolarHBondContact O-N 3.44Å; T305-F308 PolarHBondContact O-N 3.2Å; T305-G309 CarbonylContact O-C 3.38Å; T305-G309 VanDerWaalsContact O-C 3.29Å; T305-G309 VanDerWaalsContact O-CA 3.32Å; T305-G309 WeakPolarHBondContact O-CA 3.1Å; T305-G309 PolarHBondContact O-N 3.11Å; T305-G310 VanDerWaalsContact CG2-CA 3.42Å |
| 306 | Q | 92.9 | Very high | 94.7 | Very high | 193 Ų | 193 | 53.8 Ų | 53.8 | 90% | 0.902 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -59 | -30.5 | 176.4 | -69.5 | -176.3 | -2.7 | 0 | 0 | 113.5 | Y304 | Y304-Q306 VanDerWaalsContact C-N 3.29Å; Y304-Q306 PolarHBondContact O-N 3.47Å |
| 307 | Q | 91.3 | Very high | 94.6 | Very high | 47 Ų | 47 | 53.8 Ų | 53.8 | 22% | 0.22 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -81.5 | -49.2 | -179.9 | 176.7 | 63.7 | 29.1 | 0 | 0 | 111.4 | Y304 T305 G315 S316 K358 L360 | Y304-Q307 WeakPolarHBondContact O-CB 3.35Å; Y304-Q307 PolarHBondContact O-N 3.5Å; T305-Q307 PolarHBondContact O-N 3.44Å; Q307-G315 WeakPolarHBondContact O-CA 3.32Å; Q307-S316 PolarHBondContact O-N 2.91Å; Q307-S316 PolarHBondContact O-OG 3.24Å; Q307-K358 VanDerWaalsContact CG-O 3.26Å; Q307-K358 WeakPolarHBondContact CG-O 3.49Å; Q307-K358 PolarHBondContact OE1-O 3.2Å; Q307-K358 VanDerWaalsContact OE1-O 3.05Å; Q307-L360 PolarHBondContact NE2-O 2.57Å |
| 308 | F | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -88.5 | -18.9 | -172 | -60.7 | -55 | 0 | 0 | 0 | 113.5 | I285 Y296 Y304 T305 L317 T318 M338 T368 | I285-F308 HydrophobicContact CD1-CE2 3.78Å; I285-F308 HydrophobicContact CD1-CZ 4.39Å; I285-F308 HydrophobicContact CG1-CE2 4.13Å; I285-F308 HydrophobicContact CG1-CZ 4.46Å; Y296-F308 HydrophobicContact CD1-CB 3.72Å; Y296-F308 AromaticContact CD1-CD2 3.73Å; Y296-F308 HydrophobicContact CD1-CD2 3.73Å; Y296-F308 AromaticContact CD1-CG 3.98Å; Y296-F308 HydrophobicContact CD1-CG 3.98Å; Y296-F308 HydrophobicContact CD2-CB 3.68Å; Y296-F308 HydrophobicContact CD2-CD2 4.49Å; Y296-F308 HydrophobicContact CE1-CB 3.69Å; Y296-F308 HydrophobicContact CE1-CD2 4.44Å; Y296-F308 HydrophobicContact CE1-CG 4.24Å; Y296-F308 HydrophobicContact CE2-CB 3.69Å; Y296-F308 HydrophobicContact CG-CB 3.7Å; Y296-F308 AromaticContact CG-CD2 3.74Å; Y296-F308 HydrophobicContact CG-CD2 3.74Å; Y296-F308 HydrophobicContact CG-CG 4.14Å; Y304-F308 HydrophobicContact CG-CE2 4.32Å; Y304-F308 WeakPolarHBondContact O-CD2 3.19Å; Y304-F308 PolarHBondContact O-N 3.33Å; Y304-F308 VanDerWaalsContact O-N 3.14Å; T305-F308 PolarHBondContact O-N 3.2Å; F308-L317 HydrophobicContact CB-CB 4.36Å; F308-L317 HydrophobicContact CD1-CB 4.46Å; F308-L317 PolarHBondContact O-N 2.8Å; F308-T318 WeakPolarHBondContact O-CB 3.32Å; F308-T318 PolarHBondContact O-N 3.47Å; F308-T318 PolarHBondContact O-OG1 2.96Å; F308-M338 HydrophobicContact CD1-CE 3.98Å; F308-M338 HydrophobicContact CD2-CE 4.27Å; F308-M338 HydrophobicContact CE1-CE 3.88Å; F308-M338 HydrophobicContact CE1-CG 3.88Å; F308-M338 HydrophobicContact CE1-SD 4.27Å; F308-M338 HydrophobicContact CE2-CE 4.15Å; F308-M338 HydrophobicContact CG-CE 4.19Å; F308-M338 HydrophobicContact CZ-CE 3.96Å; F308-M338 HydrophobicContact CZ-CG 3.96Å; F308-T368 HydrophobicContact CD1-CG2 4.04Å; F308-T368 HydrophobicContact CE1-CG2 3.9Å |
| 309 | G | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | 117.2 | 126.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y296 T305 S311 E314 T318 | Y296-G309 VanDerWaalsContact CE2-O 3.24Å; Y296-G309 WeakPolarHBondContact CE2-O 3.49Å; T305-G309 CarbonylContact O-C 3.38Å; T305-G309 VanDerWaalsContact O-C 3.29Å; T305-G309 VanDerWaalsContact O-CA 3.32Å; T305-G309 WeakPolarHBondContact O-CA 3.1Å; T305-G309 PolarHBondContact O-N 3.11Å; G309-S311 VanDerWaalsContact C-N 3.34Å; G309-E314 WeakPolarHBondContact CA-O 3.29Å; G309-T318 WeakPolarHBondContact CA-OG1 3.05Å; G309-T318 PolarHBondContact O-OG1 3.07Å | ||
| 310 | G | 97.3 | Very high | 94.6 | Very high | 16 Ų | 16 | 53.4 Ų | 53.4 | 17% | 0.165 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -82.2 | -17.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y294 T305 E314 | Y294-G310 PolarHBondContact N-O 2.91Å; T305-G310 VanDerWaalsContact CG2-CA 3.42Å; G310-E314 WeakPolarHBondContact CA-OE1 3.04Å; G310-E314 PolarHBondContact N-OE1 2.84Å |
| 311 | S | 97.5 | Very high | 94.9 | Very high | 32 Ų | 32 | 49 Ų | 49 | 22% | 0.224 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -145.7 | 169.7 | -178.3 | 78.2 | 0 | 0 | 0 | 0 | 111.8 | D292 G309 L313 E314 T318 | D292-S311 WeakPolarHBondContact O-CA 3.46Å; G309-S311 VanDerWaalsContact C-N 3.34Å; S311-L313 PolarHBondContact O-N 3.42Å; S311-L313 PolarHBondContact OG-N 3.09Å; S311-E314 PolarHBondContact O-N 2.76Å; S311-T318 VanDerWaalsContact O-CG2 3.27Å; S311-T318 WeakPolarHBondContact O-CG2 3.4Å |
| 312 | P | 97.3 | Very high | 95.2 | Very high | 28 Ų | 28 | 50.6 Ų | 50.6 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -6.8 | 177.3 | -23.1 | 36.5 | 0 | 0 | 0 | 114.9 | D292 Y294 P319 H322 | D292-P312 HydrophobicContact CB-CG 4.14Å; D292-P312 WeakPolarHBondContact O-CD 3.48Å; Y294-P312 HydrophobicContact CE2-CG 4.5Å; P312-P319 VanDerWaalsContact O-CA 3.3Å; P312-P319 WeakPolarHBondContact O-CA 3.22Å; P312-P319 VanDerWaalsContact O-CB 3.31Å; P312-P319 WeakPolarHBondContact O-CB 3.42Å; P312-H322 HydrophobicContact CB-CB 3.87Å; P312-H322 HydrophobicContact CG-CB 4.09Å; P312-H322 VanDerWaalsContact CG-CE1 3.49Å; P312-H322 WeakPolarHBondContact CG-CE1 3.42Å; P312-H322 VanDerWaalsContact CG-CG 3.43Å; P312-H322 WeakPolarHBondContact CG-ND1 3.36Å |
| 313 | L | 95.9 | Very high | 95.4 | Very high | 162 Ų | 162 | 52.6 Ų | 52.6 | 85% | 0.848 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -9.4 | -174.1 | -57 | 178.6 | 0 | 0 | 0 | 113.6 | S311 | S311-L313 PolarHBondContact O-N 3.42Å; S311-L313 PolarHBondContact OG-N 3.09Å |
| 314 | E | 94.1 | Very high | 95.6 | Very high | 103 Ų | 103 | 48.8 Ų | 48.8 | 48% | 0.481 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -142.1 | 158.3 | -172.3 | 60.5 | 172.5 | -157.7 | 0 | 0 | 113 | G309 G310 S311 P319 | G309-E314 WeakPolarHBondContact CA-O 3.29Å; G310-E314 WeakPolarHBondContact CA-OE1 3.04Å; G310-E314 PolarHBondContact N-OE1 2.84Å; S311-E314 PolarHBondContact O-N 2.76Å; E314-P319 WeakPolarHBondContact O-CD 3.35Å; E314-P319 VanDerWaalsContact O-CG 3.26Å; E314-P319 WeakPolarHBondContact O-CG 3.34Å |
| 315 | G | 93.1 | Very high | 95.8 | Very high | 22 Ų | 22 | 46.8 Ų | 46.8 | 23% | 0.227 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 90.2 | 166.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q307 L317 P319 | Q307-G315 WeakPolarHBondContact O-CA 3.32Å; G315-L317 VanDerWaalsContact C-N 3.28Å; G315-L317 PolarHBondContact O-N 3.42Å; G315-P319 WeakPolarHBondContact O-CD 3.19Å; G315-P319 WeakPolarHBondContact O-CG 3.44Å |
| 316 | S | 92.5 | Very high | 95.8 | Very high | 8 Ų | 8 | 50.2 Ų | 50.2 | 6% | 0.056 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -77.5 | -7 | -169.2 | 73.2 | 0 | 0 | 0 | 0 | 115.1 | Q307 T368 | Q307-S316 PolarHBondContact O-N 2.91Å; Q307-S316 PolarHBondContact O-OG 3.24Å; S316-T368 PolarHBondContact OG-OG1 2.98Å; S316-T368 VanDerWaalsContact OG-OG1 3.08Å |
| 317 | L | 95.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -134.5 | -53.4 | -174 | -178 | 66.7 | 0 | 0 | 0 | 113.5 | Y296 F308 G315 Y320 I321 M338 T368 F370 R405 | Y296-L317 HydrophobicContact CE1-CD2 3.87Å; F308-L317 HydrophobicContact CB-CB 4.36Å; F308-L317 HydrophobicContact CD1-CB 4.46Å; F308-L317 PolarHBondContact O-N 2.8Å; G315-L317 VanDerWaalsContact C-N 3.28Å; G315-L317 PolarHBondContact O-N 3.42Å; L317-Y320 WeakPolarHBondContact O-CA 3.46Å; L317-Y320 WeakPolarHBondContact O-CB 3.3Å; L317-Y320 PolarHBondContact O-N 2.78Å; L317-I321 HydrophobicContact CD1-CG2 3.6Å; L317-I321 HydrophobicContact CD2-CD1 4.08Å; L317-I321 HydrophobicContact CG-CD1 3.92Å; L317-I321 HydrophobicContact CG-CG1 4.21Å; L317-I321 HydrophobicContact CG-CG2 4.05Å; L317-I321 PolarHBondContact O-N 3.44Å; L317-M338 HydrophobicContact CD2-CE 3.57Å; L317-M338 HydrophobicContact CD2-SD 3.89Å; L317-T368 HydrophobicContact CB-CG2 4.15Å; L317-T368 HydrophobicContact CD1-CG2 4.26Å; L317-T368 HydrophobicContact CD2-CG2 4.4Å; L317-F370 HydrophobicContact CD2-CB 3.82Å; L317-F370 HydrophobicContact CD2-CG 4.44Å; L317-R405 WeakPolarHBondContact CD1-O 3.34Å |
| 318 | T | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -49.8 | -45.4 | -172 | -51.8 | 0 | 0 | 0 | 0 | 113.9 | Y294 Y296 F308 G309 S311 Y320 I321 H322 | Y294-T318 HydrophobicContact CD1-CG2 4.08Å; Y294-T318 HydrophobicContact CD2-CG2 3.38Å; Y294-T318 HydrophobicContact CE1-CG2 4.24Å; Y294-T318 HydrophobicContact CE2-CG2 3.6Å; Y294-T318 HydrophobicContact CG-CG2 3.63Å; Y296-T318 WeakPolarHBondContact CE2-OG1 3.47Å; Y296-T318 PolarHBondContact OH-OG1 3.19Å; F308-T318 WeakPolarHBondContact O-CB 3.32Å; F308-T318 PolarHBondContact O-N 3.47Å; F308-T318 PolarHBondContact O-OG1 2.96Å; G309-T318 WeakPolarHBondContact CA-OG1 3.05Å; G309-T318 PolarHBondContact O-OG1 3.07Å; S311-T318 VanDerWaalsContact O-CG2 3.27Å; S311-T318 WeakPolarHBondContact O-CG2 3.4Å; T318-Y320 PolarHBondContact O-N 3.16Å; T318-Y320 VanDerWaalsContact O-N 3.16Å; T318-I321 PolarHBondContact O-N 2.97Å; T318-I321 VanDerWaalsContact O-N 3.12Å; T318-H322 WeakPolarHBondContact O-CB 3.33Å; T318-H322 PolarHBondContact O-N 2.83Å |
| 319 | P | 96.3 | Very high | 96.1 | Very high | 42 Ų | 42 | 50.2 Ų | 50.2 | 27% | 0.273 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61 | -29.3 | 180 | -24.4 | 37.3 | 0 | 0 | 0 | 113 | P312 E314 G315 | P312-P319 VanDerWaalsContact O-CA 3.3Å; P312-P319 WeakPolarHBondContact O-CA 3.22Å; P312-P319 VanDerWaalsContact O-CB 3.31Å; P312-P319 WeakPolarHBondContact O-CB 3.42Å; E314-P319 WeakPolarHBondContact O-CD 3.35Å; E314-P319 VanDerWaalsContact O-CG 3.26Å; E314-P319 WeakPolarHBondContact O-CG 3.34Å; G315-P319 WeakPolarHBondContact O-CD 3.19Å; G315-P319 WeakPolarHBondContact O-CG 3.44Å |
| 320 | Y | 95.9 | Very high | 96.1 | Very high | 93 Ų | 93 | 54.1 Ų | 54.1 | 37% | 0.365 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -90.3 | -11.9 | -177.1 | -51.6 | -79 | 0 | 0 | 0 | 113.5 | L317 T318 D362 R405 | L317-Y320 WeakPolarHBondContact O-CA 3.46Å; L317-Y320 WeakPolarHBondContact O-CB 3.3Å; L317-Y320 PolarHBondContact O-N 2.78Å; T318-Y320 PolarHBondContact O-N 3.16Å; T318-Y320 VanDerWaalsContact O-N 3.16Å; Y320-D362 PolarHBondContact OH-OD1 3.43Å; Y320-R405 VanDerWaalsContact CE2-NH1 3.31Å; Y320-R405 VanDerWaalsContact CG-CZ 3.45Å |
| 321 | I | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -118 | -12.7 | -177.6 | 68.8 | 163.1 | 0 | 0 | 0 | 113.6 | L287 L317 T318 N323 V324 F325 R405 I406 | L287-I321 HydrophobicContact CD1-CD1 4.47Å; L317-I321 HydrophobicContact CD1-CG2 3.6Å; L317-I321 HydrophobicContact CD2-CD1 4.08Å; L317-I321 HydrophobicContact CG-CD1 3.92Å; L317-I321 HydrophobicContact CG-CG1 4.21Å; L317-I321 HydrophobicContact CG-CG2 4.05Å; L317-I321 PolarHBondContact O-N 3.44Å; T318-I321 PolarHBondContact O-N 2.97Å; T318-I321 VanDerWaalsContact O-N 3.12Å; I321-N323 PolarHBondContact O-N 2.87Å; I321-V324 HydrophobicContact CB-CG2 4.23Å; I321-V324 WeakPolarHBondContact O-CG2 3.24Å; I321-V324 PolarHBondContact O-N 3.03Å; I321-V324 VanDerWaalsContact O-N 3.17Å; I321-F325 HydrophobicContact CD1-CE2 4.26Å; I321-F325 HydrophobicContact CG1-CE2 4.42Å; I321-F325 WeakPolarHBondContact O-CD2 3.47Å; I321-F325 WeakPolarHBondContact O-CE2 3.31Å; I321-R405 HydrophobicContact CG2-CB 4.28Å; I321-I406 HydrophobicContact CB-CG2 4.09Å; I321-I406 HydrophobicContact CD1-CD1 4.24Å; I321-I406 HydrophobicContact CG2-CB 3.81Å; I321-I406 HydrophobicContact CG2-CG2 3.66Å |
| 322 | H | 97.6 | Very high | 96.1 | Very high | 41 Ų | 41 | 52.2 Ų | 52.2 | 19% | 0.19 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -56.5 | -48.3 | -175.5 | 177.4 | 67.4 | 0 | 0 | 0 | 112.9 | D292 Y294 P312 T318 V324 | D292-H322 IonicContact OD1-CE1 3.69Å; D292-H322 PolarHBondContact OD1-CE1 3.4Å; D292-H322 IonicContact OD1-NE2 2.84Å; Y294-H322 AromaticContact CE2-ND1 3.74Å; Y294-H322 AromaticContact CZ-ND1 3.78Å; Y294-H322 PolarHBondContact OH-ND1 3.15Å; P312-H322 HydrophobicContact CB-CB 3.87Å; P312-H322 HydrophobicContact CG-CB 4.09Å; P312-H322 VanDerWaalsContact CG-CE1 3.49Å; P312-H322 WeakPolarHBondContact CG-CE1 3.42Å; P312-H322 VanDerWaalsContact CG-CG 3.43Å; P312-H322 WeakPolarHBondContact CG-ND1 3.36Å; T318-H322 WeakPolarHBondContact O-CB 3.33Å; T318-H322 PolarHBondContact O-N 2.83Å; H322-V324 PolarHBondContact O-N 2.73Å |
| 323 | N | 96.8 | Very high | 96.2 | Very high | 143 Ų | 143 | 50.9 Ų | 50.9 | 77% | 0.765 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -77.1 | -0.7 | -176.7 | -65.2 | -32.5 | 0 | 0 | 0 | 114.3 | I321 | I321-N323 PolarHBondContact O-N 2.87Š|
| 324 | V | 97.1 | Very high | 96.4 | Very high | 19 Ų | 19 | 43.2 Ų | 43.2 | 12% | 0.115 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -91.9 | -18.5 | -177.5 | -48 | 0 | 0 | 0 | 0 | 112.9 | I321 H322 F399 T400 V402 I406 | I321-V324 HydrophobicContact CB-CG2 4.23Å; I321-V324 WeakPolarHBondContact O-CG2 3.24Å; I321-V324 PolarHBondContact O-N 3.03Å; I321-V324 VanDerWaalsContact O-N 3.17Å; H322-V324 PolarHBondContact O-N 2.73Å; V324-F399 HydrophobicContact CG2-CB 4.09Å; V324-F399 HydrophobicContact CG2-CD2 4.43Å; V324-F399 CarbonylContact O-C 3.54Å; V324-F399 VanDerWaalsContact O-CA 3.31Å; V324-F399 WeakPolarHBondContact O-CA 3.33Å; V324-F399 WeakPolarHBondContact O-CB 3.44Å; V324-T400 PolarHBondContact O-N 2.83Å; V324-V402 HydrophobicContact CB-CG2 4.36Å; V324-V402 HydrophobicContact CG1-CG2 3.54Å; V324-I406 HydrophobicContact CG2-CG2 3.61Å |
| 325 | F | 98.1 | Very high | 96.6 | Very high | 19 Ų | 19 | 38.3 Ų | 38.3 | 8% | 0.083 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -64.3 | 140.7 | 173.9 | -70.9 | -86.4 | 0 | 0 | 0 | 109.8 | L287 K289 Y294 I321 V329 L334 V398 F399 | L287-F325 HydrophobicContact CD2-CE1 4.5Å; L287-F325 HydrophobicContact CD2-CZ 3.82Å; K289-F325 HydrophobicContact CD-CD1 4.03Å; K289-F325 HydrophobicContact CD-CD2 4.06Å; K289-F325 HydrophobicContact CD-CE1 4.08Å; K289-F325 HydrophobicContact CD-CE2 4.11Å; K289-F325 HydrophobicContact CD-CG 4.03Å; K289-F325 HydrophobicContact CD-CZ 4.13Å; Y294-F325 HydrophobicContact CE1-CE2 4.08Å; I321-F325 HydrophobicContact CD1-CE2 4.26Å; I321-F325 HydrophobicContact CG1-CE2 4.42Å; I321-F325 WeakPolarHBondContact O-CD2 3.47Å; I321-F325 WeakPolarHBondContact O-CE2 3.31Å; F325-V329 HydrophobicContact CD1-CG1 4.39Å; F325-L334 HydrophobicContact CE1-CD1 4.11Å; F325-L334 HydrophobicContact CZ-CD1 4.37Å; F325-V398 HydrophobicContact CD1-CG1 3.93Å; F325-V398 HydrophobicContact CE1-CG1 4.05Å; F325-F399 HydrophobicContact CD1-CB 4.1Å; F325-F399 HydrophobicContact CE1-CB 4.44Å; F325-F399 HydrophobicContact CG-CB 4.41Å |
| 326 | K | 97.3 | Very high | 96.8 | Very high | 86 Ų | 86 | 37.2 Ų | 37.2 | 37% | 0.374 | 20% | 0.203 | S | C | . | . | trans | -66 | 148.8 | 177.7 | -60.3 | -58.2 | -168.9 | -179.9 | 0 | 110.1 | N328 V329 T397 V398 T400 | K326-N328 WeakPolarHBondContact CB-OD1 3.5Å; K326-N328 PolarHBondContact O-N 3.35Å; K326-N328 VanDerWaalsContact O-N 3.1Å; K326-V329 HydrophobicContact CB-CG2 4.26Å; K326-V329 WeakPolarHBondContact O-CB 3.37Å; K326-V329 PolarHBondContact O-N 3.36Å; K326-T397 WeakPolarHBondContact CG-O 3.4Å; K326-V398 PolarHBondContact N-O 2.99Å; K326-T400 WeakPolarHBondContact CE-OG1 3.32Å; K326-T400 PolarHBondContact NZ-OG1 3.41Å | ||
| 327 | S | 93.7 | Very high | 97.1 | Very high | 132 Ų | 132 | 38.2 Ų | 38.2 | 92% | 0.923 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -25.6 | -175.4 | 52.1 | 0 | 0 | 0 | 0 | 114.2 | V329 | S327-V329 VanDerWaalsContact C-N 3.33Š|
| 328 | N | 94.4 | Very high | 97.1 | Very high | 101 Ų | 101 | 38.2 Ų | 38.2 | 54% | 0.54 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -3.8 | 176.6 | 65.8 | -48.6 | 0 | 0 | 0 | 113.7 | K326 N379 | K326-N328 WeakPolarHBondContact CB-OD1 3.5Å; K326-N328 PolarHBondContact O-N 3.35Å; K326-N328 VanDerWaalsContact O-N 3.1Å; N328-N379 PolarHBondContact O-ND2 3.26Å; N328-N379 PolarHBondContact O-OD1 3.14Å |
| 329 | V | 96.9 | Very high | 96.8 | Very high | 8 Ų | 8 | 38.6 Ų | 38.6 | 5% | 0.048 | 21% | 0.209 | C | C | . | . | trans | -98 | 100.7 | -179.1 | 179.4 | 0 | 0 | 0 | 0 | 110.3 | F325 K326 S327 C332 V378 V398 | F325-V329 HydrophobicContact CD1-CG1 4.39Å; K326-V329 HydrophobicContact CB-CG2 4.26Å; K326-V329 WeakPolarHBondContact O-CB 3.37Å; K326-V329 PolarHBondContact O-N 3.36Å; S327-V329 VanDerWaalsContact C-N 3.33Å; V329-C332 HydrophobicContact CG1-CB 4.17Å; V329-V378 HydrophobicContact CG2-CG1 4.44Å; V329-V398 HydrophobicContact CG1-CG1 4.13Å; V329-V398 HydrophobicContact CG2-CG1 4.42Å | ||
| 330 | V | 95.1 | Very high | 96.5 | Very high | 82 Ų | 82 | 36.6 Ų | 36.6 | 50% | 0.497 | 20% | 0.196 | S | C | . | . | trans | -81.9 | -57.3 | 177.5 | -179.1 | 0 | 0 | 0 | 0 | 110 | K289 G291 N379 | K289-V330 PolarHBondContact NZ-O 3.18Å; G291-V330 PolarHBondContact N-O 3.44Å; V330-N379 PolarHBondContact N-OD1 2.9Å | ||
| 331 | N | 98 | Very high | 96.2 | Very high | 8 Ų | 8 | 32.8 Ų | 32.8 | 4% | 0.043 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 146.6 | 179.5 | 64 | 40.5 | 0 | 0 | 0 | 112.4 | L248 K289 D290 L377 V378 N379 N380 | L248-N331 HydrophobicContact CD2-CB 4.07Å; K289-N331 CarbonylContact O-C 3.52Å; K289-N331 WeakPolarHBondContact O-CA 3.37Å; K289-N331 VanDerWaalsContact O-CB 3.24Å; K289-N331 WeakPolarHBondContact O-CB 3.45Å; D290-N331 HydrophobicContact CB-CB 4.32Å; N331-L377 HydrophobicContact CB-CD2 4.48Å; N331-L377 WeakPolarHBondContact OD1-CD2 2.84Å; N331-V378 CarbonylContact O-C 3.55Å; N331-V378 WeakPolarHBondContact O-CA 3.11Å; N331-N379 PolarHBondContact O-N 3.22Å; N331-N379 WeakPolarHBondContact OD1-CA 3.37Å; N331-N379 PolarHBondContact OD1-N 3.1Å; N331-N380 PolarHBondContact ND2-OD1 2.9Å; N331-N380 PolarHBondContact OD1-N 2.95Å |
| 332 | C | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 158.6 | 175.7 | 66.9 | 0 | 0 | 0 | 0 | 112.9 | K289 V329 L377 V378 V398 | K289-C332 PolarHBondContact N-O 2.93Å; K289-C332 PolarHBondContact O-N 2.92Å; V329-C332 HydrophobicContact CG1-CB 4.17Å; C332-L377 CarbonylContact C-O 3.58Å; C332-L377 WeakPolarHBondContact CA-O 3.29Å; C332-L377 WeakPolarHBondContact CB-O 3.5Å; C332-V378 HydrophobicContact CB-CG2 4.46Å; C332-V398 HydrophobicContact CB-CG1 4.49Å |
| 333 | I | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 118.1 | 168.5 | -60.3 | 172.6 | 0 | 0 | 0 | 108.4 | I246 L248 F252 L287 V375 L376 L377 | I246-I333 HydrophobicContact CG2-CD1 3.74Å; L248-I333 HydrophobicContact CD1-CG1 4.11Å; F252-I333 HydrophobicContact CE1-CG2 3.72Å; F252-I333 HydrophobicContact CZ-CG2 4.32Å; L287-I333 CarbonylContact O-C 3.58Å; L287-I333 VanDerWaalsContact O-CA 3.31Å; L287-I333 WeakPolarHBondContact O-CA 3.31Å; I333-V375 WeakPolarHBondContact O-CA 3.48Å; I333-L376 HydrophobicContact CB-CB 4.04Å; I333-L376 HydrophobicContact CG2-CB 3.86Å; I333-L376 PolarHBondContact O-N 3.44Å; I333-L377 HydrophobicContact CB-CB 3.96Å; I333-L377 HydrophobicContact CD1-CB 3.77Å; I333-L377 HydrophobicContact CD1-CD1 4.07Å; I333-L377 HydrophobicContact CD1-CG 4.44Å; I333-L377 HydrophobicContact CG1-CB 3.8Å; I333-L377 PolarHBondContact N-O 3.28Å |
| 334 | L | 98.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 142.9 | 178 | -55.9 | -176.2 | 0 | 0 | 0 | 110.6 | Q286 L287 F325 F370 V372 V375 L395 V398 F399 | Q286-L334 CarbonylContact C-O 3.48Å; Q286-L334 VanDerWaalsContact CA-O 3.29Å; Q286-L334 WeakPolarHBondContact CA-O 3.46Å; L287-L334 HydrophobicContact CB-CB 4.21Å; L287-L334 HydrophobicContact CD2-CB 4.27Å; L287-L334 HydrophobicContact CD2-CD1 3.71Å; L287-L334 HydrophobicContact CD2-CG 4.06Å; L287-L334 PolarHBondContact N-O 3.35Å; L287-L334 PolarHBondContact O-N 2.93Å; F325-L334 HydrophobicContact CE1-CD1 4.11Å; F325-L334 HydrophobicContact CZ-CD1 4.37Å; L334-F370 HydrophobicContact CB-CE1 4.09Å; L334-V372 HydrophobicContact CB-CG1 3.85Å; L334-V372 HydrophobicContact CD1-CG1 4.2Å; L334-V372 HydrophobicContact CD1-CG2 4.15Å; L334-V372 HydrophobicContact CD2-CG1 4.25Å; L334-V372 HydrophobicContact CG-CG1 4.33Å; L334-V375 HydrophobicContact CD2-CB 3.95Å; L334-V375 HydrophobicContact CD2-CG2 3.78Å; L334-L395 HydrophobicContact CD2-CD1 3.92Å; L334-V398 HydrophobicContact CD2-CG1 4.35Å; L334-F399 HydrophobicContact CD1-CD1 4.22Å; L334-F399 HydrophobicContact CD1-CE1 4.06Å |
| 335 | D | 98.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 123.8 | 172.9 | -168.7 | 9.1 | 0 | 0 | 0 | 108.5 | R284 F373 D374 L376 Y444 | R284-D335 WeakPolarHBondContact CD-OD1 3.32Å; R284-D335 IonicContact CZ-OD1 3.15Å; R284-D335 IonicContact CZ-OD2 3.15Å; R284-D335 IonicContact NE-OD1 2.73Å; R284-D335 PolarHBondContact NE-OD1 2.88Å; R284-D335 IonicContact NE-OD2 3.91Å; R284-D335 VanDerWaalsContact NH2-CG 3.26Å; R284-D335 IonicContact NH2-OD1 3.46Å; R284-D335 PolarHBondContact NH2-OD1 3.46Å; R284-D335 IonicContact NH2-OD2 3.41Å; R284-D335 PolarHBondContact NH2-OD2 2.87Å; D335-F373 VanDerWaalsContact C-CE2 3.48Å; D335-F373 HydrophobicContact CB-CE2 3.84Å; D335-F373 HydrophobicContact CB-CZ 4.26Å; D335-F373 WeakPolarHBondContact O-CE2 3.46Å; D335-F373 VanDerWaalsContact O-CZ 3.28Å; D335-F373 WeakPolarHBondContact O-CZ 3.44Å; D335-F373 PolarHBondContact O-N 2.99Å; D335-D374 HydrophobicContact CB-CB 4.12Å; D335-D374 PolarHBondContact N-O 2.95Å; D335-D374 PolarHBondContact O-N 2.96Å; D335-D374 VanDerWaalsContact O-N 3.14Å; D335-L376 HydrophobicContact CB-CD2 3.97Å; D335-Y444 WeakPolarHBondContact OD2-CE2 3.29Å; D335-Y444 PolarHBondContact OD2-OH 3.04Å |
| 336 | G | 98.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 174.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R284 I285 F370 C371 | R284-G336 VanDerWaalsContact CD-O 3.32Å; R284-G336 WeakPolarHBondContact CD-O 3.41Å; I285-G336 PolarHBondContact N-O 3.25Å; I285-G336 PolarHBondContact O-N 2.96Å; G336-F370 VanDerWaalsContact C-CE2 3.5Å; G336-C371 CarbonylContact C-O 3.52Å; G336-C371 WeakPolarHBondContact CA-O 3.41Å |
| 337 | E | 97.6 | Very high | 92 | Very high | 28 Ų | 28 | 36.8 Ų | 36.8 | 13% | 0.131 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.8 | 172.7 | -152.8 | 75.7 | -172.1 | 0 | 0 | 108.5 | L280 E283 R284 M339 C371 F373 | L280-E337 HydrophobicContact CB-CB 4.12Å; L280-E337 HydrophobicContact CB-CG 4.09Å; L280-E337 HydrophobicContact CD1-CB 4.18Å; E283-E337 WeakPolarHBondContact CA-OE1 3.28Å; E283-E337 PolarHBondContact N-OE1 3.31Å; R284-E337 WeakPolarHBondContact CA-OE2 3.24Å; R284-E337 WeakPolarHBondContact CD-OE2 3.37Å; R284-E337 VanDerWaalsContact N-CD 3.28Å; R284-E337 PolarHBondContact N-OE1 3.25Å; R284-E337 PolarHBondContact N-OE2 3.03Å; R284-E337 IonicContact NH1-OE2 3.2Å; E337-M339 HydrophobicContact CG-SD 4.16Å; E337-C371 PolarHBondContact N-O 3.42Å; E337-C371 WeakPolarHBondContact O-CB 3.27Å; E337-C371 PolarHBondContact O-N 2.85Å; E337-F373 HydrophobicContact CB-CE1 4.32Å |
| 338 | M | 95.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 124.4 | 173.1 | -158.6 | 66.6 | 75.6 | 0 | 0 | 109.5 | G282 E283 I285 Y296 F308 L317 I357 T368 F370 | G282-M338 CarbonylContact C-O 3.56Å; G282-M338 VanDerWaalsContact CA-O 3.27Å; G282-M338 WeakPolarHBondContact CA-O 3.32Å; E283-M338 HydrophobicContact CB-CB 4.48Å; E283-M338 PolarHBondContact N-O 3.15Å; E283-M338 WeakPolarHBondContact O-CB 3.34Å; E283-M338 PolarHBondContact O-N 3.19Å; I285-M338 HydrophobicContact CB-CE 4.22Å; I285-M338 HydrophobicContact CG1-CB 3.82Å; I285-M338 HydrophobicContact CG1-CE 4.12Å; I285-M338 HydrophobicContact CG2-CE 4.01Å; Y296-M338 HydrophobicContact CD1-CE 4.4Å; Y296-M338 HydrophobicContact CE1-CE 4.39Å; F308-M338 HydrophobicContact CD1-CE 3.98Å; F308-M338 HydrophobicContact CD2-CE 4.27Å; F308-M338 HydrophobicContact CE1-CE 3.88Å; F308-M338 HydrophobicContact CE1-CG 3.88Å; F308-M338 HydrophobicContact CE1-SD 4.27Å; F308-M338 HydrophobicContact CE2-CE 4.15Å; F308-M338 HydrophobicContact CG-CE 4.19Å; F308-M338 HydrophobicContact CZ-CE 3.96Å; F308-M338 HydrophobicContact CZ-CG 3.96Å; L317-M338 HydrophobicContact CD2-CE 3.57Å; L317-M338 HydrophobicContact CD2-SD 3.89Å; M338-I357 HydrophobicContact CB-CG2 4.21Å; M338-I357 HydrophobicContact CG-CG2 3.58Å; M338-I357 VanDerWaalsContact O-CD1 3.3Å; M338-I357 WeakPolarHBondContact O-CD1 3.2Å; M338-T368 HydrophobicContact CE-CG2 4.28Å; M338-T368 HydrophobicContact CG-CG2 3.64Å; M338-T368 HydrophobicContact SD-CG2 3.21Å; M338-T368 WeakPolarHBondContact SD-CG2 3.5Å; M338-F370 HydrophobicContact CE-CB 4.19Å; M338-F370 HydrophobicContact CE-CD2 3.8Å; M338-F370 HydrophobicContact CE-CE2 4.45Å; M338-F370 HydrophobicContact CE-CG 4.13Å; M338-F370 HydrophobicContact SD-CB 3.79Å; M338-F370 HydrophobicContact SD-CD2 3.99Å; M338-F370 HydrophobicContact SD-CG 4.25Å |
| 339 | M | 92.3 | Very high | 90.9 | Very high | 8 Ų | 8 | 31.7 Ų | 31.7 | 4% | 0.039 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 150.7 | -177.4 | -58.9 | -59.7 | -67.9 | 0 | 0 | 110.3 | L280 G282 E337 F348 C369 C371 | L280-M339 HydrophobicContact CB-CE 4.39Å; L280-M339 HydrophobicContact CB-SD 3.86Å; G282-M339 WeakPolarHBondContact CA-SD 3.24Å; E337-M339 HydrophobicContact CG-SD 4.16Å; M339-F348 HydrophobicContact CB-CD1 3.58Å; M339-F348 HydrophobicContact CB-CE1 3.86Å; M339-F348 HydrophobicContact CB-CG 4.31Å; M339-F348 HydrophobicContact CE-CB 3.98Å; M339-F348 HydrophobicContact CE-CG 4.21Å; M339-F348 HydrophobicContact CG-CD1 4.18Å; M339-F348 HydrophobicContact CG-CE1 4.35Å; M339-C369 HydrophobicContact CB-CB 4.45Å; M339-C369 PolarHBondContact N-O 3.2Å; M339-C369 PolarHBondContact O-N 3.12Å; M339-C371 HydrophobicContact CG-CB 4.41Å; M339-C371 WeakPolarHBondContact CG-SG 3.49Å |
| 340 | A | 89.9 | Confident | 89.7 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 130.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109 | F348 M349 F355 I357 L360 L366 | A340-F348 WeakPolarHBondContact O-CA 3.43Å; A340-M349 HydrophobicContact CB-CB 4.15Å; A340-M349 PolarHBondContact O-N 2.73Å; A340-F355 HydrophobicContact CB-CD2 3.83Å; A340-F355 HydrophobicContact CB-CE1 4.27Å; A340-F355 HydrophobicContact CB-CE2 3.15Å; A340-F355 HydrophobicContact CB-CZ 3.43Å; A340-F355 VanDerWaalsContact CB-CZ 3.43Å; A340-I357 HydrophobicContact CB-CD1 4.47Å; A340-I357 HydrophobicContact CB-CG1 4.16Å; A340-L360 HydrophobicContact CB-CD1 4.01Å; A340-L366 HydrophobicContact CB-CD1 4.33Å |
| 341 | F | 89 | Confident | 88.4 | Confident | 14 Ų | 14 | 34.1 Ų | 34.1 | 6% | 0.061 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 132.3 | -178.8 | -178.6 | -101.7 | 0 | 0 | 0 | 109.8 | P343 T347 F348 L366 Q367 C369 K403 | F341-P343 HydrophobicContact CD1-CG 4.35Å; F341-P343 HydrophobicContact CE1-CB 4.45Å; F341-P343 WeakPolarHBondContact O-CD 3.4Å; F341-T347 WeakPolarHBondContact CD2-O 3.38Å; F341-F348 HydrophobicContact CB-CD1 4.13Å; F341-F348 HydrophobicContact CB-CE1 4.14Å; F341-F348 AromaticContact CD2-CD1 3.78Å; F341-F348 HydrophobicContact CD2-CD1 3.78Å; F341-F348 AromaticContact CD2-CE1 3.64Å; F341-F348 HydrophobicContact CD2-CE1 3.64Å; F341-F348 HydrophobicContact CD2-CZ 4.32Å; F341-F348 HydrophobicContact CG-CD1 4.46Å; F341-F348 HydrophobicContact CG-CE1 4.32Å; F341-L366 WeakPolarHBondContact O-CA 3.39Å; F341-Q367 HydrophobicContact CB-CG 4.17Å; F341-Q367 HydrophobicContact CD1-CG 4Å; F341-Q367 PolarHBondContact N-O 2.93Å; F341-Q367 PolarHBondContact O-N 3.43Å; F341-C369 HydrophobicContact CB-CB 3.9Å; F341-K403 HydrophobicContact CZ-CG 4.27Å |
| 342 | N | 85.4 | Confident | 86.4 | Confident | 27 Ų | 27 | 34.8 Ų | 34.8 | 14% | 0.144 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 111.4 | 172.5 | -175.6 | -44.5 | 0 | 0 | 0 | 108.9 | T344 A345 G346 T347 M349 L366 | N342-T344 VanDerWaalsContact C-N 3.33Å; N342-T344 PolarHBondContact O-N 3.47Å; N342-T344 WeakPolarHBondContact OD1-CA 3.13Å; N342-T344 WeakPolarHBondContact OD1-CB 3.42Å; N342-T344 PolarHBondContact OD1-N 3.31Å; N342-A345 HydrophobicContact CB-CB 4.19Å; N342-A345 PolarHBondContact OD1-N 3.24Å; N342-G346 WeakPolarHBondContact O-CA 3.44Å; N342-G346 PolarHBondContact O-N 3.16Å; N342-T347 PolarHBondContact N-O 3.17Å; N342-T347 PolarHBondContact O-N 3.33Å; N342-M349 HydrophobicContact CB-CG 4.2Å; N342-M349 HydrophobicContact CB-SD 4.03Å; N342-L366 HydrophobicContact CB-CD2 3.72Å |
| 343 | P | 87.3 | Confident | 84.6 | Confident | 64 Ų | 64 | 37 Ų | 37 | 42% | 0.416 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -34.6 | -178.9 | -21.8 | 35.3 | 0 | 0 | 0 | 113.5 | F341 E365 Q367 | F341-P343 HydrophobicContact CD1-CG 4.35Å; F341-P343 HydrophobicContact CE1-CB 4.45Å; F341-P343 WeakPolarHBondContact O-CD 3.4Å; P343-E365 WeakPolarHBondContact CD-O 3.26Å; P343-Q367 HydrophobicContact CG-CG 4Å |
| 344 | T | 84 | Confident | 82.9 | Confident | 138 Ų | 138 | 46.4 Ų | 46.4 | 85% | 0.847 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -46.4 | -178.4 | -51.5 | 0 | 0 | 0 | 0 | 111.6 | N342 | N342-T344 VanDerWaalsContact C-N 3.33Å; N342-T344 PolarHBondContact O-N 3.47Å; N342-T344 WeakPolarHBondContact OD1-CA 3.13Å; N342-T344 WeakPolarHBondContact OD1-CB 3.42Å; N342-T344 PolarHBondContact OD1-N 3.31Å |
| 345 | A | 77.8 | Confident | 81.3 | Confident | 63 Ų | 63 | 48.3 Ų | 48.3 | 52% | 0.521 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -19.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N342 T347 | N342-A345 HydrophobicContact CB-CB 4.19Å; N342-A345 PolarHBondContact OD1-N 3.24Å; A345-T347 VanDerWaalsContact C-N 3.28Å; A345-T347 WeakPolarHBondContact CB-OG1 3.5Å; A345-T347 PolarHBondContact O-N 3.41Å |
| 346 | G | 81.6 | Confident | 80.1 | Confident | 27 Ų | 27 | 51.1 Ų | 51.1 | 28% | 0.278 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 23.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | N342 | N342-G346 WeakPolarHBondContact O-CA 3.44Å; N342-G346 PolarHBondContact O-N 3.16Å |
| 347 | T | 80.8 | Confident | 79 | Confident | 73 Ų | 73 | 51.4 Ų | 51.4 | 45% | 0.448 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 158 | -171.7 | 56 | 0 | 0 | 0 | 0 | 112.7 | F341 N342 A345 | F341-T347 WeakPolarHBondContact CD2-O 3.38Å; N342-T347 PolarHBondContact N-O 3.17Å; N342-T347 PolarHBondContact O-N 3.33Å; A345-T347 VanDerWaalsContact C-N 3.28Å; A345-T347 WeakPolarHBondContact CB-OG1 3.5Å; A345-T347 PolarHBondContact O-N 3.41Å |
| 348 | F | 84.8 | Confident | 77.7 | Confident | 72 Ų | 72 | 52.3 Ų | 52.3 | 32% | 0.316 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 135.5 | 170.3 | -66.9 | -57.7 | 0 | 0 | 0 | 111 | M339 A340 F341 C369 H407 | M339-F348 HydrophobicContact CB-CD1 3.58Å; M339-F348 HydrophobicContact CB-CE1 3.86Å; M339-F348 HydrophobicContact CB-CG 4.31Å; M339-F348 HydrophobicContact CE-CB 3.98Å; M339-F348 HydrophobicContact CE-CG 4.21Å; M339-F348 HydrophobicContact CG-CD1 4.18Å; M339-F348 HydrophobicContact CG-CE1 4.35Å; A340-F348 WeakPolarHBondContact O-CA 3.43Å; F341-F348 HydrophobicContact CB-CD1 4.13Å; F341-F348 HydrophobicContact CB-CE1 4.14Å; F341-F348 AromaticContact CD2-CD1 3.78Å; F341-F348 HydrophobicContact CD2-CD1 3.78Å; F341-F348 AromaticContact CD2-CE1 3.64Å; F341-F348 HydrophobicContact CD2-CE1 3.64Å; F341-F348 HydrophobicContact CD2-CZ 4.32Å; F341-F348 HydrophobicContact CG-CD1 4.46Å; F341-F348 HydrophobicContact CG-CE1 4.32Å; F348-C369 HydrophobicContact CE1-CB 3.84Å; F348-H407 AromaticContact CE2-NE2 3.9Å; F348-H407 AromaticContact CZ-NE2 3.37Å; F348-H407 WeakPolarHBondContact CZ-NE2 3.49Å |
| 349 | M | 79.8 | Confident | 76.6 | Confident | 54 Ų | 54 | 61.3 Ų | 61.3 | 27% | 0.266 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 139.4 | 172.7 | -58.7 | -62.2 | -65.1 | 0 | 0 | 110.1 | A340 N342 F355 L366 | A340-M349 HydrophobicContact CB-CB 4.15Å; A340-M349 PolarHBondContact O-N 2.73Å; N342-M349 HydrophobicContact CB-CG 4.2Å; N342-M349 HydrophobicContact CB-SD 4.03Å; M349-F355 HydrophobicContact CB-CE1 3.37Å; M349-F355 HydrophobicContact CB-CZ 3.43Å; M349-F355 VanDerWaalsContact CB-CZ 3.43Å; M349-F355 HydrophobicContact CG-CE1 4.2Å; M349-L366 HydrophobicContact CG-CD1 4Å; M349-L366 HydrophobicContact CG-CD2 3.53Å; M349-L366 HydrophobicContact CG-CG 4.41Å; M349-L366 HydrophobicContact SD-CD2 4.28Å |
| 350 | Q | 71.3 | Confident | 75.7 | Confident | 58 Ų | 58 | 61.6 Ų | 61.6 | 27% | 0.271 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 145.2 | 179.3 | -61.9 | 176.4 | 8.4 | 0 | 0 | 111 | G352 S353 R431 E569 | Q350-G352 PolarHBondContact O-N 3.18Å; Q350-G352 VanDerWaalsContact O-N 3.08Å; Q350-S353 VanDerWaalsContact O-CB 3.27Å; Q350-S353 WeakPolarHBondContact O-CB 3.23Å; Q350-S353 PolarHBondContact O-N 2.97Å; Q350-S353 PolarHBondContact O-OG 3.14Å; Q350-R431 PolarHBondContact NE2-O 3.48Å; Q350-E569 PolarHBondContact OE1-OE2 3.26Å |
| 351 | K | 67.9 | Low | 74.6 | Confident | 83 Ų | 83 | 68.1 Ų | 68.1 | 36% | 0.361 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -21.1 | -177.3 | -177 | 171.8 | -168 | 159.4 | 0 | 114.6 | E283 S353 | E283-K351 IonicContact OE1-NZ 2.67Å; E283-K351 PolarHBondContact OE1-NZ 3.18Å; K351-S353 PolarHBondContact O-N 2.94Å |
| 352 | G | 56.4 | Low | 73.3 | Confident | 21 Ų | 21 | 72.8 Ų | 72.8 | 22% | 0.216 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -8.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q350 | Q350-G352 PolarHBondContact O-N 3.18Å; Q350-G352 VanDerWaalsContact O-N 3.08Å |
| 353 | S | 61 | Low | 72.1 | Confident | 47 Ų | 47 | 78.1 Ų | 78.1 | 33% | 0.329 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -80.1 | 164.9 | 178.9 | -50.8 | 0 | 0 | 0 | 0 | 111.9 | Q350 K351 F355 | Q350-S353 VanDerWaalsContact O-CB 3.27Å; Q350-S353 WeakPolarHBondContact O-CB 3.23Å; Q350-S353 PolarHBondContact O-N 2.97Å; Q350-S353 PolarHBondContact O-OG 3.14Å; K351-S353 PolarHBondContact O-N 2.94Å; S353-F355 PolarHBondContact O-N 3.48Å |
| 354 | K | 62.7 | Low | 71.3 | Confident | 198 Ų | 198 | 77.3 Ų | 77.3 | 86% | 0.861 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -73.1 | 50.6 | -176.4 | -63 | -176.3 | 178 | -178.6 | 0 | 114.3 | ||
| 355 | F | 65.7 | Low | 71.2 | Confident | 40 Ų | 40 | 78.8 Ų | 78.8 | 18% | 0.175 | 41% | 0.405 | C | S | . | . | trans | -142.8 | 156.5 | 172.4 | 65.3 | -95 | 0 | 0 | 0 | 111.8 | A340 M349 S353 I357 L360 L366 | A340-F355 HydrophobicContact CB-CD2 3.83Å; A340-F355 HydrophobicContact CB-CE1 4.27Å; A340-F355 HydrophobicContact CB-CE2 3.15Å; A340-F355 HydrophobicContact CB-CZ 3.43Å; A340-F355 VanDerWaalsContact CB-CZ 3.43Å; M349-F355 HydrophobicContact CB-CE1 3.37Å; M349-F355 HydrophobicContact CB-CZ 3.43Å; M349-F355 VanDerWaalsContact CB-CZ 3.43Å; M349-F355 HydrophobicContact CG-CE1 4.2Å; S353-F355 PolarHBondContact O-N 3.48Å; F355-I357 HydrophobicContact CD2-CG1 4.02Å; F355-I357 HydrophobicContact CE2-CD1 4.25Å; F355-I357 HydrophobicContact CE2-CG1 3.63Å; F355-L360 HydrophobicContact CB-CD2 4.25Å; F355-L366 HydrophobicContact CB-CD1 4.33Å; F355-L366 HydrophobicContact CD1-CD1 3.47Å; F355-L366 VanDerWaalsContact CD1-CD1 3.47Å; F355-L366 HydrophobicContact CD2-CD1 4.41Å; F355-L366 HydrophobicContact CE1-CD1 3.84Å; F355-L366 HydrophobicContact CG-CD1 3.81Å; F355-L366 HydrophobicContact CZ-CD1 4.49Å | ||
| 356 | D | 72.6 | Confident | 71.7 | Confident | 59 Ų | 59 | 76.8 Ų | 76.8 | 32% | 0.316 | 39% | 0.386 | S | S | . | . | trans | -116.8 | 114.7 | 171.4 | -178.2 | -2.4 | 0 | 0 | 0 | 107.9 | K358 R359 L360 | D356-K358 PolarHBondContact O-N 3.34Å; D356-K358 VanDerWaalsContact O-N 3.11Å; D356-K358 WeakPolarHBondContact OD1-CB 3.38Å; D356-K358 PolarHBondContact OD1-N 3.32Å; D356-R359 HydrophobicContact CB-CB 4.19Å; D356-R359 HydrophobicContact CB-CG 4.24Å; D356-R359 CarbonylContact O-C 3.5Å; D356-R359 WeakPolarHBondContact O-CA 3.23Å; D356-R359 PolarHBondContact O-N 3.26Å; D356-R359 IonicContact OD2-NE 2.77Å; D356-L360 PolarHBondContact O-N 3.15Å | ||
| 357 | I | 75.9 | Confident | 72.1 | Confident | 6 Ų | 6 | 77.3 Ų | 77.3 | 3% | 0.031 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -55 | -33.1 | -178.8 | -58.3 | 177.5 | 0 | 0 | 0 | 110.5 | E283 M338 A340 F355 R359 L360 | E283-I357 HydrophobicContact CG-CD1 4.42Å; M338-I357 HydrophobicContact CB-CG2 4.21Å; M338-I357 HydrophobicContact CG-CG2 3.58Å; M338-I357 VanDerWaalsContact O-CD1 3.3Å; M338-I357 WeakPolarHBondContact O-CD1 3.2Å; A340-I357 HydrophobicContact CB-CD1 4.47Å; A340-I357 HydrophobicContact CB-CG1 4.16Å; F355-I357 HydrophobicContact CD2-CG1 4.02Å; F355-I357 HydrophobicContact CE2-CD1 4.25Å; F355-I357 HydrophobicContact CE2-CG1 3.63Å; I357-R359 PolarHBondContact O-N 2.77Å; I357-L360 HydrophobicContact CG2-CD1 4.46Å |
| 358 | K | 70.3 | Confident | 72.7 | Confident | 47 Ų | 47 | 74 Ų | 74 | 20% | 0.204 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -74.2 | -1.6 | 178.8 | -56.5 | 168.5 | 172.8 | -161.2 | 0 | 113.9 | E283 Y304 Q307 D356 | E283-K358 WeakPolarHBondContact OE1-CE 3.36Å; E283-K358 WeakPolarHBondContact OE2-CD 3.4Å; E283-K358 WeakPolarHBondContact OE2-CE 3.16Å; E283-K358 WeakPolarHBondContact OE2-CG 3.12Å; E283-K358 IonicContact OE2-NZ 3.09Å; Y304-K358 HydrophobicContact CD1-CB 4.17Å; Y304-K358 HydrophobicContact CD1-CD 4.25Å; Y304-K358 HydrophobicContact CD1-CG 4.11Å; Y304-K358 HydrophobicContact CE1-CB 3.91Å; Y304-K358 HydrophobicContact CE1-CD 3.45Å; Y304-K358 VanDerWaalsContact CE1-CD 3.45Å; Y304-K358 HydrophobicContact CE1-CG 3.79Å; Y304-K358 VanDerWaalsContact CZ-NZ 3.34Å; Y304-K358 PolarHBondContact OH-NZ 2.89Å; Q307-K358 VanDerWaalsContact CG-O 3.26Å; Q307-K358 WeakPolarHBondContact CG-O 3.49Å; Q307-K358 PolarHBondContact OE1-O 3.2Å; Q307-K358 VanDerWaalsContact OE1-O 3.05Å; D356-K358 PolarHBondContact O-N 3.34Å; D356-K358 VanDerWaalsContact O-N 3.11Å; D356-K358 WeakPolarHBondContact OD1-CB 3.38Å; D356-K358 PolarHBondContact OD1-N 3.32Å |
| 359 | R | 71.6 | Confident | 73.2 | Confident | 189 Ų | 189 | 70.5 Ų | 70.5 | 71% | 0.713 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -134 | 9.7 | -177.8 | -60.9 | -177.5 | 176.8 | -177.5 | -1.2 | 112.5 | D356 I357 M361 | D356-R359 HydrophobicContact CB-CB 4.19Å; D356-R359 HydrophobicContact CB-CG 4.24Å; D356-R359 CarbonylContact O-C 3.5Å; D356-R359 WeakPolarHBondContact O-CA 3.23Å; D356-R359 PolarHBondContact O-N 3.26Å; D356-R359 IonicContact OD2-NE 2.77Å; I357-R359 PolarHBondContact O-N 2.77Å; R359-M361 PolarHBondContact O-N 3.26Å |
| 360 | L | 73.4 | Confident | 74 | Confident | 13 Ų | 13 | 68 Ų | 68 | 7% | 0.068 | 33% | 0.333 | C | S | . | . | trans | -64 | 124.9 | 174.6 | -71.3 | 173.9 | 0 | 0 | 0 | 108.7 | Q307 A340 F355 D356 I357 L366 | Q307-L360 PolarHBondContact NE2-O 2.57Å; A340-L360 HydrophobicContact CB-CD1 4.01Å; F355-L360 HydrophobicContact CB-CD2 4.25Å; D356-L360 PolarHBondContact O-N 3.15Å; I357-L360 HydrophobicContact CG2-CD1 4.46Å; L360-L366 HydrophobicContact CD1-CB 4.5Å; L360-L366 HydrophobicContact CD2-CB 4.17Å | ||
| 361 | M | 66.8 | Low | 75.3 | Confident | 137 Ų | 137 | 65.2 Ų | 65.2 | 68% | 0.675 | 32% | 0.32 | S | S | * | . | trans | -99 | 162.2 | 175.1 | -69.9 | -178.7 | 170.6 | 0 | 0 | 109.4 | R359 D363 S364 | R359-M361 PolarHBondContact O-N 3.26Å; M361-D363 WeakPolarHBondContact CB-OD1 3.26Å; M361-D363 PolarHBondContact O-N 3.15Å; M361-S364 VanDerWaalsContact O-CB 3.23Å; M361-S364 WeakPolarHBondContact O-CB 3.32Å; M361-S364 PolarHBondContact O-N 3.46Å; M361-S364 VanDerWaalsContact O-N 3.12Å | ||
| 362 | D | 61.7 | Low | 76.8 | Confident | 112 Ų | 112 | 61.2 Ų | 61.2 | 60% | 0.599 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -19 | -177.5 | -72.8 | -48.8 | 0 | 0 | 0 | 113.6 | Y320 S364 | Y320-D362 PolarHBondContact OH-OD1 3.43Å; D362-S364 VanDerWaalsContact C-N 3.27Å; D362-S364 PolarHBondContact O-N 3.45Å |
| 363 | D | 60.7 | Low | 78.8 | Confident | 140 Ų | 140 | 60.8 Ų | 60.8 | 75% | 0.749 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | 3.1 | 176 | 65.5 | -20.6 | 0 | 0 | 0 | 113.7 | M361 | M361-D363 WeakPolarHBondContact CB-OD1 3.26Å; M361-D363 PolarHBondContact O-N 3.15Å |
| 364 | S | 71.3 | Confident | 80.6 | Confident | 47 Ų | 47 | 58.6 Ų | 58.6 | 33% | 0.329 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -77.3 | 144.2 | 177.3 | -170.3 | 0 | 0 | 0 | 0 | 112 | M361 D362 L366 | M361-S364 VanDerWaalsContact O-CB 3.23Å; M361-S364 WeakPolarHBondContact O-CB 3.32Å; M361-S364 PolarHBondContact O-N 3.46Å; M361-S364 VanDerWaalsContact O-N 3.12Å; D362-S364 VanDerWaalsContact C-N 3.27Å; D362-S364 PolarHBondContact O-N 3.45Å; S364-L366 WeakPolarHBondContact CB-O 3.4Å; S364-L366 PolarHBondContact O-N 3.23Å; S364-L366 VanDerWaalsContact O-N 3.11Å; S364-L366 PolarHBondContact OG-N 3.16Å; S364-L366 PolarHBondContact OG-O 3.26Å |
| 365 | E | 82 | Confident | 82.3 | Confident | 168 Ų | 168 | 49.1 Ų | 49.1 | 79% | 0.785 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -62 | -12.8 | 166.1 | -61.9 | -177.3 | 170.2 | 0 | 0 | 112.8 | P343 | P343-E365 WeakPolarHBondContact CD-O 3.26Š|
| 366 | L | 86.7 | Confident | 83.8 | Confident | 21 Ų | 21 | 47.4 Ų | 47.4 | 11% | 0.11 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -109.7 | 141.6 | 178.2 | -55.8 | -179.1 | 0 | 0 | 0 | 110.2 | A340 F341 N342 M349 F355 L360 S364 | A340-L366 HydrophobicContact CB-CD1 4.33Å; F341-L366 WeakPolarHBondContact O-CA 3.39Å; N342-L366 HydrophobicContact CB-CD2 3.72Å; M349-L366 HydrophobicContact CG-CD1 4Å; M349-L366 HydrophobicContact CG-CD2 3.53Å; M349-L366 HydrophobicContact CG-CG 4.41Å; M349-L366 HydrophobicContact SD-CD2 4.28Å; F355-L366 HydrophobicContact CB-CD1 4.33Å; F355-L366 HydrophobicContact CD1-CD1 3.47Å; F355-L366 VanDerWaalsContact CD1-CD1 3.47Å; F355-L366 HydrophobicContact CD2-CD1 4.41Å; F355-L366 HydrophobicContact CE1-CD1 3.84Å; F355-L366 HydrophobicContact CG-CD1 3.81Å; F355-L366 HydrophobicContact CZ-CD1 4.49Å; L360-L366 HydrophobicContact CD1-CB 4.5Å; L360-L366 HydrophobicContact CD2-CB 4.17Å; S364-L366 WeakPolarHBondContact CB-O 3.4Å; S364-L366 PolarHBondContact O-N 3.23Å; S364-L366 VanDerWaalsContact O-N 3.11Å; S364-L366 PolarHBondContact OG-N 3.16Å; S364-L366 PolarHBondContact OG-O 3.26Å |
| 367 | Q | 90.3 | Very high | 85.1 | Confident | 39 Ų | 39 | 44.9 Ų | 44.9 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 156.6 | 174.9 | 65.6 | -176.6 | 42.4 | 0 | 0 | 111.8 | F341 P343 G404 | F341-Q367 HydrophobicContact CB-CG 4.17Å; F341-Q367 HydrophobicContact CD1-CG 4Å; F341-Q367 PolarHBondContact N-O 2.93Å; F341-Q367 PolarHBondContact O-N 3.43Å; P343-Q367 HydrophobicContact CG-CG 4Å; Q367-G404 PolarHBondContact NE2-O 3.22Å |
| 368 | T | 93.3 | Very high | 86.1 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 129 | 176.7 | -57.5 | 0 | 0 | 0 | 0 | 110 | F308 S316 L317 M338 | F308-T368 HydrophobicContact CD1-CG2 4.04Å; F308-T368 HydrophobicContact CE1-CG2 3.9Å; S316-T368 PolarHBondContact OG-OG1 2.98Å; S316-T368 VanDerWaalsContact OG-OG1 3.08Å; L317-T368 HydrophobicContact CB-CG2 4.15Å; L317-T368 HydrophobicContact CD1-CG2 4.26Å; L317-T368 HydrophobicContact CD2-CG2 4.4Å; M338-T368 HydrophobicContact CE-CG2 4.28Å; M338-T368 HydrophobicContact CG-CG2 3.64Å; M338-T368 HydrophobicContact SD-CG2 3.21Å; M338-T368 WeakPolarHBondContact SD-CG2 3.5Å |
| 369 | C | 95.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 124.6 | 175.1 | -175.8 | 0 | 0 | 0 | 0 | 110.9 | M339 F341 F348 G404 R405 | M339-C369 HydrophobicContact CB-CB 4.45Å; M339-C369 PolarHBondContact N-O 3.2Å; M339-C369 PolarHBondContact O-N 3.12Å; F341-C369 HydrophobicContact CB-CB 3.9Å; F348-C369 HydrophobicContact CE1-CB 3.84Å; C369-G404 VanDerWaalsContact CB-O 3.31Å; C369-G404 WeakPolarHBondContact CB-O 3.41Å; C369-R405 CarbonylContact C-O 3.35Å; C369-R405 VanDerWaalsContact CA-O 3.31Å; C369-R405 WeakPolarHBondContact CA-O 3.31Å |
| 370 | F | 98 | Very high | 88.6 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 110.9 | 178.6 | -170.8 | -139.9 | 0 | 0 | 0 | 111.9 | I285 L287 L317 L334 G336 M338 V372 R405 I406 H407 | I285-F370 HydrophobicContact CB-CE2 4.03Å; I285-F370 HydrophobicContact CG2-CE2 4.22Å; I285-F370 WeakPolarHBondContact O-CE2 3.35Å; I285-F370 WeakPolarHBondContact O-CZ 3.05Å; L287-F370 HydrophobicContact CB-CE1 3.65Å; L287-F370 HydrophobicContact CB-CZ 4.04Å; L287-F370 HydrophobicContact CD2-CE1 4.27Å; L287-F370 HydrophobicContact CG-CE1 4.46Å; L317-F370 HydrophobicContact CD2-CB 3.82Å; L317-F370 HydrophobicContact CD2-CG 4.44Å; L334-F370 HydrophobicContact CB-CE1 4.09Å; G336-F370 VanDerWaalsContact C-CE2 3.5Å; M338-F370 HydrophobicContact CE-CB 4.19Å; M338-F370 HydrophobicContact CE-CD2 3.8Å; M338-F370 HydrophobicContact CE-CE2 4.45Å; M338-F370 HydrophobicContact CE-CG 4.13Å; M338-F370 HydrophobicContact SD-CB 3.79Å; M338-F370 HydrophobicContact SD-CD2 3.99Å; M338-F370 HydrophobicContact SD-CG 4.25Å; F370-V372 HydrophobicContact CD1-CG2 3.59Å; F370-V372 HydrophobicContact CE1-CG2 3.64Å; F370-V372 HydrophobicContact CG-CG2 4.2Å; F370-V372 HydrophobicContact CZ-CG2 4.28Å; F370-R405 PolarHBondContact N-O 3.47Å; F370-I406 HydrophobicContact CB-CG1 4.33Å; F370-I406 HydrophobicContact CD1-CD1 4.19Å; F370-I406 HydrophobicContact CD1-CG1 4.37Å; F370-I406 VanDerWaalsContact O-CA 3.29Å; F370-I406 WeakPolarHBondContact O-CA 3.44Å; F370-I406 WeakPolarHBondContact O-CG1 3.35Å; F370-H407 PolarHBondContact O-N 3.36Å; F370-H407 VanDerWaalsContact O-N 3.1Å |
| 371 | C | 98.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 100.6 | -178 | -54.1 | 0 | 0 | 0 | 0 | 109.6 | L280 G336 E337 M339 H407 V409 | L280-C371 HydrophobicContact CD1-CB 3.33Å; G336-C371 CarbonylContact C-O 3.52Å; G336-C371 WeakPolarHBondContact CA-O 3.41Å; E337-C371 PolarHBondContact N-O 3.42Å; E337-C371 WeakPolarHBondContact O-CB 3.27Å; E337-C371 PolarHBondContact O-N 2.85Å; M339-C371 HydrophobicContact CG-CB 4.41Å; M339-C371 WeakPolarHBondContact CG-SG 3.49Å; C371-H407 PolarHBondContact SG-NE2 3.45Å; C371-V409 HydrophobicContact CB-CG2 3.99Å |
| 372 | V | 98.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 129.5 | -170.1 | -169.5 | 0 | 0 | 0 | 0 | 110.9 | L334 F370 L395 F399 I406 H407 V408 V409 | L334-V372 HydrophobicContact CB-CG1 3.85Å; L334-V372 HydrophobicContact CD1-CG1 4.2Å; L334-V372 HydrophobicContact CD1-CG2 4.15Å; L334-V372 HydrophobicContact CD2-CG1 4.25Å; L334-V372 HydrophobicContact CG-CG1 4.33Å; F370-V372 HydrophobicContact CD1-CG2 3.59Å; F370-V372 HydrophobicContact CE1-CG2 3.64Å; F370-V372 HydrophobicContact CG-CG2 4.2Å; F370-V372 HydrophobicContact CZ-CG2 4.28Å; V372-L395 HydrophobicContact CB-CD1 4.38Å; V372-L395 HydrophobicContact CG1-CD1 3.61Å; V372-L395 HydrophobicContact CG1-CD2 4.11Å; V372-F399 HydrophobicContact CB-CE1 4.36Å; V372-F399 HydrophobicContact CB-CZ 4.24Å; V372-F399 HydrophobicContact CG2-CE1 4.12Å; V372-F399 HydrophobicContact CG2-CZ 3.98Å; V372-I406 HydrophobicContact CG2-CD1 4.24Å; V372-I406 HydrophobicContact CG2-CG1 4.06Å; V372-H407 PolarHBondContact N-O 2.92Å; V372-V408 CarbonylContact O-C 3.47Å; V372-V408 WeakPolarHBondContact O-CA 3.36Å; V372-V409 PolarHBondContact O-N 2.67Å |
| 373 | F | 98.4 | Very high | 92.8 | Very high | 11 Ų | 11 | 40.5 Ų | 40.5 | 5% | 0.048 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | -7.1 | 177.6 | 52.6 | -106.8 | 0 | 0 | 0 | 113.8 | R284 D335 E337 V409 K411 W453 | R284-F373 VanDerWaalsContact NE-CZ 3.32Å; D335-F373 VanDerWaalsContact C-CE2 3.48Å; D335-F373 HydrophobicContact CB-CE2 3.84Å; D335-F373 HydrophobicContact CB-CZ 4.26Å; D335-F373 WeakPolarHBondContact O-CE2 3.46Å; D335-F373 VanDerWaalsContact O-CZ 3.28Å; D335-F373 WeakPolarHBondContact O-CZ 3.44Å; D335-F373 PolarHBondContact O-N 2.99Å; E337-F373 HydrophobicContact CB-CE1 4.32Å; F373-V409 HydrophobicContact CB-CB 4Å; F373-V409 HydrophobicContact CB-CG2 3.94Å; F373-V409 HydrophobicContact CD1-CG2 4.31Å; F373-K411 PolarHBondContact O-NZ 2.99Å; F373-W453 HydrophobicContact CD2-CH2 4.23Å; F373-W453 HydrophobicContact CE2-CH2 4.2Å |
| 374 | D | 98.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 160.4 | 176.1 | -140.7 | -41.1 | 0 | 0 | 0 | 112.7 | D335 L376 R391 W453 | D335-D374 HydrophobicContact CB-CB 4.12Å; D335-D374 PolarHBondContact N-O 2.95Å; D335-D374 PolarHBondContact O-N 2.96Å; D335-D374 VanDerWaalsContact O-N 3.14Å; D374-L376 HydrophobicContact CB-CD2 4.15Å; D374-R391 IonicContact OD1-CZ 2.7Å; D374-R391 IonicContact OD1-NE 2.8Å; D374-R391 PolarHBondContact OD1-NE 2.87Å; D374-R391 IonicContact OD1-NH2 3.52Å; D374-R391 IonicContact OD2-CZ 3.7Å; D374-R391 IonicContact OD2-NE 2.79Å; D374-R391 PolarHBondContact OD2-NE 3.36Å; D374-R391 IonicContact OD2-NH2 3.74Å; D374-R391 PolarHBondContact OD2-NH2 2.84Å; D374-W453 WeakPolarHBondContact OD2-CZ2 3.41Å |
| 375 | V | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 131.3 | 177.3 | 60 | 0 | 0 | 0 | 0 | 109.9 | I333 L334 V378 L383 R391 V394 L395 V398 | I333-V375 WeakPolarHBondContact O-CA 3.48Å; L334-V375 HydrophobicContact CD2-CB 3.95Å; L334-V375 HydrophobicContact CD2-CG2 3.78Å; V375-V378 HydrophobicContact CG2-CG2 3.51Å; V375-L383 HydrophobicContact CG1-CD1 3.87Å; V375-L383 HydrophobicContact CG2-CD1 4.04Å; V375-R391 HydrophobicContact CG1-CB 4.25Å; V375-R391 WeakPolarHBondContact CG1-O 3.46Å; V375-V394 HydrophobicContact CG1-CB 4.34Å; V375-V394 HydrophobicContact CG1-CG1 4.28Å; V375-L395 HydrophobicContact CB-CB 4.25Å; V375-L395 HydrophobicContact CB-CD1 4.22Å; V375-L395 HydrophobicContact CG1-CB 3.76Å; V375-V398 HydrophobicContact CG2-CG2 4.4Å |
| 376 | L | 98.5 | Very high | 96.5 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | -20.4 | -168.3 | -76.3 | -68.2 | 0 | 0 | 0 | 112.3 | I246 F252 I333 D335 D374 L383 Y444 | I246-L376 HydrophobicContact CD1-CB 4.48Å; I246-L376 HydrophobicContact CD1-CD1 3.59Å; I246-L376 HydrophobicContact CD1-CG 4.09Å; F252-L376 HydrophobicContact CZ-CG 4.2Å; I333-L376 HydrophobicContact CB-CB 4.04Å; I333-L376 HydrophobicContact CG2-CB 3.86Å; I333-L376 PolarHBondContact O-N 3.44Å; D335-L376 HydrophobicContact CB-CD2 3.97Å; D374-L376 HydrophobicContact CB-CD2 4.15Å; L376-L383 PolarHBondContact O-N 2.69Å; L376-Y444 HydrophobicContact CD1-CD1 3.68Å; L376-Y444 HydrophobicContact CD1-CD2 3.69Å; L376-Y444 HydrophobicContact CD1-CE1 4.16Å; L376-Y444 HydrophobicContact CD1-CE2 4.14Å; L376-Y444 HydrophobicContact CD1-CG 3.44Å; L376-Y444 VanDerWaalsContact CD1-CG 3.44Å; L376-Y444 HydrophobicContact CD2-CD2 4.14Å; L376-Y444 HydrophobicContact CD2-CE2 4.04Å |
| 377 | L | 98.5 | Very high | 97 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 139.2 | 178.3 | -176.3 | 149.3 | 0 | 0 | 0 | 109.5 | N331 C332 I333 Q381 | N331-L377 HydrophobicContact CB-CD2 4.48Å; N331-L377 WeakPolarHBondContact OD1-CD2 2.84Å; C332-L377 CarbonylContact C-O 3.58Å; C332-L377 WeakPolarHBondContact CA-O 3.29Å; C332-L377 WeakPolarHBondContact CB-O 3.5Å; I333-L377 HydrophobicContact CB-CB 3.96Å; I333-L377 HydrophobicContact CD1-CB 3.77Å; I333-L377 HydrophobicContact CD1-CD1 4.07Å; I333-L377 HydrophobicContact CD1-CG 4.44Å; I333-L377 HydrophobicContact CG1-CB 3.8Å; I333-L377 PolarHBondContact N-O 3.28Å; L377-Q381 VanDerWaalsContact CA-O 3.29Å; L377-Q381 WeakPolarHBondContact CA-O 3.2Å |
| 378 | V | 98.4 | Very high | 97.4 | Very high | 15 Ų | 15 | 34.4 Ų | 34.4 | 9% | 0.091 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 126.6 | 167.8 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | V329 N331 C332 V375 N380 Q381 L383 V394 V398 | V329-V378 HydrophobicContact CG2-CG1 4.44Å; N331-V378 CarbonylContact O-C 3.55Å; N331-V378 WeakPolarHBondContact O-CA 3.11Å; C332-V378 HydrophobicContact CB-CG2 4.46Å; V375-V378 HydrophobicContact CG2-CG2 3.51Å; V378-N380 VanDerWaalsContact C-N 3.31Å; V378-N380 PolarHBondContact O-N 3.32Å; V378-Q381 PolarHBondContact N-O 3.31Å; V378-Q381 VanDerWaalsContact N-O 3.14Å; V378-Q381 VanDerWaalsContact O-CB 3.27Å; V378-Q381 WeakPolarHBondContact O-CB 3.48Å; V378-Q381 PolarHBondContact O-N 3.31Å; V378-L383 HydrophobicContact CG2-CD1 4.2Å; V378-V394 HydrophobicContact CB-CG1 4.49Å; V378-V394 HydrophobicContact CG2-CG1 3.82Å; V378-V398 HydrophobicContact CG2-CG2 3.85Å |
| 379 | N | 97.1 | Very high | 97.6 | Very high | 65 Ų | 65 | 38.7 Ų | 38.7 | 35% | 0.348 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47 | 50.3 | 178.6 | -63.5 | -20.8 | 0 | 0 | 0 | 113.5 | N328 V330 N331 Q381 | N328-N379 PolarHBondContact O-ND2 3.26Å; N328-N379 PolarHBondContact O-OD1 3.14Å; V330-N379 PolarHBondContact N-OD1 2.9Å; N331-N379 PolarHBondContact O-N 3.22Å; N331-N379 WeakPolarHBondContact OD1-CA 3.37Å; N331-N379 PolarHBondContact OD1-N 3.1Å; N379-Q381 PolarHBondContact O-N 3.15Å; N379-Q381 VanDerWaalsContact O-N 3.08Å |
| 380 | N | 95.4 | Very high | 97.8 | Very high | 120 Ų | 120 | 43.1 Ų | 43.1 | 64% | 0.642 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | -2.2 | -175.9 | -54.4 | -44.3 | 0 | 0 | 0 | 116.2 | N331 V378 K382 | N331-N380 PolarHBondContact ND2-OD1 2.9Å; N331-N380 PolarHBondContact OD1-N 2.95Å; V378-N380 VanDerWaalsContact C-N 3.31Å; V378-N380 PolarHBondContact O-N 3.32Å; N380-K382 PolarHBondContact O-N 3.19Å |
| 381 | Q | 97 | Very high | 97.8 | Very high | 111 Ų | 111 | 43.1 Ų | 43.1 | 52% | 0.519 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 114.7 | 170.9 | -172.2 | 179.6 | -0.3 | 0 | 0 | 109.7 | L377 V378 N379 L383 | L377-Q381 VanDerWaalsContact CA-O 3.29Å; L377-Q381 WeakPolarHBondContact CA-O 3.2Å; V378-Q381 PolarHBondContact N-O 3.31Å; V378-Q381 VanDerWaalsContact N-O 3.14Å; V378-Q381 VanDerWaalsContact O-CB 3.27Å; V378-Q381 WeakPolarHBondContact O-CB 3.48Å; V378-Q381 PolarHBondContact O-N 3.31Å; N379-Q381 PolarHBondContact O-N 3.15Å; N379-Q381 VanDerWaalsContact O-N 3.08Å; Q381-L383 HydrophobicContact CG-CD2 4.17Å |
| 382 | K | 96.9 | Very high | 97.8 | Very high | 99 Ų | 99 | 44.7 Ų | 44.7 | 43% | 0.43 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 127.4 | 176.1 | -64.6 | 177.3 | -179.8 | 175.2 | 0 | 109.8 | S245 N380 | S245-K382 PolarHBondContact OG-NZ 3.15Å; N380-K382 PolarHBondContact O-N 3.19Å |
| 383 | L | 97.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | trans | -110.2 | -4.3 | -175 | -60.9 | 171.3 | 0 | 0 | 0 | 113.2 | V375 L376 V378 Q381 K385 E386 R391 V394 | V375-L383 HydrophobicContact CG1-CD1 3.87Å; V375-L383 HydrophobicContact CG2-CD1 4.04Å; L376-L383 PolarHBondContact O-N 2.69Å; V378-L383 HydrophobicContact CG2-CD1 4.2Å; Q381-L383 HydrophobicContact CG-CD2 4.17Å; L383-K385 PolarHBondContact O-N 2.89Å; L383-K385 VanDerWaalsContact O-N 3.11Å; L383-E386 HydrophobicContact CD2-CG 4.03Å; L383-E386 VanDerWaalsContact O-CB 3.32Å; L383-E386 WeakPolarHBondContact O-CB 3.18Å; L383-E386 PolarHBondContact O-N 3.22Å; L383-R391 HydrophobicContact CB-CG 4.2Å; L383-R391 WeakPolarHBondContact O-CD 3.5Å; L383-V394 HydrophobicContact CD1-CB 4.3Å; L383-V394 HydrophobicContact CD1-CG1 3.81Å | ||
| 384 | G | 95.7 | Very high | 97.8 | Very high | 16 Ų | 16 | 49.2 Ų | 49.2 | 17% | 0.165 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -29.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y444 | G384-Y444 PolarHBondContact O-N 3.11Š|
| 385 | K | 96.1 | Very high | 97.7 | Very high | 151 Ų | 151 | 49.1 Ų | 49.1 | 66% | 0.657 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -6.5 | 176.3 | -65.9 | -176.9 | 179.7 | 176 | 0 | 113.6 | L383 I443 | L383-K385 PolarHBondContact O-N 2.89Å; L383-K385 VanDerWaalsContact O-N 3.11Å; K385-I443 VanDerWaalsContact O-CG2 3.23Å; K385-I443 WeakPolarHBondContact O-CG2 3.4Å |
| 386 | E | 98.3 | Very high | 97.6 | Very high | 75 Ų | 75 | 54.3 Ų | 54.3 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -79.5 | 148.5 | 176.7 | -64.6 | -62.3 | 149.6 | 0 | 0 | 111 | L383 K390 R391 | L383-E386 HydrophobicContact CD2-CG 4.03Å; L383-E386 VanDerWaalsContact O-CB 3.32Å; L383-E386 WeakPolarHBondContact O-CB 3.18Å; L383-E386 PolarHBondContact O-N 3.22Å; E386-K390 HydrophobicContact CB-CB 4.4Å; E386-K390 HydrophobicContact CB-CG 4.43Å; E386-R391 HydrophobicContact CB-CG 4.11Å; E386-R391 PolarHBondContact O-NH1 2.54Å |
| 387 | P | 98.2 | Very high | 97.6 | Very high | 45 Ų | 45 | 58 Ų | 58 | 29% | 0.292 | 29% | 0.285 | S | S | . | . | trans | -57.4 | 147 | 173.3 | -26.2 | 35.8 | 0 | 0 | 0 | 113.3 | K389 K390 R391 | P387-K389 PolarHBondContact O-N 2.93Å; P387-K389 VanDerWaalsContact O-N 3.16Å; P387-K390 WeakPolarHBondContact O-CB 3.41Å; P387-K390 PolarHBondContact O-N 2.92Å; P387-R391 WeakPolarHBondContact O-CG 3.48Å; P387-R391 PolarHBondContact O-N 2.96Å | ||
| 388 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -53.2 | -38.5 | 179.3 | 173.1 | 62.5 | 0 | 0 | 0 | 112.7 | Y275 K390 R391 Y392 K438 P440 S442 | Y275-L388 HydrophobicContact CD2-CD2 3.92Å; Y275-L388 HydrophobicContact CD2-CG 4.26Å; Y275-L388 HydrophobicContact CE2-CG 4.43Å; L388-K390 VanDerWaalsContact C-N 3.34Å; L388-K390 PolarHBondContact O-N 3.07Å; L388-R391 PolarHBondContact O-N 2.81Å; L388-Y392 WeakPolarHBondContact O-CB 3.17Å; L388-Y392 PolarHBondContact O-N 2.84Å; L388-K438 HydrophobicContact CD2-CB 3.55Å; L388-K438 HydrophobicContact CD2-CD 3.85Å; L388-K438 HydrophobicContact CD2-CG 4.35Å; L388-P440 PolarHBondContact N-O 3.35Å; L388-P440 VanDerWaalsContact N-O 3.13Å; L388-S442 PolarHBondContact N-O 2.66Å |
| 389 | K | 97.9 | Very high | 97.5 | Very high | 92 Ų | 92 | 57 Ų | 57 | 40% | 0.4 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -54.1 | -50 | 174.1 | 179.6 | 168.5 | -177.6 | 171.5 | 0 | 111.6 | Y275 P387 Y392 E393 P440 | Y275-K389 HydrophobicContact CE2-CB 4.42Å; Y275-K389 WeakPolarHBondContact OH-CG 3.37Å; P387-K389 PolarHBondContact O-N 2.93Å; P387-K389 VanDerWaalsContact O-N 3.16Å; K389-Y392 PolarHBondContact O-N 3.13Å; K389-E393 WeakPolarHBondContact O-CG 3.5Å; K389-E393 PolarHBondContact O-N 2.51Å; K389-P440 HydrophobicContact CB-CB 4.29Å; K389-P440 PolarHBondContact N-O 3.32Å |
| 390 | K | 98.4 | Very high | 97.6 | Very high | 93 Ų | 93 | 57.1 Ų | 57.1 | 40% | 0.404 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 178.9 | -174.6 | 59.9 | 179 | 178.3 | 0 | 112 | E386 P387 L388 Y392 E393 V394 | E386-K390 HydrophobicContact CB-CB 4.4Å; E386-K390 HydrophobicContact CB-CG 4.43Å; P387-K390 WeakPolarHBondContact O-CB 3.41Å; P387-K390 PolarHBondContact O-N 2.92Å; L388-K390 VanDerWaalsContact C-N 3.34Å; L388-K390 PolarHBondContact O-N 3.07Å; K390-Y392 VanDerWaalsContact C-N 3.3Å; K390-Y392 PolarHBondContact O-N 2.82Å; K390-E393 IonicContact NZ-OE2 3.76Å; K390-E393 PolarHBondContact O-N 3.4Å; K390-V394 WeakPolarHBondContact O-CG2 3.36Å; K390-V394 PolarHBondContact O-N 2.88Å |
| 391 | R | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.2 | -39.9 | 176.7 | -56.2 | -165.1 | -50.6 | -89.2 | 2.8 | 111.3 | D374 V375 L383 E386 P387 L388 V394 L395 S442 | D374-R391 IonicContact OD1-CZ 2.7Å; D374-R391 IonicContact OD1-NE 2.8Å; D374-R391 PolarHBondContact OD1-NE 2.87Å; D374-R391 IonicContact OD1-NH2 3.52Å; D374-R391 IonicContact OD2-CZ 3.7Å; D374-R391 IonicContact OD2-NE 2.79Å; D374-R391 PolarHBondContact OD2-NE 3.36Å; D374-R391 IonicContact OD2-NH2 3.74Å; D374-R391 PolarHBondContact OD2-NH2 2.84Å; V375-R391 HydrophobicContact CG1-CB 4.25Å; V375-R391 WeakPolarHBondContact CG1-O 3.46Å; L383-R391 HydrophobicContact CB-CG 4.2Å; L383-R391 WeakPolarHBondContact O-CD 3.5Å; E386-R391 HydrophobicContact CB-CG 4.11Å; E386-R391 PolarHBondContact O-NH1 2.54Å; P387-R391 WeakPolarHBondContact O-CG 3.48Å; P387-R391 PolarHBondContact O-N 2.96Å; L388-R391 PolarHBondContact O-N 2.81Å; R391-V394 PolarHBondContact O-N 3.4Å; R391-L395 WeakPolarHBondContact O-CB 3.37Å; R391-L395 PolarHBondContact O-N 3.23Å; R391-S442 PolarHBondContact NH1-O 3.39Å |
| 392 | Y | 98 | Very high | 97.6 | Very high | 34 Ų | 34 | 52.3 Ų | 52.3 | 13% | 0.133 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 177.8 | -173.9 | -113.2 | 0 | 0 | 0 | 112.9 | L388 K389 K390 V394 L395 Q396 V408 K411 | L388-Y392 WeakPolarHBondContact O-CB 3.17Å; L388-Y392 PolarHBondContact O-N 2.84Å; K389-Y392 PolarHBondContact O-N 3.13Å; K390-Y392 VanDerWaalsContact C-N 3.3Å; K390-Y392 PolarHBondContact O-N 2.82Å; Y392-V394 VanDerWaalsContact C-N 3.31Å; Y392-V394 PolarHBondContact O-N 2.94Å; Y392-L395 HydrophobicContact CD2-CD2 4.37Å; Y392-L395 WeakPolarHBondContact O-CB 3.37Å; Y392-L395 PolarHBondContact O-N 3.04Å; Y392-Q396 WeakPolarHBondContact O-CG 3.5Å; Y392-Q396 PolarHBondContact O-N 3.34Å; Y392-V408 HydrophobicContact CD2-CG1 4.39Å; Y392-V408 HydrophobicContact CE2-CG1 3.54Å; Y392-K411 HydrophobicContact CD1-CD 4.35Å; Y392-K411 HydrophobicContact CD2-CD 3.48Å; Y392-K411 VanDerWaalsContact CD2-CD 3.48Å; Y392-K411 HydrophobicContact CD2-CG 4.19Å; Y392-K411 HydrophobicContact CE1-CB 4.48Å; Y392-K411 HydrophobicContact CE1-CD 4.3Å; Y392-K411 HydrophobicContact CE1-CG 4.38Å; Y392-K411 HydrophobicContact CE2-CB 4.49Å; Y392-K411 HydrophobicContact CE2-CD 3.4Å; Y392-K411 VanDerWaalsContact CE2-CD 3.4Å; Y392-K411 HydrophobicContact CE2-CG 3.58Å; Y392-K411 HydrophobicContact CG-CD 3.95Å |
| 393 | E | 97.9 | Very high | 97.4 | Very high | 82 Ų | 82 | 55.4 Ų | 55.4 | 38% | 0.383 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -56.7 | -45.3 | 172.7 | -70.8 | 167.3 | -170.8 | 0 | 0 | 111.2 | K389 K390 Q396 | K389-E393 WeakPolarHBondContact O-CG 3.5Å; K389-E393 PolarHBondContact O-N 2.51Å; K390-E393 IonicContact NZ-OE2 3.76Å; K390-E393 PolarHBondContact O-N 3.4Å; E393-Q396 PolarHBondContact O-N 2.87Å |
| 394 | V | 98.4 | Very high | 97.1 | Very high | 23 Ų | 23 | 55.4 Ų | 55.4 | 14% | 0.139 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.8 | -45 | 176.8 | 173.6 | 0 | 0 | 0 | 0 | 111 | V375 V378 L383 K390 R391 Y392 Q396 T397 V398 | V375-V394 HydrophobicContact CG1-CB 4.34Å; V375-V394 HydrophobicContact CG1-CG1 4.28Å; V378-V394 HydrophobicContact CB-CG1 4.49Å; V378-V394 HydrophobicContact CG2-CG1 3.82Å; L383-V394 HydrophobicContact CD1-CB 4.3Å; L383-V394 HydrophobicContact CD1-CG1 3.81Å; K390-V394 WeakPolarHBondContact O-CG2 3.36Å; K390-V394 PolarHBondContact O-N 2.88Å; R391-V394 PolarHBondContact O-N 3.4Å; Y392-V394 VanDerWaalsContact C-N 3.31Å; Y392-V394 PolarHBondContact O-N 2.94Å; V394-Q396 PolarHBondContact O-N 3.07Å; V394-T397 WeakPolarHBondContact O-CB 3.45Å; V394-T397 PolarHBondContact O-N 2.81Å; V394-T397 PolarHBondContact O-OG1 3.06Å; V394-V398 WeakPolarHBondContact O-CG2 3.12Å |
| 395 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -54.3 | -39.6 | -179.6 | 175.5 | 60.3 | 0 | 0 | 0 | 112.4 | L334 V372 V375 R391 Y392 T397 V398 F399 V408 | L334-L395 HydrophobicContact CD2-CD1 3.92Å; V372-L395 HydrophobicContact CB-CD1 4.38Å; V372-L395 HydrophobicContact CG1-CD1 3.61Å; V372-L395 HydrophobicContact CG1-CD2 4.11Å; V375-L395 HydrophobicContact CB-CB 4.25Å; V375-L395 HydrophobicContact CB-CD1 4.22Å; V375-L395 HydrophobicContact CG1-CB 3.76Å; R391-L395 WeakPolarHBondContact O-CB 3.37Å; R391-L395 PolarHBondContact O-N 3.23Å; Y392-L395 HydrophobicContact CD2-CD2 4.37Å; Y392-L395 WeakPolarHBondContact O-CB 3.37Å; Y392-L395 PolarHBondContact O-N 3.04Å; L395-T397 PolarHBondContact O-N 3.07Å; L395-T397 VanDerWaalsContact O-N 3.17Å; L395-V398 PolarHBondContact O-N 3.4Å; L395-V398 VanDerWaalsContact O-N 3.14Å; L395-F399 HydrophobicContact CD1-CE1 3.93Å; L395-V408 HydrophobicContact CD1-CG2 4.39Å; L395-V408 HydrophobicContact CD2-CG1 3.79Å; L395-V408 HydrophobicContact CD2-CG2 4.24Å; L395-V408 HydrophobicContact CG-CG1 4.25Å; L395-V408 HydrophobicContact CG-CG2 3.92Å |
| 396 | Q | 96.8 | Very high | 97.2 | Very high | 109 Ų | 109 | 49.2 Ų | 49.2 | 51% | 0.509 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -18.9 | 178.1 | -68.6 | 178.1 | -34.1 | 0 | 0 | 113.5 | Y392 E393 V394 | Y392-Q396 WeakPolarHBondContact O-CG 3.5Å; Y392-Q396 PolarHBondContact O-N 3.34Å; E393-Q396 PolarHBondContact O-N 2.87Å; V394-Q396 PolarHBondContact O-N 3.07Å |
| 397 | T | 96.9 | Very high | 97.1 | Very high | 79 Ų | 79 | 47.4 Ų | 47.4 | 49% | 0.485 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -7.2 | 178.4 | 71.9 | 0 | 0 | 0 | 0 | 113.8 | K326 V394 L395 | K326-T397 WeakPolarHBondContact CG-O 3.4Å; V394-T397 WeakPolarHBondContact O-CB 3.45Å; V394-T397 PolarHBondContact O-N 2.81Å; V394-T397 PolarHBondContact O-OG1 3.06Å; L395-T397 PolarHBondContact O-N 3.07Å; L395-T397 VanDerWaalsContact O-N 3.17Å |
| 398 | V | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -42.6 | -170.4 | 177.6 | 0 | 0 | 0 | 0 | 112.9 | F325 K326 V329 C332 L334 V375 V378 V394 L395 | F325-V398 HydrophobicContact CD1-CG1 3.93Å; F325-V398 HydrophobicContact CE1-CG1 4.05Å; K326-V398 PolarHBondContact N-O 2.99Å; V329-V398 HydrophobicContact CG1-CG1 4.13Å; V329-V398 HydrophobicContact CG2-CG1 4.42Å; C332-V398 HydrophobicContact CB-CG1 4.49Å; L334-V398 HydrophobicContact CD2-CG1 4.35Å; V375-V398 HydrophobicContact CG2-CG2 4.4Å; V378-V398 HydrophobicContact CG2-CG2 3.85Å; V394-V398 WeakPolarHBondContact O-CG2 3.12Å; L395-V398 PolarHBondContact O-N 3.4Å; L395-V398 VanDerWaalsContact O-N 3.14Å |
| 399 | F | 98.1 | Very high | 97 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 1% | 0.013 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -149.1 | 161.4 | -175.8 | 65.6 | -91.9 | 0 | 0 | 0 | 111.4 | V324 F325 L334 V372 L395 P401 I406 V408 | V324-F399 HydrophobicContact CG2-CB 4.09Å; V324-F399 HydrophobicContact CG2-CD2 4.43Å; V324-F399 CarbonylContact O-C 3.54Å; V324-F399 VanDerWaalsContact O-CA 3.31Å; V324-F399 WeakPolarHBondContact O-CA 3.33Å; V324-F399 WeakPolarHBondContact O-CB 3.44Å; F325-F399 HydrophobicContact CD1-CB 4.1Å; F325-F399 HydrophobicContact CE1-CB 4.44Å; F325-F399 HydrophobicContact CG-CB 4.41Å; L334-F399 HydrophobicContact CD1-CD1 4.22Å; L334-F399 HydrophobicContact CD1-CE1 4.06Å; V372-F399 HydrophobicContact CB-CE1 4.36Å; V372-F399 HydrophobicContact CB-CZ 4.24Å; V372-F399 HydrophobicContact CG2-CE1 4.12Å; V372-F399 HydrophobicContact CG2-CZ 3.98Å; L395-F399 HydrophobicContact CD1-CE1 3.93Å; F399-P401 HydrophobicContact CE2-CG 4.34Å; F399-I406 HydrophobicContact CD1-CD1 4.34Å; F399-I406 HydrophobicContact CD2-CD1 4.15Å; F399-I406 HydrophobicContact CD2-CG1 4.2Å; F399-I406 HydrophobicContact CD2-CG2 4.21Å; F399-I406 HydrophobicContact CE1-CD1 4.21Å; F399-I406 HydrophobicContact CE1-CG1 4.49Å; F399-I406 HydrophobicContact CE2-CB 4.46Å; F399-I406 HydrophobicContact CE2-CD1 4.04Å; F399-I406 HydrophobicContact CE2-CG1 3.7Å; F399-I406 HydrophobicContact CE2-CG2 4.28Å; F399-I406 HydrophobicContact CG-CD1 4.32Å; F399-I406 HydrophobicContact CZ-CD1 4.06Å; F399-I406 HydrophobicContact CZ-CG1 3.86Å; F399-V408 HydrophobicContact CE1-CG2 4.16Å; F399-V408 HydrophobicContact CE2-CG2 4.26Å; F399-V408 HydrophobicContact CZ-CG2 3.61Å |
| 400 | T | 97.8 | Very high | 96.8 | Very high | 66 Ų | 66 | 46.7 Ų | 46.7 | 41% | 0.405 | 24% | 0.243 | S | C | . | . | trans | -91.1 | 119.8 | 172.9 | -46.8 | 0 | 0 | 0 | 0 | 109 | V324 K326 | V324-T400 PolarHBondContact O-N 2.83Å; K326-T400 WeakPolarHBondContact CE-OG1 3.32Å; K326-T400 PolarHBondContact NZ-OG1 3.41Å | ||
| 401 | P | 97 | Very high | 96.6 | Very high | 75 Ų | 75 | 43.5 Ų | 43.5 | 49% | 0.487 | 23% | 0.229 | S | C | . | . | trans | -58.7 | 140.7 | -179.2 | -27.3 | 36.2 | 0 | 0 | 0 | 113.4 | F399 I406 H407 | F399-P401 HydrophobicContact CE2-CG 4.34Å; P401-I406 CarbonylContact C-O 3.59Å; P401-I406 WeakPolarHBondContact CA-O 3.36Å; P401-H407 HydrophobicContact CB-CB 3.94Å | ||
| 402 | V | 95.8 | Very high | 96.4 | Very high | 56 Ų | 56 | 47.5 Ų | 47.5 | 34% | 0.339 | 25% | 0.254 | S | S | . | . | B | Isolated β-bridge | trans | -125 | 117.8 | 173.1 | 177.5 | 0 | 0 | 0 | 0 | 108.8 | V324 G404 R405 I406 | V324-V402 HydrophobicContact CB-CG2 4.36Å; V324-V402 HydrophobicContact CG1-CG2 3.54Å; V402-G404 PolarHBondContact O-N 3.37Å; V402-R405 HydrophobicContact CB-CB 4.22Å; V402-R405 HydrophobicContact CG1-CB 3.99Å; V402-R405 HydrophobicContact CG1-CG 4.13Å; V402-R405 PolarHBondContact O-N 3.41Å; V402-I406 PolarHBondContact N-O 2.88Å; V402-I406 PolarHBondContact O-N 3.07Å; V402-I406 VanDerWaalsContact O-O 3.09Å |
| 403 | K | 93.1 | Very high | 96.3 | Very high | 163 Ų | 163 | 51 Ų | 51 | 71% | 0.709 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 126.9 | -179.3 | -173.6 | 179 | -179 | -177.8 | 0 | 110.2 | F341 R405 | F341-K403 HydrophobicContact CZ-CG 4.27Å; K403-R405 VanDerWaalsContact C-N 3.27Å; K403-R405 PolarHBondContact O-N 3.02Å |
| 404 | G | 91.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q367 C369 V402 | Q367-G404 PolarHBondContact NE2-O 3.22Å; C369-G404 VanDerWaalsContact CB-O 3.31Å; C369-G404 WeakPolarHBondContact CB-O 3.41Å; V402-G404 PolarHBondContact O-N 3.37Å |
| 405 | R | 95.5 | Very high | 95.8 | Very high | 37 Ų | 37 | 50.6 Ų | 50.6 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | -54.4 | 176.3 | -67.1 | -63.9 | -173.7 | 166.7 | 0.7 | 112.7 | L317 Y320 I321 C369 F370 V402 K403 | L317-R405 WeakPolarHBondContact CD1-O 3.34Å; Y320-R405 VanDerWaalsContact CE2-NH1 3.31Å; Y320-R405 VanDerWaalsContact CG-CZ 3.45Å; I321-R405 HydrophobicContact CG2-CB 4.28Å; C369-R405 CarbonylContact C-O 3.35Å; C369-R405 VanDerWaalsContact CA-O 3.31Å; C369-R405 WeakPolarHBondContact CA-O 3.31Å; F370-R405 PolarHBondContact N-O 3.47Å; V402-R405 HydrophobicContact CB-CB 4.22Å; V402-R405 HydrophobicContact CG1-CB 3.99Å; V402-R405 HydrophobicContact CG1-CG 4.13Å; V402-R405 PolarHBondContact O-N 3.41Å; K403-R405 VanDerWaalsContact C-N 3.27Å; K403-R405 PolarHBondContact O-N 3.02Å |
| 406 | I | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 130.6 | 175.9 | -172.1 | 175.2 | 0 | 0 | 0 | 110.1 | I321 V324 F370 V372 F399 P401 V402 | I321-I406 HydrophobicContact CB-CG2 4.09Å; I321-I406 HydrophobicContact CD1-CD1 4.24Å; I321-I406 HydrophobicContact CG2-CB 3.81Å; I321-I406 HydrophobicContact CG2-CG2 3.66Å; V324-I406 HydrophobicContact CG2-CG2 3.61Å; F370-I406 HydrophobicContact CB-CG1 4.33Å; F370-I406 HydrophobicContact CD1-CD1 4.19Å; F370-I406 HydrophobicContact CD1-CG1 4.37Å; F370-I406 VanDerWaalsContact O-CA 3.29Å; F370-I406 WeakPolarHBondContact O-CA 3.44Å; F370-I406 WeakPolarHBondContact O-CG1 3.35Å; V372-I406 HydrophobicContact CG2-CD1 4.24Å; V372-I406 HydrophobicContact CG2-CG1 4.06Å; F399-I406 HydrophobicContact CD1-CD1 4.34Å; F399-I406 HydrophobicContact CD2-CD1 4.15Å; F399-I406 HydrophobicContact CD2-CG1 4.2Å; F399-I406 HydrophobicContact CD2-CG2 4.21Å; F399-I406 HydrophobicContact CE1-CD1 4.21Å; F399-I406 HydrophobicContact CE1-CG1 4.49Å; F399-I406 HydrophobicContact CE2-CB 4.46Å; F399-I406 HydrophobicContact CE2-CD1 4.04Å; F399-I406 HydrophobicContact CE2-CG1 3.7Å; F399-I406 HydrophobicContact CE2-CG2 4.28Å; F399-I406 HydrophobicContact CG-CD1 4.32Å; F399-I406 HydrophobicContact CZ-CD1 4.06Å; F399-I406 HydrophobicContact CZ-CG1 3.86Å; P401-I406 CarbonylContact C-O 3.59Å; P401-I406 WeakPolarHBondContact CA-O 3.36Å; V402-I406 PolarHBondContact N-O 2.88Å; V402-I406 PolarHBondContact O-N 3.07Å; V402-I406 VanDerWaalsContact O-O 3.09Å |
| 407 | H | 96.3 | Very high | 95.4 | Very high | 37 Ų | 37 | 50.2 Ų | 50.2 | 17% | 0.171 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 162.8 | 173.4 | 70.2 | 90.5 | 0 | 0 | 0 | 111.4 | F348 F370 C371 V372 P401 | F348-H407 AromaticContact CE2-NE2 3.9Å; F348-H407 AromaticContact CZ-NE2 3.37Å; F348-H407 WeakPolarHBondContact CZ-NE2 3.49Å; F370-H407 PolarHBondContact O-N 3.36Å; F370-H407 VanDerWaalsContact O-N 3.1Å; C371-H407 PolarHBondContact SG-NE2 3.45Å; V372-H407 PolarHBondContact N-O 2.92Å; P401-H407 HydrophobicContact CB-CB 3.94Å |
| 408 | V | 97.8 | Very high | 95.3 | Very high | 22 Ų | 22 | 50.3 Ų | 50.3 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 136.2 | 171.2 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | V372 Y392 L395 F399 P410 | V372-V408 CarbonylContact O-C 3.47Å; V372-V408 WeakPolarHBondContact O-CA 3.36Å; Y392-V408 HydrophobicContact CD2-CG1 4.39Å; Y392-V408 HydrophobicContact CE2-CG1 3.54Å; L395-V408 HydrophobicContact CD1-CG2 4.39Å; L395-V408 HydrophobicContact CD2-CG1 3.79Å; L395-V408 HydrophobicContact CD2-CG2 4.24Å; L395-V408 HydrophobicContact CG-CG1 4.25Å; L395-V408 HydrophobicContact CG-CG2 3.92Å; F399-V408 HydrophobicContact CE1-CG2 4.16Å; F399-V408 HydrophobicContact CE2-CG2 4.26Å; F399-V408 HydrophobicContact CZ-CG2 3.61Å; V408-P410 WeakPolarHBondContact O-CD 3.15Å |
| 409 | V | 97 | Very high | 95 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 123 | 172.2 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | E277 L280 C371 V372 F373 K411 | E277-V409 HydrophobicContact CB-CG1 4.13Å; L280-V409 HydrophobicContact CD1-CG2 3.7Å; C371-V409 HydrophobicContact CB-CG2 3.99Å; V372-V409 PolarHBondContact O-N 2.67Å; F373-V409 HydrophobicContact CB-CB 4Å; F373-V409 HydrophobicContact CB-CG2 3.94Å; F373-V409 HydrophobicContact CD1-CG2 4.31Å; V409-K411 WeakPolarHBondContact O-CG 3.34Å |
| 410 | P | 93.8 | Very high | 94.8 | Very high | 96 Ų | 96 | 51.8 Ų | 51.8 | 62% | 0.623 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 143.9 | 176.8 | -23 | 34.2 | 0 | 0 | 0 | 111.3 | V408 | V408-P410 WeakPolarHBondContact O-CD 3.15Š|
| 411 | K | 93.6 | Very high | 94.6 | Very high | 26 Ų | 26 | 48.7 Ų | 48.7 | 11% | 0.113 | 27% | 0.265 | C | S | . | . | trans | -132.1 | 136.6 | 178.2 | -43.7 | -168.4 | 178.9 | -169.2 | 0 | 109.4 | L276 E277 F373 Y392 V409 | L276-K411 WeakPolarHBondContact O-CA 3.45Å; E277-K411 VanDerWaalsContact CD-CE 3.5Å; E277-K411 HydrophobicContact CG-CB 4.28Å; E277-K411 HydrophobicContact CG-CD 4.07Å; E277-K411 HydrophobicContact CG-CG 3.82Å; E277-K411 WeakPolarHBondContact OE1-CD 3.16Å; E277-K411 WeakPolarHBondContact OE1-CE 3.34Å; E277-K411 IonicContact OE1-NZ 3.37Å; E277-K411 PolarHBondContact OE1-NZ 2.85Å; F373-K411 PolarHBondContact O-NZ 2.99Å; Y392-K411 HydrophobicContact CD1-CD 4.35Å; Y392-K411 HydrophobicContact CD2-CD 3.48Å; Y392-K411 VanDerWaalsContact CD2-CD 3.48Å; Y392-K411 HydrophobicContact CD2-CG 4.19Å; Y392-K411 HydrophobicContact CE1-CB 4.48Å; Y392-K411 HydrophobicContact CE1-CD 4.3Å; Y392-K411 HydrophobicContact CE1-CG 4.38Å; Y392-K411 HydrophobicContact CE2-CB 4.49Å; Y392-K411 HydrophobicContact CE2-CD 3.4Å; Y392-K411 VanDerWaalsContact CE2-CD 3.4Å; Y392-K411 HydrophobicContact CE2-CG 3.58Å; Y392-K411 HydrophobicContact CG-CD 3.95Å; V409-K411 WeakPolarHBondContact O-CG 3.34Å | ||
| 412 | T | 94.8 | Very high | 94.5 | Very high | 84 Ų | 84 | 48.7 Ų | 48.7 | 52% | 0.515 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 133.2 | 173.6 | 35.8 | 0 | 0 | 0 | 0 | 109.7 | Y275 L276 | Y275-T412 CarbonylContact C-O 3.59Å; Y275-T412 WeakPolarHBondContact CA-O 3.5Å; L276-T412 PolarHBondContact N-O 3.37Å; L276-T412 PolarHBondContact O-N 3.33Å; L276-T412 VanDerWaalsContact O-N 3.08Å |
| 413 | E | 95.9 | Very high | 94.4 | Very high | 108 Ų | 108 | 47 Ų | 47 | 51% | 0.505 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 121 | 174.4 | -171.9 | 168.2 | -149.8 | 0 | 0 | 108.9 | P273 F274 Y275 | P273-E413 HydrophobicContact CB-CG 3.86Å; F274-E413 WeakPolarHBondContact O-CA 3.4Å; Y275-E413 HydrophobicContact CD1-CB 4.1Å; Y275-E413 HydrophobicContact CE1-CB 3.98Å; Y275-E413 HydrophobicContact CE1-CG 4.28Å |
| 414 | M | 94.2 | Very high | 94.4 | Very high | 63 Ų | 63 | 39.3 Ų | 39.3 | 31% | 0.31 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 170.9 | -178.5 | -54 | -58.2 | -80.6 | 0 | 0 | 109.4 | P273 F274 L276 D419 | P273-M414 CarbonylContact C-O 3.58Å; P273-M414 WeakPolarHBondContact CA-O 3.27Å; F274-M414 HydrophobicContact CE2-CB 4.1Å; F274-M414 PolarHBondContact N-O 3.13Å; F274-M414 PolarHBondContact O-N 2.85Å; L276-M414 HydrophobicContact CD1-CB 4.1Å; L276-M414 HydrophobicContact CD1-CG 3.64Å; L276-M414 HydrophobicContact CG-CB 4.34Å; L276-M414 HydrophobicContact CG-CG 4.04Å; M414-D419 HydrophobicContact CB-CB 3.69Å; M414-D419 HydrophobicContact CE-CB 3.52Å; M414-D419 VanDerWaalsContact CE-OD1 3.26Å; M414-D419 WeakPolarHBondContact CE-OD1 3.5Å; M414-D419 HydrophobicContact CG-CB 4.03Å |
| 415 | G | 90.9 | Very high | 94.4 | Very high | 34 Ų | 34 | 39.9 Ų | 39.9 | 35% | 0.351 | 22% | 0.222 | S | C | . | . | trans | -137.6 | -13.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | D419 | G415-D419 PolarHBondContact N-OD2 3.13Š| ||
| 416 | T | 93.6 | Very high | 94.2 | Very high | 60 Ų | 60 | 42.4 Ų | 42.4 | 37% | 0.368 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -119 | 157.9 | -168.7 | 74.1 | 0 | 0 | 0 | 0 | 113.1 | E266 Q418 D419 V420 | E266-T416 WeakPolarHBondContact OE1-CA 3.49Å; T416-Q418 PolarHBondContact O-N 2.99Å; T416-Q418 PolarHBondContact OG1-N 3.42Å; T416-D419 WeakPolarHBondContact CB-OD2 3.27Å; T416-D419 PolarHBondContact N-OD2 3.05Å; T416-D419 WeakPolarHBondContact O-CB 3.37Å; T416-D419 PolarHBondContact O-N 2.9Å; T416-D419 PolarHBondContact OG1-N 2.89Å; T416-D419 PolarHBondContact OG1-OD1 2.79Å; T416-D419 PolarHBondContact OG1-OD2 3.34Å; T416-V420 PolarHBondContact O-N 2.8Å |
| 417 | M | 94.2 | Very high | 93.7 | Very high | 40 Ų | 40 | 42.5 Ų | 42.5 | 20% | 0.197 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.4 | -38.2 | 169.1 | -179.8 | -168.7 | 69.1 | 0 | 0 | 111.9 | I262 I265 E266 D419 V420 V421 I623 | I262-M417 HydrophobicContact CG2-CG 4.04Å; I265-M417 HydrophobicContact CG2-CB 4.23Å; E266-M417 PolarHBondContact OE1-N 3.06Å; M417-D419 VanDerWaalsContact C-N 3.31Å; M417-D419 PolarHBondContact O-N 3.01Å; M417-V420 WeakPolarHBondContact O-CB 3.48Å; M417-V420 PolarHBondContact O-N 2.87Å; M417-V421 WeakPolarHBondContact O-CG2 3.48Å; M417-V421 PolarHBondContact O-N 2.73Å; M417-I623 HydrophobicContact CE-CB 4.15Å; M417-I623 HydrophobicContact CE-CD1 4.33Å; M417-I623 HydrophobicContact CE-CG2 3.63Å; M417-I623 HydrophobicContact CG-CD1 4.43Å; M417-I623 HydrophobicContact SD-CD1 3.91Å; M417-I623 HydrophobicContact SD-CG2 4.15Å |
| 418 | Q | 93.2 | Very high | 93.2 | Very high | 82 Ų | 82 | 41 Ų | 41 | 38% | 0.383 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.6 | -36.8 | -177.9 | -170.9 | 59.1 | 45.9 | 0 | 0 | 111.6 | T416 V420 V421 N422 | T416-Q418 PolarHBondContact O-N 2.99Å; T416-Q418 PolarHBondContact OG1-N 3.42Å; Q418-V420 VanDerWaalsContact C-N 3.27Å; Q418-V420 PolarHBondContact O-N 3.07Å; Q418-V421 PolarHBondContact O-N 2.99Å; Q418-N422 PolarHBondContact NE2-OD1 2.96Å; Q418-N422 PolarHBondContact O-N 2.97Å; Q418-N422 PolarHBondContact O-ND2 2.98Å; Q418-N422 PolarHBondContact O-OD1 3.2Å |
| 419 | D | 93.5 | Very high | 92.5 | Very high | 34 Ų | 34 | 43.6 Ų | 43.6 | 18% | 0.182 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.2 | -41.7 | 174.6 | -58.3 | -36.2 | 0 | 0 | 0 | 111.5 | M414 G415 T416 M417 N422 A423 | M414-D419 HydrophobicContact CB-CB 3.69Å; M414-D419 HydrophobicContact CE-CB 3.52Å; M414-D419 VanDerWaalsContact CE-OD1 3.26Å; M414-D419 WeakPolarHBondContact CE-OD1 3.5Å; M414-D419 HydrophobicContact CG-CB 4.03Å; G415-D419 PolarHBondContact N-OD2 3.13Å; T416-D419 WeakPolarHBondContact CB-OD2 3.27Å; T416-D419 PolarHBondContact N-OD2 3.05Å; T416-D419 WeakPolarHBondContact O-CB 3.37Å; T416-D419 PolarHBondContact O-N 2.9Å; T416-D419 PolarHBondContact OG1-N 2.89Å; T416-D419 PolarHBondContact OG1-OD1 2.79Å; T416-D419 PolarHBondContact OG1-OD2 3.34Å; M417-D419 VanDerWaalsContact C-N 3.31Å; M417-D419 PolarHBondContact O-N 3.01Å; D419-N422 PolarHBondContact O-N 2.95Å; D419-A423 VanDerWaalsContact O-CB 3.32Å; D419-A423 WeakPolarHBondContact O-CB 3.18Å; D419-A423 PolarHBondContact O-N 2.93Å |
| 420 | V | 94.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.7 | -40.1 | 177.7 | 177 | 0 | 0 | 0 | 0 | 111.3 | I262 I265 F274 L276 T416 M417 Q418 L424 I435 I456 | I262-V420 HydrophobicContact CG2-CG1 4.39Å; I265-V420 HydrophobicContact CG1-CG2 4.12Å; I265-V420 HydrophobicContact CG2-CG2 4.02Å; F274-V420 HydrophobicContact CE2-CG2 3.61Å; F274-V420 HydrophobicContact CZ-CG2 3.7Å; L276-V420 HydrophobicContact CD2-CG2 4.23Å; T416-V420 PolarHBondContact O-N 2.8Å; M417-V420 WeakPolarHBondContact O-CB 3.48Å; M417-V420 PolarHBondContact O-N 2.87Å; Q418-V420 VanDerWaalsContact C-N 3.27Å; Q418-V420 PolarHBondContact O-N 3.07Å; V420-L424 WeakPolarHBondContact O-CB 3.39Å; V420-L424 PolarHBondContact O-N 3.02Å; V420-I435 HydrophobicContact CG1-CD1 3.82Å; V420-I435 WeakPolarHBondContact O-CD1 3.25Å; V420-I456 HydrophobicContact CG1-CD1 3.34Å |
| 421 | V | 93.5 | Very high | 91 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.9 | -47.7 | 175.9 | 172 | 0 | 0 | 0 | 0 | 110.6 | I262 M417 Q418 L424 N425 L621 I623 | I262-V421 HydrophobicContact CG2-CG2 4.01Å; M417-V421 WeakPolarHBondContact O-CG2 3.48Å; M417-V421 PolarHBondContact O-N 2.73Å; Q418-V421 PolarHBondContact O-N 2.99Å; V421-L424 PolarHBondContact O-N 3.13Å; V421-N425 PolarHBondContact O-N 2.89Å; V421-N425 PolarHBondContact O-ND2 2.94Å; V421-L621 HydrophobicContact CG1-CB 4.2Å; V421-L621 HydrophobicContact CG1-CD2 4.33Å; V421-L621 HydrophobicContact CG1-CG 4.12Å; V421-L621 VanDerWaalsContact CG1-O 3.25Å; V421-L621 WeakPolarHBondContact CG1-O 3.48Å; V421-L621 HydrophobicContact CG2-CD2 4.04Å; V421-L621 HydrophobicContact CG2-CG 4.48Å; V421-I623 HydrophobicContact CG2-CD1 3.57Å; V421-I623 HydrophobicContact CG2-CG1 3.99Å |
| 422 | N | 93.4 | Very high | 90.6 | Very high | 74 Ų | 74 | 49.4 Ų | 49.4 | 40% | 0.396 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.8 | -49.7 | 178.7 | -66.2 | -11.7 | 0 | 0 | 0 | 110.8 | Q418 D419 L424 N425 D426 | Q418-N422 PolarHBondContact NE2-OD1 2.96Å; Q418-N422 PolarHBondContact O-N 2.97Å; Q418-N422 PolarHBondContact O-ND2 2.98Å; Q418-N422 PolarHBondContact O-OD1 3.2Å; D419-N422 PolarHBondContact O-N 2.95Å; N422-L424 VanDerWaalsContact C-N 3.27Å; N422-L424 PolarHBondContact O-N 3.42Å; N422-N425 WeakPolarHBondContact O-CB 3.33Å; N422-N425 PolarHBondContact O-N 3.13Å; N422-D426 PolarHBondContact O-N 3.48Å |
| 423 | A | 94.1 | Very high | 90.3 | Very high | 22 Ų | 22 | 46.8 Ų | 46.8 | 18% | 0.182 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -33.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | L276 D419 A427 I435 | L276-A423 HydrophobicContact CD1-CB 3.7Å; D419-A423 VanDerWaalsContact O-CB 3.32Å; D419-A423 WeakPolarHBondContact O-CB 3.18Å; D419-A423 PolarHBondContact O-N 2.93Å; A423-A427 WeakPolarHBondContact O-CB 3.45Å; A423-A427 PolarHBondContact O-N 3.38Å; A423-I435 HydrophobicContact CB-CD1 4.26Å; A423-I435 HydrophobicContact CB-CG2 4.35Å |
| 424 | L | 93.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.8 | -40.1 | 174.1 | -179.3 | 63.4 | 0 | 0 | 0 | 111.7 | I262 V420 V421 N422 A427 I428 I435 I456 P458 V461 L464 L621 | I262-L424 HydrophobicContact CD1-CD2 3.96Å; V420-L424 WeakPolarHBondContact O-CB 3.39Å; V420-L424 PolarHBondContact O-N 3.02Å; V421-L424 PolarHBondContact O-N 3.13Å; N422-L424 VanDerWaalsContact C-N 3.27Å; N422-L424 PolarHBondContact O-N 3.42Å; L424-A427 PolarHBondContact O-N 3.33Å; L424-I428 HydrophobicContact CG-CD1 4.26Å; L424-I428 VanDerWaalsContact O-CG1 3.29Å; L424-I428 WeakPolarHBondContact O-CG1 3.38Å; L424-I428 PolarHBondContact O-N 2.89Å; L424-I435 HydrophobicContact CB-CD1 4.07Å; L424-I456 HydrophobicContact CD1-CG2 4.23Å; L424-I456 HydrophobicContact CD2-CG2 3.92Å; L424-P458 HydrophobicContact CD1-CG 4.27Å; L424-V461 HydrophobicContact CD2-CG2 4.24Å; L424-L464 HydrophobicContact CD2-CD1 4.43Å; L424-L621 HydrophobicContact CD2-CD2 4.05Å |
| 425 | N | 91.1 | Very high | 90.3 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 7% | 0.07 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.3 | -43.4 | 175.7 | -69.9 | -23.2 | 0 | 0 | 0 | 111 | V421 N422 A427 I428 D429 H620 L621 | V421-N425 PolarHBondContact O-N 2.89Å; V421-N425 PolarHBondContact O-ND2 2.94Å; N422-N425 WeakPolarHBondContact O-CB 3.33Å; N422-N425 PolarHBondContact O-N 3.13Å; N425-A427 VanDerWaalsContact C-N 3.3Å; N425-A427 PolarHBondContact O-N 3.25Å; N425-I428 WeakPolarHBondContact O-CB 3.26Å; N425-I428 PolarHBondContact O-N 3.44Å; N425-D429 PolarHBondContact O-N 3.28Å; N425-H620 WeakPolarHBondContact OD1-CA 3.39Å; N425-L621 PolarHBondContact ND2-O 3.08Å; N425-L621 PolarHBondContact OD1-N 3.22Å |
| 426 | D | 90.8 | Very high | 90.7 | Very high | 91 Ų | 91 | 38.2 Ų | 38.2 | 49% | 0.487 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.6 | -43 | 173.7 | -66 | -20.9 | 0 | 0 | 0 | 111.2 | N422 I428 D429 N430 | N422-D426 PolarHBondContact O-N 3.48Å; D426-I428 VanDerWaalsContact C-N 3.33Å; D426-I428 PolarHBondContact O-N 3.15Å; D426-D429 PolarHBondContact O-N 2.99Å; D426-N430 VanDerWaalsContact O-CB 3.3Å; D426-N430 WeakPolarHBondContact O-CB 3.23Å; D426-N430 VanDerWaalsContact O-CG 3.3Å; D426-N430 PolarHBondContact O-N 2.97Å; D426-N430 PolarHBondContact O-ND2 3.32Å |
| 427 | A | 88.5 | Confident | 90.9 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.4 | -38.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A423 L424 N425 R431 E432 I435 | A423-A427 WeakPolarHBondContact O-CB 3.45Å; A423-A427 PolarHBondContact O-N 3.38Å; L424-A427 PolarHBondContact O-N 3.33Å; N425-A427 VanDerWaalsContact C-N 3.3Å; N425-A427 PolarHBondContact O-N 3.25Å; A427-R431 PolarHBondContact O-N 2.92Å; A427-R431 VanDerWaalsContact O-N 3.11Å; A427-E432 HydrophobicContact CB-CB 4.09Å; A427-E432 WeakPolarHBondContact O-CB 3.49Å; A427-E432 PolarHBondContact O-N 3.43Å; A427-I435 HydrophobicContact CB-CG2 3.88Å |
| 428 | I | 84.8 | Confident | 91 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.8 | -43.2 | 175.7 | -70.9 | 164.5 | 0 | 0 | 0 | 111 | L424 N425 D426 R431 P458 L464 | L424-I428 HydrophobicContact CG-CD1 4.26Å; L424-I428 VanDerWaalsContact O-CG1 3.29Å; L424-I428 WeakPolarHBondContact O-CG1 3.38Å; L424-I428 PolarHBondContact O-N 2.89Å; N425-I428 WeakPolarHBondContact O-CB 3.26Å; N425-I428 PolarHBondContact O-N 3.44Å; D426-I428 VanDerWaalsContact C-N 3.33Å; D426-I428 PolarHBondContact O-N 3.15Å; I428-R431 PolarHBondContact O-N 3.34Å; I428-R431 VanDerWaalsContact O-N 3.16Å; I428-R431 PolarHBondContact O-NH1 3.41Å; I428-P458 HydrophobicContact CD1-CB 4.16Å; I428-P458 HydrophobicContact CD1-CG 3.89Å; I428-P458 HydrophobicContact CG1-CB 4.22Å; I428-P458 HydrophobicContact CG1-CG 3.49Å; I428-P458 VanDerWaalsContact CG1-CG 3.49Å; I428-L464 HydrophobicContact CD1-CD1 4.32Å |
| 429 | D | 84.1 | Confident | 91.2 | Very high | 77 Ų | 77 | 31.7 Ų | 31.7 | 41% | 0.412 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -66.6 | -42.3 | 179.5 | -71.7 | -16.5 | 0 | 0 | 0 | 111.4 | N425 D426 R431 H620 | N425-D429 PolarHBondContact O-N 3.28Å; D426-D429 PolarHBondContact O-N 2.99Å; D429-R431 PolarHBondContact O-N 2.99Å; D429-H620 IonicContact OD1-CD2 2.9Å; D429-H620 IonicContact OD1-CE1 3.81Å; D429-H620 IonicContact OD1-NE2 2.8Å; D429-H620 PolarHBondContact OD1-NE2 2.82Å; D429-H620 IonicContact OD2-CE1 3.24Å; D429-H620 PolarHBondContact OD2-CE1 2.8Å; D429-H620 VanDerWaalsContact OD2-CE1 3.24Å; D429-H620 IonicContact OD2-NE2 2.92Å; D429-H620 PolarHBondContact OD2-NE2 2.92Å |
| 430 | N | 80.2 | Confident | 91.4 | Very high | 108 Ų | 108 | 30.5 Ų | 30.5 | 58% | 0.578 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | 1.6 | 174.8 | -66.9 | -38.3 | 0 | 0 | 0 | 113.7 | D426 E432 | D426-N430 VanDerWaalsContact O-CB 3.3Å; D426-N430 WeakPolarHBondContact O-CB 3.23Å; D426-N430 VanDerWaalsContact O-CG 3.3Å; D426-N430 PolarHBondContact O-N 2.97Å; D426-N430 PolarHBondContact O-ND2 3.32Å; N430-E432 HydrophobicContact CB-CG 3.84Å; N430-E432 PolarHBondContact O-N 3.3Å |
| 431 | R | 79.6 | Confident | 91.6 | Very high | 79 Ų | 79 | 36.2 Ų | 36.2 | 30% | 0.298 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 28.2 | 179.1 | -47.8 | -60.7 | -179.1 | -142.3 | 3.1 | 113.6 | Q350 A427 I428 D429 K615 | Q350-R431 PolarHBondContact NE2-O 3.48Å; A427-R431 PolarHBondContact O-N 2.92Å; A427-R431 VanDerWaalsContact O-N 3.11Å; I428-R431 PolarHBondContact O-N 3.34Å; I428-R431 VanDerWaalsContact O-N 3.16Å; I428-R431 PolarHBondContact O-NH1 3.41Å; D429-R431 PolarHBondContact O-N 2.99Å; R431-K615 HydrophobicContact CB-CG 4.35Å; R431-K615 VanDerWaalsContact O-CE 3.28Å; R431-K615 WeakPolarHBondContact O-CE 3.46Å |
| 432 | E | 85.2 | Confident | 91.8 | Very high | 61 Ų | 61 | 36.6 Ų | 36.6 | 29% | 0.285 | 19% | 0.19 | S | C | . | . | trans | -76.5 | 171.5 | 178.1 | -58.1 | -179 | 158.8 | 0 | 0 | 111.5 | T278 A427 N430 G434 | T278-E432 HydrophobicContact CG2-CB 4.23Å; T278-E432 HydrophobicContact CG2-CG 4.08Å; T278-E432 WeakPolarHBondContact CG2-OE1 3.36Å; T278-E432 WeakPolarHBondContact CG2-OE2 3.18Å; T278-E432 PolarHBondContact OG1-OE1 3.14Å; T278-E432 PolarHBondContact OG1-OE2 3.31Å; T278-E432 VanDerWaalsContact OG1-OE2 3.05Å; A427-E432 HydrophobicContact CB-CB 4.09Å; A427-E432 WeakPolarHBondContact O-CB 3.49Å; A427-E432 PolarHBondContact O-N 3.43Å; N430-E432 HydrophobicContact CB-CG 3.84Å; N430-E432 PolarHBondContact O-N 3.3Å; E432-G434 PolarHBondContact O-N 2.9Å | ||
| 433 | E | 88 | Confident | 92 | Very high | 29 Ų | 29 | 36.2 Ų | 36.2 | 14% | 0.136 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -73.8 | -19.9 | 179.7 | -149.5 | -170.5 | 142.7 | 0 | 0 | 113 | K279 D281 K457 | K279-E433 HydrophobicContact CB-CB 4.42Å; K279-E433 HydrophobicContact CD-CB 4.4Å; K279-E433 HydrophobicContact CG-CB 4.38Å; K279-E433 IonicContact NZ-OE1 3.6Å; K279-E433 PolarHBondContact NZ-OE1 2.77Å; K279-E433 IonicContact NZ-OE2 3.69Å; K279-E433 PolarHBondContact NZ-OE2 2.97Å; K279-E433 VanDerWaalsContact O-CB 3.25Å; K279-E433 WeakPolarHBondContact O-CB 3.42Å; D281-E433 WeakPolarHBondContact CA-OE2 3.5Å; D281-E433 HydrophobicContact CB-CB 4.09Å; D281-E433 HydrophobicContact CB-CG 4.19Å; E433-K457 WeakPolarHBondContact O-CG 3.44Å; E433-K457 WeakPolarHBondContact OE1-CE 3.5Å; E433-K457 IonicContact OE1-NZ 3.31Å; E433-K457 PolarHBondContact OE1-NZ 3.34Å |
| 434 | G | 93.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | trans | 136.8 | -155 | -171.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | K279 E432 I456 | K279-G434 VanDerWaalsContact CB-C 3.46Å; K279-G434 WeakPolarHBondContact CB-O 3.37Å; K279-G434 PolarHBondContact N-O 3.4Å; E432-G434 PolarHBondContact O-N 2.9Å; G434-I456 WeakPolarHBondContact CA-O 3.42Å | ||
| 435 | I | 97 | Very high | 92.3 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 155 | -175 | 61.6 | 176.8 | 0 | 0 | 0 | 112 | E277 V420 A423 L424 A427 K455 I456 | E277-I435 WeakPolarHBondContact O-CA 3.39Å; V420-I435 HydrophobicContact CG1-CD1 3.82Å; V420-I435 WeakPolarHBondContact O-CD1 3.25Å; A423-I435 HydrophobicContact CB-CD1 4.26Å; A423-I435 HydrophobicContact CB-CG2 4.35Å; L424-I435 HydrophobicContact CB-CD1 4.07Å; A427-I435 HydrophobicContact CB-CG2 3.88Å; I435-K455 WeakPolarHBondContact O-CA 3.45Å; I435-I456 HydrophobicContact CD1-CB 4.33Å; I435-I456 HydrophobicContact CD1-CD1 4.22Å; I435-I456 HydrophobicContact CG1-CB 3.8Å; I435-I456 HydrophobicContact CG1-CD1 4.43Å; I435-I456 PolarHBondContact N-O 3.2Å; I435-I456 PolarHBondContact O-N 3.46Å |
| 436 | M | 98.1 | Very high | 92.5 | Very high | 21 Ų | 21 | 39.5 Ų | 39.5 | 10% | 0.103 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 134.9 | 170.6 | -59.7 | -67 | -63.9 | 0 | 0 | 108.3 | A257 L276 E277 K279 L454 K455 | A257-M436 HydrophobicContact CB-CE 3.61Å; L276-M436 WeakPolarHBondContact CA-O 3.36Å; E277-M436 HydrophobicContact CB-CB 4.24Å; E277-M436 PolarHBondContact N-O 2.99Å; E277-M436 PolarHBondContact O-N 3.39Å; K279-M436 HydrophobicContact CB-CG 3.96Å; K279-M436 HydrophobicContact CB-SD 4.21Å; K279-M436 HydrophobicContact CD-SD 4.03Å; K279-M436 HydrophobicContact CG-CG 4.1Å; K279-M436 HydrophobicContact CG-SD 3.79Å; M436-L454 WeakPolarHBondContact CA-O 3.36Å; M436-K455 HydrophobicContact SD-CB 3.75Å |
| 437 | V | 97.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 124.5 | 173.6 | -162.4 | 0 | 0 | 0 | 0 | 107 | I265 M269 F274 Y275 L276 L454 I456 | I265-V437 HydrophobicContact CD1-CB 4.3Å; I265-V437 HydrophobicContact CD1-CG1 4.14Å; I265-V437 HydrophobicContact CD1-CG2 4.25Å; I265-V437 HydrophobicContact CG1-CG1 4.21Å; M269-V437 HydrophobicContact CE-CB 3.56Å; M269-V437 HydrophobicContact CE-CG1 3.3Å; M269-V437 VanDerWaalsContact CE-O 3.25Å; M269-V437 WeakPolarHBondContact CE-O 3.48Å; M269-V437 HydrophobicContact CG-CG1 4.31Å; F274-V437 HydrophobicContact CB-CG1 4.13Å; F274-V437 HydrophobicContact CD2-CG1 3.32Å; F274-V437 HydrophobicContact CE2-CG1 3.84Å; F274-V437 HydrophobicContact CG-CG1 3.76Å; Y275-V437 CarbonylContact O-C 3.56Å; Y275-V437 WeakPolarHBondContact O-CA 2.93Å; L276-V437 HydrophobicContact CD2-CB 4.14Å; L276-V437 HydrophobicContact CD2-CG1 3.85Å; L276-V437 HydrophobicContact CD2-CG2 3.71Å; V437-L454 HydrophobicContact CB-CB 4.31Å; V437-L454 PolarHBondContact N-O 2.91Å; V437-L454 PolarHBondContact O-N 3.28Å; V437-I456 HydrophobicContact CG2-CD1 3.61Å; V437-I456 HydrophobicContact CG2-CG1 4.3Å |
| 438 | K | 97.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.009 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 136.7 | -175 | -59.7 | -178.6 | -174.1 | 166.9 | 0 | 112.5 | Y275 E277 L388 P440 G452 W453 | Y275-K438 PolarHBondContact N-O 2.97Å; Y275-K438 PolarHBondContact O-N 3.36Å; E277-K438 WeakPolarHBondContact OE1-CD 3.47Å; E277-K438 WeakPolarHBondContact OE1-CE 3.32Å; E277-K438 IonicContact OE1-NZ 2.67Å; E277-K438 PolarHBondContact OE1-NZ 3.42Å; E277-K438 WeakPolarHBondContact OE2-CE 2.91Å; E277-K438 IonicContact OE2-NZ 2.85Å; E277-K438 PolarHBondContact OE2-NZ 2.93Å; L388-K438 HydrophobicContact CD2-CB 3.55Å; L388-K438 HydrophobicContact CD2-CD 3.85Å; L388-K438 HydrophobicContact CD2-CG 4.35Å; K438-P440 WeakPolarHBondContact O-CD 3.48Å; K438-G452 CarbonylContact C-O 3.54Å; K438-G452 VanDerWaalsContact CA-O 3.27Å; K438-G452 WeakPolarHBondContact CA-O 3.39Å; K438-W453 HydrophobicContact CD-CD2 4.09Å; K438-W453 HydrophobicContact CD-CG 4.17Å; K438-W453 HydrophobicContact CD-CZ2 4.34Å; K438-W453 HydrophobicContact CG-CD2 4.39Å; K438-W453 HydrophobicContact CG-CG 3.97Å |
| 439 | D | 97.5 | Very high | 93.4 | Very high | 42 Ų | 42 | 49.1 Ų | 49.1 | 23% | 0.225 | 24% | 0.235 | C | C | . | . | trans | -70.8 | 118.7 | 171.5 | 172.9 | 7 | 0 | 0 | 0 | 110.3 | M269 L441 S442 G452 | M269-D439 HydrophobicContact SD-CB 4.24Å; D439-L441 PolarHBondContact O-N 2.95Å; D439-L441 WeakPolarHBondContact OD1-CB 3.36Å; D439-L441 PolarHBondContact OD1-N 3.09Å; D439-S442 WeakPolarHBondContact O-CB 3.32Å; D439-S442 PolarHBondContact O-N 3.34Å; D439-S442 VanDerWaalsContact O-N 3.13Å; D439-S442 PolarHBondContact O-OG 3.17Å; D439-G452 PolarHBondContact N-O 2.87Å | ||
| 440 | P | 97.6 | Very high | 93.5 | Very high | 9 Ų | 9 | 46.7 Ų | 46.7 | 6% | 0.058 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -25.3 | 178.3 | -24.6 | 36.3 | 0 | 0 | 0 | 113.9 | P273 Y275 L388 K389 K438 | P273-P440 VanDerWaalsContact O-CD 3.25Å; P273-P440 WeakPolarHBondContact O-CD 3.16Å; P273-P440 WeakPolarHBondContact O-CG 3.35Å; Y275-P440 HydrophobicContact CD2-CB 4.04Å; Y275-P440 HydrophobicContact CD2-CG 3.85Å; Y275-P440 HydrophobicContact CE1-CG 4.47Å; Y275-P440 HydrophobicContact CE2-CB 3.52Å; Y275-P440 HydrophobicContact CE2-CG 3.75Å; Y275-P440 HydrophobicContact CG-CG 4.27Å; L388-P440 PolarHBondContact N-O 3.35Å; L388-P440 VanDerWaalsContact N-O 3.13Å; K389-P440 HydrophobicContact CB-CB 4.29Å; K389-P440 PolarHBondContact N-O 3.32Å; K438-P440 WeakPolarHBondContact O-CD 3.48Å |
| 441 | L | 97.1 | Very high | 94 | Very high | 120 Ų | 120 | 46 Ų | 46 | 63% | 0.628 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -7.7 | -179.4 | -58.4 | -177.5 | 0 | 0 | 0 | 113 | D439 | D439-L441 PolarHBondContact O-N 2.95Å; D439-L441 WeakPolarHBondContact OD1-CB 3.36Å; D439-L441 PolarHBondContact OD1-N 3.09Å |
| 442 | S | 97.3 | Very high | 94.7 | Very high | 10 Ų | 10 | 42.9 Ų | 42.9 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -68.2 | 134 | -178.9 | 65.3 | 0 | 0 | 0 | 0 | 113.1 | L388 R391 D439 | L388-S442 PolarHBondContact N-O 2.66Å; R391-S442 PolarHBondContact NH1-O 3.39Å; D439-S442 WeakPolarHBondContact O-CB 3.32Å; D439-S442 PolarHBondContact O-N 3.34Å; D439-S442 VanDerWaalsContact O-N 3.13Å; D439-S442 PolarHBondContact O-OG 3.17Å |
| 443 | I | 97.8 | Very high | 95.3 | Very high | 65 Ų | 65 | 40.1 Ų | 40.1 | 33% | 0.333 | 20% | 0.201 | S | C | . | . | P | Polyproline II helix | trans | -79.2 | 163.5 | 169.2 | 69.2 | 171.4 | 0 | 0 | 0 | 110.8 | K385 K445 | K385-I443 VanDerWaalsContact O-CG2 3.23Å; K385-I443 WeakPolarHBondContact O-CG2 3.4Å; I443-K445 HydrophobicContact CD1-CG 4.25Å; I443-K445 HydrophobicContact CG1-CD 4.48Å; I443-K445 HydrophobicContact CG1-CG 3.89Å; I443-K445 PolarHBondContact O-N 2.81Å |
| 444 | Y | 98 | Very high | 95.8 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -80.9 | 116.6 | 175.7 | -163.2 | -79.1 | 0 | 0 | 0 | 110.7 | I246 F252 P254 M255 D335 L376 G384 P446 W453 | I246-Y444 HydrophobicContact CD1-CD1 4.24Å; I246-Y444 HydrophobicContact CD1-CE1 4.43Å; F252-Y444 HydrophobicContact CD2-CE1 4.21Å; F252-Y444 AromaticContact CE2-CE1 3.87Å; F252-Y444 HydrophobicContact CE2-CE1 3.87Å; F252-Y444 AromaticContact CE2-CZ 3.86Å; F252-Y444 WeakPolarHBondContact CE2-OH 3.35Å; P254-Y444 VanDerWaalsContact CA-OH 3.29Å; P254-Y444 WeakPolarHBondContact CA-OH 3.4Å; M255-Y444 HydrophobicContact CB-CD1 4.23Å; M255-Y444 HydrophobicContact CB-CD2 4.35Å; M255-Y444 HydrophobicContact CB-CE1 3.77Å; M255-Y444 HydrophobicContact CB-CE2 3.93Å; M255-Y444 HydrophobicContact CB-CG 4.49Å; M255-Y444 PolarHBondContact N-OH 3.39Å; M255-Y444 HydrophobicContact SD-CD2 4.44Å; M255-Y444 HydrophobicContact SD-CG 4.44Å; D335-Y444 WeakPolarHBondContact OD2-CE2 3.29Å; D335-Y444 PolarHBondContact OD2-OH 3.04Å; L376-Y444 HydrophobicContact CD1-CD1 3.68Å; L376-Y444 HydrophobicContact CD1-CD2 3.69Å; L376-Y444 HydrophobicContact CD1-CE1 4.16Å; L376-Y444 HydrophobicContact CD1-CE2 4.14Å; L376-Y444 HydrophobicContact CD1-CG 3.44Å; L376-Y444 VanDerWaalsContact CD1-CG 3.44Å; L376-Y444 HydrophobicContact CD2-CD2 4.14Å; L376-Y444 HydrophobicContact CD2-CE2 4.04Å; G384-Y444 PolarHBondContact O-N 3.11Å; Y444-P446 HydrophobicContact CD1-CG 4.21Å; Y444-P446 HydrophobicContact CE1-CG 4.31Å; Y444-P446 WeakPolarHBondContact O-CD 3.22Å; Y444-W453 HydrophobicContact CD2-CZ2 4.39Å; Y444-W453 AromaticContact CE2-CH2 3.97Å; Y444-W453 HydrophobicContact CE2-CH2 3.97Å; Y444-W453 HydrophobicContact CE2-CZ2 4.3Å |
| 445 | K | 96.1 | Very high | 96 | Very high | 71 Ų | 71 | 41.1 Ų | 41.1 | 31% | 0.309 | 21% | 0.206 | S | C | . | . | trans | -113.7 | 103.5 | 179.3 | -61.1 | -170.2 | -170.7 | 175.9 | 0 | 111.8 | M255 I443 K448 E451 | M255-K445 WeakPolarHBondContact CB-O 3.23Å; M255-K445 WeakPolarHBondContact CG-O 3.15Å; M255-K445 PolarHBondContact SD-N 3.39Å; M255-K445 VanDerWaalsContact SD-N 3.43Å; I443-K445 HydrophobicContact CD1-CG 4.25Å; I443-K445 HydrophobicContact CG1-CD 4.48Å; I443-K445 HydrophobicContact CG1-CG 3.89Å; I443-K445 PolarHBondContact O-N 2.81Å; K445-K448 HydrophobicContact CB-CB 3.77Å; K445-K448 HydrophobicContact CB-CG 3.69Å; K445-K448 HydrophobicContact CD-CG 4.44Å; K445-K448 PolarHBondContact O-N 3.06Å; K445-E451 HydrophobicContact CD-CB 3.88Å; K445-E451 HydrophobicContact CD-CG 4Å; K445-E451 IonicContact NZ-OE2 3.59Å; K445-E451 PolarHBondContact NZ-OE2 3.39Å | ||
| 446 | P | 95.6 | Very high | 95.9 | Very high | 25 Ų | 25 | 41 Ų | 41 | 16% | 0.162 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 137.8 | 178.9 | -29.1 | 38.3 | 0 | 0 | 0 | 113.9 | N222 V223 I246 K253 Y444 K448 | N222-P446 HydrophobicContact CB-CB 4.09Å; V223-P446 HydrophobicContact CG1-CG 4.18Å; I246-P446 HydrophobicContact CD1-CG 4.14Å; I246-P446 HydrophobicContact CG1-CG 4.39Å; K253-P446 CarbonylContact O-C 3.51Å; K253-P446 WeakPolarHBondContact O-CA 3.1Å; K253-P446 VanDerWaalsContact O-CB 3.28Å; K253-P446 WeakPolarHBondContact O-CB 3.27Å; Y444-P446 HydrophobicContact CD1-CG 4.21Å; Y444-P446 HydrophobicContact CE1-CG 4.31Å; Y444-P446 WeakPolarHBondContact O-CD 3.22Å; P446-K448 PolarHBondContact O-N 2.91Å |
| 447 | D | 94.7 | Very high | 95.6 | Very high | 52 Ų | 52 | 40.7 Ų | 40.7 | 28% | 0.278 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 4.8 | -177.6 | -142.9 | 17.2 | 0 | 0 | 0 | 115.9 | K206 N222 K253 P254 | K206-D447 IonicContact NZ-OD2 3.78Å; K206-D447 PolarHBondContact NZ-OD2 3.26Å; N222-D447 HydrophobicContact CB-CB 4.44Å; N222-D447 PolarHBondContact OD1-OD2 2.88Å; K253-D447 HydrophobicContact CB-CB 3.56Å; K253-D447 HydrophobicContact CG-CB 4.12Å; K253-D447 PolarHBondContact O-N 2.85Å; P254-D447 PolarHBondContact O-N 3.35Å |
| 448 | K | 93.8 | Very high | 95.2 | Very high | 111 Ų | 111 | 41 Ų | 41 | 48% | 0.483 | 21% | 0.205 | S | C | . | . | trans | -88.1 | 144.8 | 178.9 | -62.1 | -59.3 | -176.8 | 173.1 | 0 | 111.6 | L256 K445 P446 E451 | L256-K448 WeakPolarHBondContact CA-O 3.39Å; L256-K448 WeakPolarHBondContact CB-O 3.26Å; L256-K448 PolarHBondContact N-O 3.44Å; K445-K448 HydrophobicContact CB-CB 3.77Å; K445-K448 HydrophobicContact CB-CG 3.69Å; K445-K448 HydrophobicContact CD-CG 4.44Å; K445-K448 PolarHBondContact O-N 3.06Å; P446-K448 PolarHBondContact O-N 2.91Å; K448-E451 HydrophobicContact CB-CG 3.93Å | ||
| 449 | R | 93.9 | Very high | 94.5 | Very high | 136 Ų | 136 | 42.7 Ų | 42.7 | 51% | 0.513 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 123.9 | -178.7 | -176.5 | -177.2 | -60.9 | -75.9 | -0.4 | 110.9 | L256 A257 A258 | L256-R449 HydrophobicContact CB-CB 4.16Å; L256-R449 HydrophobicContact CB-CG 4.4Å; L256-R449 WeakPolarHBondContact O-CA 3.49Å; A257-R449 WeakPolarHBondContact O-CG 3.37Å; A257-R449 PolarHBondContact O-NH1 3.22Å; A258-R449 HydrophobicContact CB-CG 4.08Å |
| 450 | G | 87 | Confident | 93.9 | Very high | 26 Ų | 26 | 44.7 Ų | 44.7 | 27% | 0.268 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 86.1 | 5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L256 A258 G452 | L256-G450 PolarHBondContact O-N 2.84Å; A258-G450 VanDerWaalsContact CB-CA 3.4Å; G450-G452 PolarHBondContact O-N 3.1Å |
| 451 | E | 91.1 | Very high | 93.3 | Very high | 94 Ų | 94 | 45.3 Ų | 45.3 | 44% | 0.439 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 56.6 | 179.2 | -66 | -74.4 | 148.1 | 0 | 0 | 111.3 | M255 K445 K448 | M255-E451 HydrophobicContact CE-CB 4.17Å; M255-E451 WeakPolarHBondContact CE-O 3.38Å; K445-E451 HydrophobicContact CD-CB 3.88Å; K445-E451 HydrophobicContact CD-CG 4Å; K445-E451 IonicContact NZ-OE2 3.59Å; K445-E451 PolarHBondContact NZ-OE2 3.39Å; K448-E451 HydrophobicContact CB-CG 3.93Å |
| 452 | G | 94.1 | Very high | 92.4 | Very high | 14 Ų | 14 | 46.5 Ų | 46.5 | 14% | 0.144 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 102.9 | -8.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K438 D439 G450 | K438-G452 CarbonylContact C-O 3.54Å; K438-G452 VanDerWaalsContact CA-O 3.27Å; K438-G452 WeakPolarHBondContact CA-O 3.39Å; D439-G452 PolarHBondContact N-O 2.87Å; G450-G452 PolarHBondContact O-N 3.1Å |
| 453 | W | 97.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 122.5 | 173.6 | -71.2 | 18.3 | 0 | 0 | 0 | 111 | M255 A257 A258 R284 F373 D374 K438 Y444 | M255-W453 HydrophobicContact CB-CE3 4.37Å; M255-W453 HydrophobicContact CB-CH2 4.39Å; M255-W453 HydrophobicContact CB-CZ3 4.18Å; M255-W453 HydrophobicContact CE-CB 4.43Å; M255-W453 HydrophobicContact CE-CD2 4.32Å; M255-W453 HydrophobicContact CE-CG 3.94Å; M255-W453 HydrophobicContact CG-CD2 4.19Å; M255-W453 HydrophobicContact CG-CE3 4.19Å; M255-W453 HydrophobicContact CG-CZ3 4.48Å; M255-W453 HydrophobicContact SD-CD2 4.03Å; M255-W453 HydrophobicContact SD-CG 4.29Å; M255-W453 HydrophobicContact SD-CZ2 4.22Å; A257-W453 WeakPolarHBondContact CA-O 3.5Å; A257-W453 HydrophobicContact CB-CB 4.2Å; A258-W453 PolarHBondContact N-O 2.9Å; R284-W453 VanDerWaalsContact NH2-CZ3 3.32Å; F373-W453 HydrophobicContact CD2-CH2 4.23Å; F373-W453 HydrophobicContact CE2-CH2 4.2Å; D374-W453 WeakPolarHBondContact OD2-CZ2 3.41Å; K438-W453 HydrophobicContact CD-CD2 4.09Å; K438-W453 HydrophobicContact CD-CG 4.17Å; K438-W453 HydrophobicContact CD-CZ2 4.34Å; K438-W453 HydrophobicContact CG-CD2 4.39Å; K438-W453 HydrophobicContact CG-CG 3.97Å; Y444-W453 HydrophobicContact CD2-CZ2 4.39Å; Y444-W453 AromaticContact CE2-CH2 3.97Å; Y444-W453 HydrophobicContact CE2-CH2 3.97Å; Y444-W453 HydrophobicContact CE2-CZ2 4.3Å |
| 454 | L | 97.6 | Very high | 90.8 | Very high | 11 Ų | 11 | 45.5 Ų | 45.5 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 153.4 | 176.7 | -56.3 | 178.6 | 0 | 0 | 0 | 110.2 | A258 A260 I265 Q268 M269 M436 V437 | A258-L454 HydrophobicContact CB-CD2 3.89Å; A258-L454 CarbonylContact O-C 3.47Å; A258-L454 VanDerWaalsContact O-CA 3.31Å; A258-L454 WeakPolarHBondContact O-CA 3.4Å; A260-L454 HydrophobicContact CB-CB 3.73Å; A260-L454 HydrophobicContact CB-CD1 3.95Å; A260-L454 HydrophobicContact CB-CG 4.33Å; I265-L454 HydrophobicContact CD1-CD1 3.63Å; Q268-L454 HydrophobicContact CB-CD1 3.88Å; M269-L454 HydrophobicContact CE-CB 4.13Å; M269-L454 HydrophobicContact CE-CD1 3.52Å; M269-L454 HydrophobicContact CE-CG 3.77Å; M269-L454 HydrophobicContact SD-CD1 4.24Å; M436-L454 WeakPolarHBondContact CA-O 3.36Å; V437-L454 HydrophobicContact CB-CB 4.31Å; V437-L454 PolarHBondContact N-O 2.91Å; V437-L454 PolarHBondContact O-N 3.28Å |
| 455 | K | 97.1 | Very high | 90.2 | Very high | 41 Ų | 41 | 45.4 Ų | 45.4 | 18% | 0.178 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 142 | 174.5 | 64 | 175.6 | -179.2 | 164.6 | 0 | 109.9 | A257 A258 A260 I435 M436 Y460 | A257-K455 HydrophobicContact CB-CB 3.93Å; A257-K455 HydrophobicContact CB-CD 4.32Å; A257-K455 HydrophobicContact CB-CG 4.02Å; A258-K455 WeakPolarHBondContact O-CG 3.27Å; A258-K455 PolarHBondContact O-N 2.95Å; A260-K455 PolarHBondContact N-O 3.2Å; I435-K455 WeakPolarHBondContact O-CA 3.45Å; M436-K455 HydrophobicContact SD-CB 3.75Å; K455-Y460 HydrophobicContact CD-CE2 4.47Å; K455-Y460 HydrophobicContact CG-CE2 4.42Å; K455-Y460 PolarHBondContact NZ-OH 2.89Å |
| 456 | I | 95.4 | Very high | 89.8 | Confident | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 132.1 | 177.8 | -55.2 | 169.3 | 0 | 0 | 0 | 106.7 | A260 I262 I265 V420 L424 G434 I435 V437 | A260-I456 HydrophobicContact CB-CD1 3.81Å; A260-I456 HydrophobicContact CB-CG1 3.43Å; A260-I456 VanDerWaalsContact CB-CG1 3.43Å; I262-I456 HydrophobicContact CD1-CG2 3.73Å; I262-I456 HydrophobicContact CG1-CD1 4.09Å; I262-I456 HydrophobicContact CG1-CG2 3.81Å; I265-I456 HydrophobicContact CD1-CD1 4.45Å; V420-I456 HydrophobicContact CG1-CD1 3.34Å; L424-I456 HydrophobicContact CD1-CG2 4.23Å; L424-I456 HydrophobicContact CD2-CG2 3.92Å; G434-I456 WeakPolarHBondContact CA-O 3.42Å; I435-I456 HydrophobicContact CD1-CB 4.33Å; I435-I456 HydrophobicContact CD1-CD1 4.22Å; I435-I456 HydrophobicContact CG1-CB 3.8Å; I435-I456 HydrophobicContact CG1-CD1 4.43Å; I435-I456 PolarHBondContact N-O 3.2Å; I435-I456 PolarHBondContact O-N 3.46Å; V437-I456 HydrophobicContact CG2-CD1 3.61Å; V437-I456 HydrophobicContact CG2-CG1 4.3Å |
| 457 | K | 92.9 | Very high | 89.6 | Confident | 13 Ų | 13 | 44.3 Ų | 44.3 | 6% | 0.057 | 23% | 0.228 | C | C | . | . | trans | -136.1 | 153.5 | 178.8 | -59.2 | -171 | 174.5 | -166.9 | 0 | 109.9 | K279 E433 E459 Y460 | K279-K457 HydrophobicContact CD-CG 4.38Å; E433-K457 WeakPolarHBondContact O-CG 3.44Å; E433-K457 WeakPolarHBondContact OE1-CE 3.5Å; E433-K457 IonicContact OE1-NZ 3.31Å; E433-K457 PolarHBondContact OE1-NZ 3.34Å; K457-E459 HydrophobicContact CB-CG 4.31Å; K457-E459 VanDerWaalsContact CB-OE2 3.27Å; K457-E459 WeakPolarHBondContact CB-OE2 3.48Å; K457-E459 HydrophobicContact CD-CG 4.46Å; K457-E459 WeakPolarHBondContact CD-OE1 3.3Å; K457-E459 IonicContact NZ-OE1 3.75Å; K457-E459 PolarHBondContact NZ-OE1 3.2Å; K457-E459 PolarHBondContact O-N 3.44Å; K457-Y460 HydrophobicContact CB-CD2 3.84Å; K457-Y460 HydrophobicContact CB-CE2 3.87Å; K457-Y460 HydrophobicContact CB-CG 4.36Å; K457-Y460 HydrophobicContact CD-CE2 3.88Å; K457-Y460 HydrophobicContact CG-CD2 4.14Å; K457-Y460 HydrophobicContact CG-CE2 3.7Å; K457-Y460 PolarHBondContact O-N 2.7Å | ||
| 458 | P | 88.1 | Confident | 89.6 | Confident | 7 Ų | 7 | 41.9 Ų | 41.9 | 5% | 0.045 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -55.5 | -37.3 | 178.5 | -25.3 | 36.1 | 0 | 0 | 0 | 112.5 | L424 I428 Y460 V461 M465 A617 | L424-P458 HydrophobicContact CD1-CG 4.27Å; I428-P458 HydrophobicContact CD1-CB 4.16Å; I428-P458 HydrophobicContact CD1-CG 3.89Å; I428-P458 HydrophobicContact CG1-CB 4.22Å; I428-P458 HydrophobicContact CG1-CG 3.49Å; I428-P458 VanDerWaalsContact CG1-CG 3.49Å; P458-Y460 PolarHBondContact O-N 2.93Å; P458-Y460 VanDerWaalsContact O-N 3.08Å; P458-V461 PolarHBondContact O-N 3.38Å; P458-M465 HydrophobicContact CB-SD 3.85Å; P458-A617 HydrophobicContact CB-CB 3.4Å; P458-A617 VanDerWaalsContact CB-CB 3.4Å; P458-A617 HydrophobicContact CG-CB 3.86Å |
| 459 | E | 84.5 | Confident | 89.8 | Confident | 38 Ų | 38 | 37.8 Ų | 37.8 | 18% | 0.178 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -67.5 | -11.1 | -178.9 | 70.7 | -102.7 | -147.8 | 0 | 0 | 115.3 | K457 M465 | K457-E459 HydrophobicContact CB-CG 4.31Å; K457-E459 VanDerWaalsContact CB-OE2 3.27Å; K457-E459 WeakPolarHBondContact CB-OE2 3.48Å; K457-E459 HydrophobicContact CD-CG 4.46Å; K457-E459 WeakPolarHBondContact CD-OE1 3.3Å; K457-E459 IonicContact NZ-OE1 3.75Å; K457-E459 PolarHBondContact NZ-OE1 3.2Å; K457-E459 PolarHBondContact O-N 3.44Å; E459-M465 HydrophobicContact CB-CE 4.12Å; E459-M465 HydrophobicContact CB-CG 4.07Å; E459-M465 HydrophobicContact CB-SD 3.99Å |
| 460 | Y | 85.1 | Confident | 90 | Very high | 83 Ų | 83 | 31.3 Ų | 31.3 | 33% | 0.325 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -92 | -6.2 | 176.3 | -56.5 | -27.9 | 0 | 0 | 0 | 113 | V259 K455 K457 P458 | V259-Y460 HydrophobicContact CG1-CD2 3.61Å; V259-Y460 HydrophobicContact CG1-CE2 4.07Å; V259-Y460 HydrophobicContact CG1-CG 3.97Å; V259-Y460 HydrophobicContact CG2-CD2 4.23Å; V259-Y460 HydrophobicContact CG2-CE2 3.82Å; K455-Y460 HydrophobicContact CD-CE2 4.47Å; K455-Y460 HydrophobicContact CG-CE2 4.42Å; K455-Y460 PolarHBondContact NZ-OH 2.89Å; K457-Y460 HydrophobicContact CB-CD2 3.84Å; K457-Y460 HydrophobicContact CB-CE2 3.87Å; K457-Y460 HydrophobicContact CB-CG 4.36Å; K457-Y460 HydrophobicContact CD-CE2 3.88Å; K457-Y460 HydrophobicContact CG-CD2 4.14Å; K457-Y460 HydrophobicContact CG-CE2 3.7Å; K457-Y460 PolarHBondContact O-N 2.7Å; P458-Y460 PolarHBondContact O-N 2.93Å; P458-Y460 VanDerWaalsContact O-N 3.08Å |
| 461 | V | 84 | Confident | 90.5 | Very high | 23 Ų | 23 | 30 Ų | 30 | 14% | 0.139 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -107.8 | 122.8 | -177.8 | -171.5 | 0 | 0 | 0 | 0 | 109.3 | I262 L424 P458 G463 L464 L621 | I262-V461 HydrophobicContact CD1-CG2 3.58Å; L424-V461 HydrophobicContact CD2-CG2 4.24Å; P458-V461 PolarHBondContact O-N 3.38Å; V461-G463 PolarHBondContact O-N 3.32Å; V461-L464 HydrophobicContact CB-CB 4.44Å; V461-L464 HydrophobicContact CB-CD1 3.52Å; V461-L464 HydrophobicContact CB-CG 3.82Å; V461-L464 HydrophobicContact CG1-CD1 3.72Å; V461-L464 HydrophobicContact CG1-CG 3.8Å; V461-L464 HydrophobicContact CG2-CD1 3.96Å; V461-L464 PolarHBondContact O-N 2.82Å; V461-L621 HydrophobicContact CG1-CD1 3.84Å; V461-L621 HydrophobicContact CG1-CD2 4.31Å |
| 462 | D | 79.4 | Confident | 90.9 | Very high | 145 Ų | 145 | 25.6 Ų | 25.6 | 78% | 0.775 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 130.5 | -179.5 | -70.8 | -22.8 | 0 | 0 | 0 | 111.1 | L464 | D462-L464 PolarHBondContact O-N 3.03Š|
| 463 | G | 78.6 | Confident | 91.1 | Very high | 46 Ų | 46 | 24.9 Ų | 24.9 | 47% | 0.474 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -6.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | V461 | V461-G463 PolarHBondContact O-N 3.32Š|
| 464 | L | 82.3 | Confident | 91 | Very high | 8 Ų | 8 | 24.8 Ų | 24.8 | 4% | 0.042 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -29.3 | 176.7 | -67.9 | -168.4 | 0 | 0 | 0 | 113.9 | L424 I428 V461 D462 R619 L621 | L424-L464 HydrophobicContact CD2-CD1 4.43Å; I428-L464 HydrophobicContact CD1-CD1 4.32Å; V461-L464 HydrophobicContact CB-CB 4.44Å; V461-L464 HydrophobicContact CB-CD1 3.52Å; V461-L464 HydrophobicContact CB-CG 3.82Å; V461-L464 HydrophobicContact CG1-CD1 3.72Å; V461-L464 HydrophobicContact CG1-CG 3.8Å; V461-L464 HydrophobicContact CG2-CD1 3.96Å; V461-L464 PolarHBondContact O-N 2.82Å; D462-L464 PolarHBondContact O-N 3.03Å; L464-R619 HydrophobicContact CD2-CB 4.48Å; L464-L621 HydrophobicContact CD1-CB 4.03Å; L464-L621 HydrophobicContact CD2-CB 4.12Å; L464-L621 HydrophobicContact CD2-CD1 4.42Å |
| 465 | M | 86 | Confident | 91 | Very high | 6 Ų | 6 | 24.3 Ų | 24.3 | 3% | 0.03 | 13% | 0.13 | C | C | . | . | B | Isolated β-bridge | trans | -85.4 | 134.8 | 179.4 | -56.7 | -56.3 | -72.4 | 0 | 0 | 110.6 | P458 E459 E467 K566 A567 L616 A617 | P458-M465 HydrophobicContact CB-SD 3.85Å; E459-M465 HydrophobicContact CB-CE 4.12Å; E459-M465 HydrophobicContact CB-CG 4.07Å; E459-M465 HydrophobicContact CB-SD 3.99Å; M465-E467 PolarHBondContact O-N 3.24Å; M465-K566 HydrophobicContact CB-CD 4.24Å; M465-K566 HydrophobicContact CB-CG 3.98Å; M465-K566 HydrophobicContact CG-CD 3.99Å; M465-K566 HydrophobicContact CG-CG 3.97Å; M465-A567 WeakPolarHBondContact CE-O 3.46Å; M465-L616 HydrophobicContact CE-CB 3.89Å; M465-A617 HydrophobicContact CE-CB 4.29Å; M465-A617 HydrophobicContact SD-CB 3.71Å |
| 466 | D | 87 | Confident | 90.8 | Very high | 7 Ų | 7 | 22.9 Ų | 22.9 | 4% | 0.037 | 12% | 0.124 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 123.5 | 160.1 | -73.5 | -38.5 | 0 | 0 | 0 | 108.2 | F608 K611 L616 S618 R619 | D466-F608 HydrophobicContact CB-CD1 3.95Å; D466-F608 HydrophobicContact CB-CE1 3.65Å; D466-K611 IonicContact OD1-NZ 3.49Å; D466-K611 IonicContact OD2-NZ 2.69Å; D466-K611 PolarHBondContact OD2-NZ 3.49Å; D466-L616 HydrophobicContact CB-CD2 4.33Å; D466-L616 PolarHBondContact N-O 3.18Å; D466-S618 PolarHBondContact OD2-OG 2.87Å; D466-R619 IonicContact OD1-CZ 3.32Å; D466-R619 IonicContact OD1-NE 3.11Å; D466-R619 PolarHBondContact OD1-NE 2.84Å; D466-R619 IonicContact OD1-NH2 3.3Å; D466-R619 PolarHBondContact OD1-NH2 3.2Å |
| 467 | E | 90.4 | Very high | 90.4 | Very high | 65 Ų | 65 | 25.5 Ų | 25.5 | 30% | 0.304 | 13% | 0.134 | S | C | . | . | P | Polyproline II helix | trans | -103.1 | 144.7 | -176.1 | -66.7 | 170.3 | 158.5 | 0 | 0 | 110.3 | M465 Q564 K566 | M465-E467 PolarHBondContact O-N 3.24Å; E467-Q564 HydrophobicContact CB-CG 4.11Å; E467-Q564 PolarHBondContact OE2-NE2 2.91Å; E467-K566 WeakPolarHBondContact OE1-CE 3.22Å; E467-K566 IonicContact OE1-NZ 3.33Å |
| 468 | L | 95.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 125.9 | -173.6 | -58.6 | 95.5 | 0 | 0 | 0 | 110.3 | L470 F509 V565 L582 M600 L616 | L468-L470 HydrophobicContact CB-CD2 4.14Å; L468-L470 HydrophobicContact CB-CG 4.19Å; L468-L470 PolarHBondContact O-N 3.38Å; L468-F509 HydrophobicContact CD2-CE1 4.16Å; L468-V565 PolarHBondContact N-O 2.93Å; L468-V565 PolarHBondContact O-N 3.29Å; L468-L582 HydrophobicContact CD1-CD1 4.47Å; L468-L582 HydrophobicContact CD1-CD2 4.3Å; L468-L582 HydrophobicContact CD2-CD2 4.21Å; L468-M600 HydrophobicContact CB-SD 3.87Å; L468-M600 HydrophobicContact CD2-CE 4.14Å; L468-M600 HydrophobicContact CD2-SD 3.83Å; L468-M600 HydrophobicContact CG-SD 4.29Å; L468-L616 HydrophobicContact CD1-CD1 3.57Å; L468-L616 HydrophobicContact CD1-CD2 4.06Å; L468-L616 HydrophobicContact CD1-CG 4.46Å |
| 469 | D | 97.4 | Very high | 89.2 | Confident | 25 Ų | 25 | 30.9 Ų | 30.9 | 13% | 0.134 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 100.5 | 174.5 | -75.5 | -40.5 | 0 | 0 | 0 | 109.9 | I562 R591 K594 M600 | D469-I562 HydrophobicContact CB-CG2 3.82Å; D469-R591 IonicContact OD1-CZ 3.7Å; D469-R591 IonicContact OD1-NH1 3.04Å; D469-R591 PolarHBondContact OD1-NH1 3.43Å; D469-R591 IonicContact OD2-CZ 3.97Å; D469-R591 IonicContact OD2-NH1 2.84Å; D469-R591 PolarHBondContact OD2-NH1 2.88Å; D469-K594 WeakPolarHBondContact OD2-CE 3.4Å; D469-K594 IonicContact OD2-NZ 2.73Å; D469-K594 PolarHBondContact OD2-NZ 3.27Å; D469-M600 WeakPolarHBondContact O-CB 3.3Å; D469-M600 WeakPolarHBondContact O-CG 3.17Å; D469-M600 PolarHBondContact O-N 3.37Å |
| 470 | L | 98.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 148 | -174.8 | -55.3 | -176.7 | 0 | 0 | 0 | 111.5 | L468 C491 I493 F509 I512 I562 I563 V565 L582 M600 | L468-L470 HydrophobicContact CB-CD2 4.14Å; L468-L470 HydrophobicContact CB-CG 4.19Å; L468-L470 PolarHBondContact O-N 3.38Å; L470-C491 HydrophobicContact CB-CB 4.04Å; L470-C491 HydrophobicContact CD1-CB 3.98Å; L470-I493 HydrophobicContact CD2-CD1 4.15Å; L470-I493 HydrophobicContact CD2-CG1 3.78Å; L470-F509 HydrophobicContact CD1-CD1 3.78Å; L470-F509 HydrophobicContact CD1-CE1 4.13Å; L470-F509 HydrophobicContact CD2-CD1 3.87Å; L470-F509 HydrophobicContact CD2-CE1 4.18Å; L470-I512 HydrophobicContact CD1-CD1 4.45Å; L470-I562 CarbonylContact O-C 3.48Å; L470-I562 WeakPolarHBondContact O-CA 3.34Å; L470-I563 PolarHBondContact N-O 3.3Å; L470-I563 WeakPolarHBondContact O-CG1 3.39Å; L470-I563 PolarHBondContact O-N 3.49Å; L470-V565 HydrophobicContact CB-CG2 4.46Å; L470-V565 HydrophobicContact CD1-CB 4.2Å; L470-V565 HydrophobicContact CD1-CG1 4.43Å; L470-V565 HydrophobicContact CD1-CG2 3.99Å; L470-V565 HydrophobicContact CG-CB 4.49Å; L470-V565 HydrophobicContact CG-CG2 4.24Å; L470-L582 HydrophobicContact CD1-CD1 4.04Å; L470-M600 HydrophobicContact CD2-CG 3.81Å; L470-M600 HydrophobicContact CD2-SD 3.34Å; L470-M600 WeakPolarHBondContact CD2-SD 3.39Å |
| 471 | L | 98.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 136.4 | 174.7 | -167.5 | 69.4 | 0 | 0 | 0 | 111 | V473 C491 G492 F506 P557 I562 W596 C599 | L471-V473 HydrophobicContact CD2-CG1 4.42Å; L471-V473 PolarHBondContact O-N 3.16Å; L471-C491 CarbonylContact O-C 3.46Å; L471-C491 VanDerWaalsContact O-CA 3.23Å; L471-C491 WeakPolarHBondContact O-CA 3.5Å; L471-G492 PolarHBondContact N-O 2.84Å; L471-G492 VanDerWaalsContact N-O 3.16Å; L471-G492 PolarHBondContact O-N 3.02Å; L471-F506 HydrophobicContact CB-CD1 4.39Å; L471-F506 HydrophobicContact CB-CE1 4.26Å; L471-F506 HydrophobicContact CD2-CD1 3.84Å; L471-F506 HydrophobicContact CD2-CE1 3.42Å; L471-F506 VanDerWaalsContact CD2-CE1 3.42Å; L471-F506 HydrophobicContact CD2-CE2 4.35Å; L471-F506 HydrophobicContact CD2-CG 4.45Å; L471-F506 HydrophobicContact CD2-CZ 3.71Å; L471-F506 HydrophobicContact CG-CE1 4.47Å; L471-P557 HydrophobicContact CD2-CB 3.68Å; L471-I562 HydrophobicContact CD1-CG1 3.73Å; L471-W596 HydrophobicContact CD1-CB 3.79Å; L471-W596 HydrophobicContact CD2-CB 4.49Å; L471-C599 HydrophobicContact CB-CB 4.08Å |
| 472 | I | 98.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 126.4 | 167.2 | -66.1 | 173.3 | 0 | 0 | 0 | 108.6 | F489 L524 L528 W532 I555 S560 V561 I563 | I472-F489 HydrophobicContact CD1-CB 4.38Å; I472-F489 HydrophobicContact CD1-CD1 4.2Å; I472-F489 HydrophobicContact CD1-CD2 4.33Å; I472-F489 HydrophobicContact CD1-CG 4.04Å; I472-F489 HydrophobicContact CG1-CB 4.16Å; I472-F489 HydrophobicContact CG1-CG 4.36Å; I472-F489 HydrophobicContact CG2-CB 4.13Å; I472-F489 HydrophobicContact CG2-CD1 3.89Å; I472-F489 HydrophobicContact CG2-CG 4.27Å; I472-L524 HydrophobicContact CD1-CD2 3.99Å; I472-L528 HydrophobicContact CD1-CD1 4.28Å; I472-L528 HydrophobicContact CG2-CD1 4.44Å; I472-W532 HydrophobicContact CG2-CH2 3.85Å; I472-I555 HydrophobicContact CG2-CG2 4.4Å; I472-S560 WeakPolarHBondContact CB-OG 3.39Å; I472-S560 VanDerWaalsContact O-CB 3.25Å; I472-S560 WeakPolarHBondContact O-CB 3.29Å; I472-S560 PolarHBondContact O-OG 2.93Å; I472-V561 PolarHBondContact N-O 3.43Å; I472-V561 VanDerWaalsContact N-O 3.15Å; I472-I563 HydrophobicContact CD1-CD1 4.37Å; I472-I563 HydrophobicContact CD1-CG2 3.96Å; I472-I563 HydrophobicContact CG1-CD1 3.92Å; I472-I563 HydrophobicContact CG1-CG1 4.15Å; I472-I563 HydrophobicContact CG1-CG2 4.36Å |
| 473 | V | 98.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | -14.4 | 178.4 | -62.2 | 0 | 0 | 0 | 0 | 112.5 | L471 L490 F506 I544 Y554 I555 | L471-V473 HydrophobicContact CD2-CG1 4.42Å; L471-V473 PolarHBondContact O-N 3.16Å; V473-L490 HydrophobicContact CG2-CB 4.34Å; V473-L490 HydrophobicContact CG2-CD2 4.18Å; V473-L490 HydrophobicContact CG2-CG 3.94Å; V473-L490 WeakPolarHBondContact CG2-O 3.5Å; V473-L490 PolarHBondContact N-O 3Å; V473-F506 HydrophobicContact CG1-CB 4.19Å; V473-I544 HydrophobicContact CB-CD1 4.07Å; V473-I544 HydrophobicContact CB-CG1 4.26Å; V473-I544 HydrophobicContact CB-CG2 3.99Å; V473-I544 HydrophobicContact CG2-CG2 3.98Å; V473-I544 WeakPolarHBondContact O-CD1 3.21Å; V473-Y554 WeakPolarHBondContact O-CA 3.32Å; V473-I555 PolarHBondContact O-N 3.01Å |
| 474 | G | 97.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 168.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | F489 L490 V553 | G474-F489 CarbonylContact O-C 3.44Å; G474-F489 VanDerWaalsContact O-CA 3.27Å; G474-F489 WeakPolarHBondContact O-CA 3.38Å; G474-L490 PolarHBondContact N-O 3.48Å; G474-L490 VanDerWaalsContact N-O 3.13Å; G474-L490 PolarHBondContact O-N 3.31Å; G474-V553 CarbonylContact C-O 2.77Å; G474-V553 WeakPolarHBondContact CA-O 3.48Å |
| 475 | G | 95.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 153.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | M486 H488 E552 V553 | G475-M486 VanDerWaalsContact CA-SD 3.54Å; G475-H488 CarbonylContact C-O 3.44Å; G475-H488 WeakPolarHBondContact CA-O 3.32Å; G475-E552 PolarHBondContact O-N 2.82Å; G475-V553 PolarHBondContact N-O 3.29Å; G475-V553 PolarHBondContact O-N 2.82Å |
| 476 | Y | 92.9 | Very high | 87.4 | Confident | 12 Ų | 12 | 35.7 Ų | 35.7 | 5% | 0.047 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 133 | 170.6 | -51.6 | -99.1 | 0 | 0 | 0 | 110.5 | M486 S487 H488 L490 R511 E549 K550 P551 E552 | Y476-M486 PolarHBondContact N-SD 3.41Å; Y476-S487 PolarHBondContact O-N 3.44Å; Y476-H488 HydrophobicContact CD2-CB 3.95Å; Y476-H488 WeakPolarHBondContact CD2-O 3.35Å; Y476-H488 HydrophobicContact CG-CB 4.38Å; Y476-H488 PolarHBondContact N-O 3.45Å; Y476-H488 PolarHBondContact O-N 3.4Å; Y476-L490 HydrophobicContact CE2-CB 3.98Å; Y476-R511 HydrophobicContact CD2-CG 4.1Å; Y476-R511 VanDerWaalsContact CE2-CD 3.41Å; Y476-R511 HydrophobicContact CE2-CG 3.69Å; Y476-E549 WeakPolarHBondContact OH-CG 3.26Å; Y476-E549 PolarHBondContact OH-OE1 2.87Å; Y476-K550 WeakPolarHBondContact CE1-O 3.36Å; Y476-K550 PolarHBondContact OH-O 2.82Å; Y476-P551 HydrophobicContact CE2-CB 4.42Å; Y476-P551 WeakPolarHBondContact OH-CA 3.06Å; Y476-E552 HydrophobicContact CD1-CG 4.18Å |
| 477 | W | 88.1 | Confident | 87.3 | Confident | 56 Ų | 56 | 35.4 Ų | 35.4 | 21% | 0.212 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 137.7 | 177.2 | -65.8 | 110.3 | 0 | 0 | 0 | 111.4 | R119 P121 G484 M486 E552 | R119-W477 HydrophobicContact CB-CB 3.74Å; R119-W477 VanDerWaalsContact O-CB 3.3Å; R119-W477 WeakPolarHBondContact O-CB 3.44Å; P121-W477 HydrophobicContact CG-CD2 4.49Å; P121-W477 HydrophobicContact CG-CE3 4.17Å; P121-W477 HydrophobicContact CG-CH2 3.62Å; P121-W477 HydrophobicContact CG-CZ2 3.97Å; P121-W477 HydrophobicContact CG-CZ3 3.72Å; W477-G484 WeakPolarHBondContact CZ3-O 3.36Å; W477-M486 HydrophobicContact CD2-CE 4.07Å; W477-M486 HydrophobicContact CD2-SD 4.26Å; W477-M486 HydrophobicContact CE3-CE 4.12Å; W477-M486 HydrophobicContact CE3-SD 4.4Å; W477-M486 HydrophobicContact CH2-CE 3.83Å; W477-M486 HydrophobicContact CZ2-CE 3.77Å; W477-M486 HydrophobicContact CZ3-CE 4.01Å; W477-E552 WeakPolarHBondContact CB-OE2 3.49Å; W477-E552 PolarHBondContact N-OE2 3.04Å |
| 478 | G | 81.1 | Confident | 87.4 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -75.6 | 169.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R482 M485 S487 | G478-R482 CarbonylContact C-O 3.5Å; G478-R482 VanDerWaalsContact CA-O 3.27Å; G478-R482 WeakPolarHBondContact CA-O 3.32Å; G478-M485 PolarHBondContact N-O 3.32Å; G478-S487 WeakPolarHBondContact CA-OG 3.45Å; G478-S487 PolarHBondContact N-OG 2.93Å |
| 479 | K | 74.1 | Confident | 87.5 | Confident | 133 Ų | 133 | 35.3 Ų | 35.3 | 58% | 0.578 | 17% | 0.172 | S | C | * | . | trans | -127.9 | 156.2 | 177.6 | 64 | 178.3 | -177.6 | 176.3 | 0 | 110.7 | G129 R481 R482 | G129-K479 WeakPolarHBondContact O-CA 3.22Å; K479-R481 PolarHBondContact O-N 2.92Å; K479-R482 PolarHBondContact O-N 3.49Å | ||
| 480 | G | 73.4 | Confident | 87.5 | Confident | 33 Ų | 33 | 34.1 Ų | 34.1 | 34% | 0.34 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | 57.3 | -124 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G129 R482 G483 | G129-G480 PolarHBondContact O-N 3.23Å; G480-R482 PolarHBondContact O-N 2.9Å; G480-R482 VanDerWaalsContact O-N 3.1Å; G480-G483 PolarHBondContact O-N 3.01Å |
| 481 | R | 68.3 | Low | 87.5 | Confident | 244 Ų | 244 | 34.1 Ų | 34.1 | 92% | 0.921 | 17% | 0.165 | S | C | * | . | G | 310 helix | trans | -62 | -17.9 | -177.8 | -66 | -173.8 | -177.5 | -175.6 | 0.2 | 114.8 | K479 | K479-R481 PolarHBondContact O-N 2.92Š|
| 482 | R | 76.6 | Confident | 87.5 | Confident | 69 Ų | 69 | 34.1 Ų | 34.1 | 26% | 0.26 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -106.1 | 15.1 | 175.9 | -59.5 | -178 | -179.2 | 167.4 | -3.7 | 112.2 | G478 K479 G480 M485 G513 Y516 M518 L521 | G478-R482 CarbonylContact C-O 3.5Å; G478-R482 VanDerWaalsContact CA-O 3.27Å; G478-R482 WeakPolarHBondContact CA-O 3.32Å; K479-R482 PolarHBondContact O-N 3.49Å; G480-R482 PolarHBondContact O-N 2.9Å; G480-R482 VanDerWaalsContact O-N 3.1Å; R482-M485 PolarHBondContact O-N 2.9Å; R482-G513 PolarHBondContact NH1-O 3.3Å; R482-Y516 PolarHBondContact NH1-OH 2.69Å; R482-M518 HydrophobicContact CG-CE 4.36Å; R482-M518 HydrophobicContact CG-SD 4.09Å; R482-L521 HydrophobicContact CG-CD2 4.27Å |
| 483 | G | 77.2 | Confident | 87.4 | Confident | 25 Ų | 25 | 34.1 Ų | 34.1 | 26% | 0.258 | 17% | 0.165 | S | C | . | . | B | Isolated β-bridge | trans | -58.3 | 139.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A128 G480 M485 | A128-G483 CarbonylContact O-C 3.56Å; A128-G483 WeakPolarHBondContact O-CA 3.38Å; G480-G483 PolarHBondContact O-N 3.01Å; G483-M485 PolarHBondContact O-N 3.05Å |
| 484 | G | 75.1 | Confident | 87.4 | Confident | 29 Ų | 29 | 34.1 Ų | 34.1 | 30% | 0.299 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | -2.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | W477 | W477-G484 WeakPolarHBondContact CZ3-O 3.36Š|
| 485 | M | 83.7 | Confident | 87.3 | Confident | 43 Ų | 43 | 37.7 Ų | 37.7 | 21% | 0.212 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -117.2 | 154.2 | 176.3 | -59.5 | 176.1 | 68.9 | 0 | 0 | 111.1 | G478 R482 G483 S487 L521 Y522 | G478-M485 PolarHBondContact N-O 3.32Å; R482-M485 PolarHBondContact O-N 2.9Å; G483-M485 PolarHBondContact O-N 3.05Å; M485-S487 PolarHBondContact O-N 3.19Å; M485-L521 HydrophobicContact CE-CG 4.27Å; M485-Y522 HydrophobicContact CE-CD2 3.68Å; M485-Y522 HydrophobicContact CE-CG 4.16Å; M485-Y522 HydrophobicContact SD-CD2 4.4Å |
| 486 | M | 88.6 | Confident | 87.1 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 3% | 0.034 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 122.4 | 166 | -145.7 | 62.8 | 65.5 | 0 | 0 | 108.3 | G475 Y476 W477 F489 L521 W532 V553 | G475-M486 VanDerWaalsContact CA-SD 3.54Å; Y476-M486 PolarHBondContact N-SD 3.41Å; W477-M486 HydrophobicContact CD2-CE 4.07Å; W477-M486 HydrophobicContact CD2-SD 4.26Å; W477-M486 HydrophobicContact CE3-CE 4.12Å; W477-M486 HydrophobicContact CE3-SD 4.4Å; W477-M486 HydrophobicContact CH2-CE 3.83Å; W477-M486 HydrophobicContact CZ2-CE 3.77Å; W477-M486 HydrophobicContact CZ3-CE 4.01Å; M486-F489 HydrophobicContact CB-CE1 3.88Å; M486-F489 HydrophobicContact CB-CZ 4.23Å; M486-F489 HydrophobicContact CG-CD1 4.17Å; M486-F489 HydrophobicContact CG-CE1 3.64Å; M486-F489 HydrophobicContact CG-CZ 4.4Å; M486-L521 VanDerWaalsContact O-CD1 3.26Å; M486-L521 WeakPolarHBondContact O-CD1 3.27Å; M486-W532 HydrophobicContact CE-CD2 4.23Å; M486-W532 HydrophobicContact CE-CG 4.26Å; M486-W532 HydrophobicContact CG-CZ2 4.2Å; M486-V553 HydrophobicContact CE-CG2 3.36Å; M486-V553 HydrophobicContact SD-CG2 3.94Å |
| 487 | S | 84.7 | Confident | 86.8 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | -20.6 | -172.3 | 68.6 | 0 | 0 | 0 | 0 | 113.5 | Y476 G478 M485 G513 Y516 | Y476-S487 PolarHBondContact O-N 3.44Å; G478-S487 WeakPolarHBondContact CA-OG 3.45Å; G478-S487 PolarHBondContact N-OG 2.93Å; M485-S487 PolarHBondContact O-N 3.19Å; S487-G513 WeakPolarHBondContact O-CA 3.16Å; S487-Y516 PolarHBondContact O-OH 3.25Å |
| 488 | H | 92.3 | Very high | 86.9 | Confident | 63 Ų | 63 | 47.4 Ų | 47.4 | 29% | 0.292 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 146.1 | 171.6 | -54.8 | 62.7 | 0 | 0 | 0 | 107.2 | G475 Y476 R511 I512 G513 | G475-H488 CarbonylContact C-O 3.44Å; G475-H488 WeakPolarHBondContact CA-O 3.32Å; Y476-H488 HydrophobicContact CD2-CB 3.95Å; Y476-H488 WeakPolarHBondContact CD2-O 3.35Å; Y476-H488 HydrophobicContact CG-CB 4.38Å; Y476-H488 PolarHBondContact N-O 3.45Å; Y476-H488 PolarHBondContact O-N 3.4Å; H488-R511 HydrophobicContact CB-CG 4.18Å; H488-I512 CarbonylContact C-O 3.6Å; H488-I512 VanDerWaalsContact CA-O 3.23Å; H488-I512 WeakPolarHBondContact CA-O 3.43Å; H488-G513 VanDerWaalsContact CD2-CA 3.5Å; H488-G513 WeakPolarHBondContact CD2-CA 3.48Å |
| 489 | F | 96.4 | Very high | 87.1 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 136.7 | -179.4 | -57.8 | -72 | 0 | 0 | 0 | 108.9 | I472 G474 M486 R511 I512 Y516 L521 L524 W532 I587 | I472-F489 HydrophobicContact CD1-CB 4.38Å; I472-F489 HydrophobicContact CD1-CD1 4.2Å; I472-F489 HydrophobicContact CD1-CD2 4.33Å; I472-F489 HydrophobicContact CD1-CG 4.04Å; I472-F489 HydrophobicContact CG1-CB 4.16Å; I472-F489 HydrophobicContact CG1-CG 4.36Å; I472-F489 HydrophobicContact CG2-CB 4.13Å; I472-F489 HydrophobicContact CG2-CD1 3.89Å; I472-F489 HydrophobicContact CG2-CG 4.27Å; G474-F489 CarbonylContact O-C 3.44Å; G474-F489 VanDerWaalsContact O-CA 3.27Å; G474-F489 WeakPolarHBondContact O-CA 3.38Å; M486-F489 HydrophobicContact CB-CE1 3.88Å; M486-F489 HydrophobicContact CB-CZ 4.23Å; M486-F489 HydrophobicContact CG-CD1 4.17Å; M486-F489 HydrophobicContact CG-CE1 3.64Å; M486-F489 HydrophobicContact CG-CZ 4.4Å; F489-R511 CarbonylContact O-C 3.53Å; F489-R511 WeakPolarHBondContact O-CA 2.92Å; F489-I512 PolarHBondContact N-O 3.21Å; F489-I512 PolarHBondContact O-N 2.99Å; F489-Y516 HydrophobicContact CE2-CE1 4.26Å; F489-L521 HydrophobicContact CE2-CD1 3.83Å; F489-L521 HydrophobicContact CZ-CD1 3.97Å; F489-L524 HydrophobicContact CE2-CD2 3.88Å; F489-L524 HydrophobicContact CZ-CD2 3.86Å; F489-L524 HydrophobicContact CZ-CG 4.47Å; F489-W532 HydrophobicContact CD1-CH2 4.29Å; F489-W532 HydrophobicContact CD1-CZ2 4.36Å; F489-W532 HydrophobicContact CE1-CH2 4.49Å; F489-W532 HydrophobicContact CE1-CZ2 4.1Å; F489-I587 HydrophobicContact CD2-CD1 4.44Å |
| 490 | L | 98.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 127.2 | 163.6 | -177 | 65.1 | 0 | 0 | 0 | 107.2 | V473 G474 Y476 E549 P551 Y576 | V473-L490 HydrophobicContact CG2-CB 4.34Å; V473-L490 HydrophobicContact CG2-CD2 4.18Å; V473-L490 HydrophobicContact CG2-CG 3.94Å; V473-L490 WeakPolarHBondContact CG2-O 3.5Å; V473-L490 PolarHBondContact N-O 3Å; G474-L490 PolarHBondContact N-O 3.48Å; G474-L490 VanDerWaalsContact N-O 3.13Å; G474-L490 PolarHBondContact O-N 3.31Å; Y476-L490 HydrophobicContact CE2-CB 3.98Å; L490-E549 HydrophobicContact CD1-CG 4.49Å; L490-P551 HydrophobicContact CB-CB 4.29Å; L490-P551 HydrophobicContact CD2-CB 4.07Å; L490-P551 HydrophobicContact CD2-CG 3.87Å; L490-Y576 HydrophobicContact CD1-CD1 4.16Å; L490-Y576 HydrophobicContact CD1-CE1 3.85Å |
| 491 | C | 98.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 142.3 | -179.1 | -55.5 | 0 | 0 | 0 | 0 | 110.2 | L470 L471 F509 C510 I563 | L470-C491 HydrophobicContact CB-CB 4.04Å; L470-C491 HydrophobicContact CD1-CB 3.98Å; L471-C491 CarbonylContact O-C 3.46Å; L471-C491 VanDerWaalsContact O-CA 3.23Å; L471-C491 WeakPolarHBondContact O-CA 3.5Å; C491-F509 PolarHBondContact O-N 3.28Å; C491-C510 PolarHBondContact N-O 2.87Å; C491-I563 VanDerWaalsContact SG-CD1 3.6Å |
| 492 | G | 97.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 158.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L471 H507 C599 | L471-G492 PolarHBondContact N-O 2.84Å; L471-G492 VanDerWaalsContact N-O 3.16Å; L471-G492 PolarHBondContact O-N 3.02Å; G492-H507 CarbonylContact C-O 3.55Å; G492-H507 WeakPolarHBondContact CA-O 3.34Å; G492-C599 PolarHBondContact O-SG 3.18Å |
| 493 | I | 97.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 141.3 | 175.3 | -70.2 | 175.3 | 0 | 0 | 0 | 108.1 | L470 F506 H507 F509 T578 M600 L602 L605 | L470-I493 HydrophobicContact CD2-CD1 4.15Å; L470-I493 HydrophobicContact CD2-CG1 3.78Å; I493-F506 CarbonylContact O-C 3.55Å; I493-F506 VanDerWaalsContact O-CA 3.24Å; I493-F506 WeakPolarHBondContact O-CA 3.35Å; I493-H507 PolarHBondContact N-O 3.02Å; I493-H507 PolarHBondContact O-N 2.67Å; I493-F509 HydrophobicContact CD1-CB 3.87Å; I493-F509 HydrophobicContact CD1-CD1 3.43Å; I493-F509 VanDerWaalsContact CD1-CD1 3.43Å; I493-F509 HydrophobicContact CD1-CD2 4.06Å; I493-F509 HydrophobicContact CD1-CE1 3.86Å; I493-F509 HydrophobicContact CD1-CE2 4.44Å; I493-F509 HydrophobicContact CD1-CG 3.53Å; I493-F509 HydrophobicContact CD1-CZ 4.33Å; I493-F509 HydrophobicContact CG1-CB 4.07Å; I493-F509 HydrophobicContact CG1-CD1 4.06Å; I493-F509 HydrophobicContact CG1-CG 4.2Å; I493-T578 HydrophobicContact CD1-CG2 4.49Å; I493-M600 HydrophobicContact CD1-CE 4.27Å; I493-M600 HydrophobicContact CD1-CG 4.4Å; I493-M600 HydrophobicContact CD1-SD 4.11Å; I493-M600 HydrophobicContact CG1-CG 3.98Å; I493-M600 HydrophobicContact CG1-SD 4.25Å; I493-M600 HydrophobicContact CG2-CG 4.33Å; I493-M600 WeakPolarHBondContact CG2-O 3.42Å; I493-L602 HydrophobicContact CB-CD2 4.46Å; I493-L602 HydrophobicContact CG2-CD2 3.88Å; I493-L602 HydrophobicContact CG2-CG 4.11Å; I493-L605 HydrophobicContact CD1-CB 4.15Å; I493-L605 HydrophobicContact CD1-CD1 4.1Å; I493-L605 HydrophobicContact CD1-CD2 3.67Å; I493-L605 HydrophobicContact CD1-CG 4.18Å |
| 494 | A | 97.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 140.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P503 F506 C599 M600 T601 L602 | A494-P503 HydrophobicContact CB-CB 3.81Å; A494-P503 HydrophobicContact CB-CG 3.93Å; A494-F506 HydrophobicContact CB-CD1 4.07Å; A494-F506 HydrophobicContact CB-CE1 3.7Å; A494-F506 HydrophobicContact CB-CZ 4.25Å; A494-C599 HydrophobicContact CB-CB 4.4Å; A494-M600 PolarHBondContact N-O 3.5Å; A494-T601 VanDerWaalsContact O-CA 3.29Å; A494-T601 WeakPolarHBondContact O-CA 3.39Å; A494-L602 PolarHBondContact O-N 3.13Å; A494-L602 VanDerWaalsContact O-N 3.08Å |
| 495 | E | 95.8 | Very high | 92.6 | Very high | 75 Ų | 75 | 50.1 Ų | 50.1 | 35% | 0.35 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 142.4 | 153.4 | -69.2 | -170.3 | 167.8 | 0 | 0 | 109.2 | P497 V505 H507 L602 | E495-P497 WeakPolarHBondContact O-CD 2.89Å; E495-V505 HydrophobicContact CB-CB 4.34Å; E495-V505 HydrophobicContact CG-CB 4.06Å; E495-V505 HydrophobicContact CG-CG1 4.04Å; E495-V505 PolarHBondContact N-O 3.1Å; E495-V505 WeakPolarHBondContact OE2-CB 3.3Å; E495-H507 VanDerWaalsContact CG-NE2 3.27Å; E495-H507 WeakPolarHBondContact CG-NE2 3.4Å; E495-H507 IonicContact OE1-CD2 3.76Å; E495-H507 IonicContact OE1-CE1 2.8Å; E495-H507 IonicContact OE1-NE2 3.62Å; E495-H507 PolarHBondContact OE1-NE2 3.27Å; E495-L602 HydrophobicContact CG-CD1 4.08Å |
| 496 | A | 90.3 | Very high | 93.3 | Very high | 76 Ų | 76 | 48.1 Ų | 48.1 | 63% | 0.628 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 121.2 | 178 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 497 | P | 87.8 | Confident | 93.8 | Very high | 51 Ų | 51 | 48.8 Ų | 48.8 | 33% | 0.331 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 163.4 | 176.8 | 30.9 | -33.1 | 0 | 0 | 0 | 110.2 | E495 E501 P503 | E495-P497 WeakPolarHBondContact O-CD 2.89Å; P497-E501 HydrophobicContact CB-CB 4.29Å; P497-E501 WeakPolarHBondContact CB-O 3.35Å; P497-E501 WeakPolarHBondContact CG-O 3.35Å; P497-P503 HydrophobicContact CG-CG 4.05Å |
| 498 | K | 88.5 | Confident | 94.4 | Very high | 144 Ų | 144 | 48.7 Ų | 48.7 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 151.2 | 165.6 | -65.2 | 177.1 | -175 | 172 | 0 | 109.6 | G500 E501 | K498-G500 PolarHBondContact O-N 3.03Å; K498-E501 HydrophobicContact CB-CG 4.37Å; K498-E501 PolarHBondContact O-N 3.13Å |
| 499 | P | 86.3 | Confident | 94.7 | Very high | 137 Ų | 137 | 45.7 Ų | 45.7 | 89% | 0.89 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | 125.5 | 177.7 | -26.6 | 34.7 | 0 | 0 | 0 | 111.8 | ||
| 500 | G | 86.4 | Confident | 94.7 | Very high | 93 Ų | 93 | 45.7 Ų | 45.7 | 96% | 0.959 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.8 | -9.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | K498 | K498-G500 PolarHBondContact O-N 3.03Š|
| 501 | E | 92.9 | Very high | 94.6 | Very high | 117 Ų | 117 | 51 Ų | 51 | 55% | 0.547 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -97.3 | 159.8 | 176.3 | -66 | 179.6 | -165.5 | 0 | 0 | 112 | P497 K498 | P497-E501 HydrophobicContact CB-CB 4.29Å; P497-E501 WeakPolarHBondContact CB-O 3.35Å; P497-E501 WeakPolarHBondContact CG-O 3.35Å; K498-E501 HydrophobicContact CB-CG 4.37Å; K498-E501 PolarHBondContact O-N 3.13Å |
| 502 | K | 94.6 | Very high | 94.4 | Very high | 121 Ų | 121 | 51.1 Ų | 51.1 | 53% | 0.526 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -89.8 | 150.3 | 170.8 | -64.2 | -178.7 | -179.2 | -175.2 | 0 | 109.7 | S504 W596 H597 | K502-S504 PolarHBondContact O-N 3.3Å; K502-W596 HydrophobicContact CB-CH2 3.75Å; K502-W596 HydrophobicContact CB-CZ2 4.05Å; K502-W596 HydrophobicContact CD-CH2 4.29Å; K502-W596 HydrophobicContact CD-CZ2 3.69Å; K502-W596 HydrophobicContact CG-CZ2 4.45Å; K502-H597 HydrophobicContact CB-CB 4.09Å; K502-H597 HydrophobicContact CD-CB 4.25Å; K502-H597 HydrophobicContact CG-CB 4.07Å |
| 503 | P | 95.3 | Very high | 93.9 | Very high | 8 Ų | 8 | 51.8 Ų | 51.8 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 133.9 | 177.3 | -19.6 | 30.6 | 0 | 0 | 0 | 111.5 | A494 P497 F506 W596 H597 | A494-P503 HydrophobicContact CB-CB 3.81Å; A494-P503 HydrophobicContact CB-CG 3.93Å; P497-P503 HydrophobicContact CG-CG 4.05Å; P503-F506 HydrophobicContact CB-CE2 4.06Å; P503-F506 HydrophobicContact CB-CZ 3.82Å; P503-F506 HydrophobicContact CG-CZ 4.45Å; P503-W596 WeakPolarHBondContact O-CH2 3.35Å; P503-W596 WeakPolarHBondContact O-CZ3 3.32Å; P503-H597 HydrophobicContact CG-CB 4.46Å |
| 504 | S | 94.5 | Very high | 93.3 | Very high | 89 Ų | 89 | 53.8 Ų | 53.8 | 62% | 0.622 | 32% | 0.317 | S | S | * | . | trans | -104.8 | -22.9 | 178.6 | 55 | 0 | 0 | 0 | 0 | 113.1 | K502 S543 | K502-S504 PolarHBondContact O-N 3.3Å; S504-S543 WeakPolarHBondContact O-CA 3.4Å; S504-S543 WeakPolarHBondContact O-CB 3.39Å | ||
| 505 | V | 97.3 | Very high | 92.4 | Very high | 27 Ų | 27 | 55.9 Ų | 55.9 | 16% | 0.164 | 34% | 0.339 | C | S | . | . | trans | -124.5 | 133.3 | -174.4 | -178.5 | 0 | 0 | 0 | 0 | 110.4 | E495 L545 | E495-V505 HydrophobicContact CB-CB 4.34Å; E495-V505 HydrophobicContact CG-CB 4.06Å; E495-V505 HydrophobicContact CG-CG1 4.04Å; E495-V505 PolarHBondContact N-O 3.1Å; E495-V505 WeakPolarHBondContact OE2-CB 3.3Å; V505-L545 HydrophobicContact CG1-CD1 3.6Å; V505-L545 HydrophobicContact CG1-CG 3.72Å | ||
| 506 | F | 98.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 133.5 | 179.1 | -68.5 | -100.6 | 0 | 0 | 0 | 111.5 | L471 V473 I493 A494 P503 S543 I544 L545 P557 W596 C599 | L471-F506 HydrophobicContact CB-CD1 4.39Å; L471-F506 HydrophobicContact CB-CE1 4.26Å; L471-F506 HydrophobicContact CD2-CD1 3.84Å; L471-F506 HydrophobicContact CD2-CE1 3.42Å; L471-F506 VanDerWaalsContact CD2-CE1 3.42Å; L471-F506 HydrophobicContact CD2-CE2 4.35Å; L471-F506 HydrophobicContact CD2-CG 4.45Å; L471-F506 HydrophobicContact CD2-CZ 3.71Å; L471-F506 HydrophobicContact CG-CE1 4.47Å; V473-F506 HydrophobicContact CG1-CB 4.19Å; I493-F506 CarbonylContact O-C 3.55Å; I493-F506 VanDerWaalsContact O-CA 3.24Å; I493-F506 WeakPolarHBondContact O-CA 3.35Å; A494-F506 HydrophobicContact CB-CD1 4.07Å; A494-F506 HydrophobicContact CB-CE1 3.7Å; A494-F506 HydrophobicContact CB-CZ 4.25Å; P503-F506 HydrophobicContact CB-CE2 4.06Å; P503-F506 HydrophobicContact CB-CZ 3.82Å; P503-F506 HydrophobicContact CG-CZ 4.45Å; F506-S543 PolarHBondContact N-O 3.37Å; F506-I544 WeakPolarHBondContact O-CA 3.45Å; F506-L545 PolarHBondContact O-N 2.74Å; F506-P557 HydrophobicContact CD2-CB 3.81Å; F506-P557 HydrophobicContact CD2-CG 3.44Å; F506-P557 VanDerWaalsContact CD2-CG 3.44Å; F506-P557 HydrophobicContact CE2-CB 3.4Å; F506-P557 HydrophobicContact CE2-CG 3.58Å; F506-P557 HydrophobicContact CG-CG 4.28Å; F506-P557 HydrophobicContact CZ-CB 3.92Å; F506-P557 HydrophobicContact CZ-CG 4.48Å; F506-W596 HydrophobicContact CE2-CE3 4.26Å; F506-W596 AromaticContact CE2-CZ3 3.9Å; F506-W596 HydrophobicContact CE2-CZ3 3.9Å; F506-W596 AromaticContact CZ-CE3 3.82Å; F506-W596 HydrophobicContact CZ-CE3 3.82Å; F506-W596 AromaticContact CZ-CZ3 3.78Å; F506-W596 HydrophobicContact CZ-CZ3 3.78Å; F506-C599 HydrophobicContact CE1-CB 3.93Å |
| 507 | H | 98.4 | Very high | 91.2 | Very high | 21 Ų | 21 | 53.3 Ų | 53.3 | 10% | 0.097 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 124 | 179 | -71 | -125.4 | 0 | 0 | 0 | 110.1 | G492 I493 E495 F509 K577 T578 L602 | G492-H507 CarbonylContact C-O 3.55Å; G492-H507 WeakPolarHBondContact CA-O 3.34Å; I493-H507 PolarHBondContact N-O 3.02Å; I493-H507 PolarHBondContact O-N 2.67Å; E495-H507 VanDerWaalsContact CG-NE2 3.27Å; E495-H507 WeakPolarHBondContact CG-NE2 3.4Å; E495-H507 IonicContact OE1-CD2 3.76Å; E495-H507 IonicContact OE1-CE1 2.8Å; E495-H507 IonicContact OE1-NE2 3.62Å; E495-H507 PolarHBondContact OE1-NE2 3.27Å; H507-F509 PolarHBondContact O-N 2.85Å; H507-K577 HydrophobicContact CB-CB 4.25Å; H507-K577 HydrophobicContact CB-CG 4.16Å; H507-K577 VanDerWaalsContact ND1-CG 3.28Å; H507-K577 WeakPolarHBondContact ND1-CG 3.26Å; H507-T578 HydrophobicContact CB-CG2 3.74Å; H507-L602 HydrophobicContact CB-CD2 4.27Å |
| 508 | S | 98.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 136.5 | 171.6 | 59.3 | 0 | 0 | 0 | 0 | 111.5 | L545 C546 G547 K577 T578 | S508-L545 PolarHBondContact N-O 2.85Å; S508-L545 PolarHBondContact OG-O 3.3Å; S508-L545 VanDerWaalsContact OG-O 3.11Å; S508-C546 WeakPolarHBondContact OG-CA 3.44Å; S508-G547 PolarHBondContact OG-N 3.02Å; S508-K577 PolarHBondContact O-N 3.43Å; S508-K577 VanDerWaalsContact O-N 3.15Å; S508-K577 WeakPolarHBondContact OG-CB 3.27Å; S508-K577 PolarHBondContact OG-N 2.81Å; S508-T578 PolarHBondContact O-N 2.94Å; S508-T578 PolarHBondContact O-OG1 2.9Å; S508-T578 VanDerWaalsContact O-OG1 3.12Å |
| 509 | F | 97.9 | Very high | 90 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | -49.5 | -173.7 | 177.2 | -136.6 | 0 | 0 | 0 | 113.9 | L468 L470 C491 I493 H507 Y576 T578 T581 L582 L605 | L468-F509 HydrophobicContact CD2-CE1 4.16Å; L470-F509 HydrophobicContact CD1-CD1 3.78Å; L470-F509 HydrophobicContact CD1-CE1 4.13Å; L470-F509 HydrophobicContact CD2-CD1 3.87Å; L470-F509 HydrophobicContact CD2-CE1 4.18Å; C491-F509 PolarHBondContact O-N 3.28Å; I493-F509 HydrophobicContact CD1-CB 3.87Å; I493-F509 HydrophobicContact CD1-CD1 3.43Å; I493-F509 VanDerWaalsContact CD1-CD1 3.43Å; I493-F509 HydrophobicContact CD1-CD2 4.06Å; I493-F509 HydrophobicContact CD1-CE1 3.86Å; I493-F509 HydrophobicContact CD1-CE2 4.44Å; I493-F509 HydrophobicContact CD1-CG 3.53Å; I493-F509 HydrophobicContact CD1-CZ 4.33Å; I493-F509 HydrophobicContact CG1-CB 4.07Å; I493-F509 HydrophobicContact CG1-CD1 4.06Å; I493-F509 HydrophobicContact CG1-CG 4.2Å; H507-F509 PolarHBondContact O-N 2.85Å; F509-Y576 VanDerWaalsContact O-CD2 3.32Å; F509-Y576 WeakPolarHBondContact O-CD2 3.26Å; F509-T578 HydrophobicContact CB-CG2 4.19Å; F509-T578 HydrophobicContact CD2-CG2 4.27Å; F509-T578 WeakPolarHBondContact CD2-OG1 3.45Å; F509-T581 WeakPolarHBondContact O-CA 3.49Å; F509-T581 WeakPolarHBondContact O-CB 3.38Å; F509-T581 PolarHBondContact O-OG1 2.88Å; F509-L582 HydrophobicContact CD1-CD1 4.48Å; F509-L582 HydrophobicContact CD1-CG 4.33Å; F509-L582 HydrophobicContact CE1-CD1 3.77Å; F509-L582 HydrophobicContact CE1-CD2 3.68Å; F509-L582 HydrophobicContact CE1-CG 3.45Å; F509-L582 VanDerWaalsContact CE1-CG 3.45Å; F509-L582 HydrophobicContact CZ-CD1 4.37Å; F509-L582 HydrophobicContact CZ-CD2 3.46Å; F509-L582 VanDerWaalsContact CZ-CD2 3.46Å; F509-L582 HydrophobicContact CZ-CG 3.57Å; F509-L605 HydrophobicContact CD2-CD2 4.46Å; F509-L605 HydrophobicContact CE1-CD1 4.3Å; F509-L605 HydrophobicContact CE2-CD1 3.84Å; F509-L605 HydrophobicContact CE2-CD2 4.25Å; F509-L605 HydrophobicContact CZ-CD1 3.6Å |
| 510 | C | 96.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.007 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 163.8 | 179.7 | 65.2 | 0 | 0 | 0 | 0 | 112.2 | C491 T581 L582 | C491-C510 PolarHBondContact N-O 2.87Å; C510-T581 WeakPolarHBondContact CB-OG1 3.37Å; C510-L582 HydrophobicContact CB-CB 4.3Å; C510-L582 HydrophobicContact CB-CG 4.42Å |
| 511 | R | 96.3 | Very high | 89.8 | Confident | 112 Ų | 112 | 48.1 Ų | 48.1 | 42% | 0.423 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 128.8 | 170.8 | -172.7 | 177 | 72.1 | -170.2 | 4.2 | 109.8 | Y476 H488 F489 E549 Y576 | Y476-R511 HydrophobicContact CD2-CG 4.1Å; Y476-R511 VanDerWaalsContact CE2-CD 3.41Å; Y476-R511 HydrophobicContact CE2-CG 3.69Å; H488-R511 HydrophobicContact CB-CG 4.18Å; F489-R511 CarbonylContact O-C 3.53Å; F489-R511 WeakPolarHBondContact O-CA 2.92Å; R511-E549 IonicContact CZ-OE1 2.83Å; R511-E549 IonicContact NE-OE1 2.82Å; R511-E549 IonicContact NH1-OE1 4Å; R511-E549 PolarHBondContact NH1-OE1 2.84Å; R511-Y576 WeakPolarHBondContact CB-OH 3.35Å; R511-Y576 PolarHBondContact N-OH 3.5Å |
| 512 | I | 93.2 | Very high | 89.3 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 134.1 | -175.8 | -46.2 | 178.9 | 0 | 0 | 0 | 110.4 | L470 H488 F489 I563 V565 P585 I587 | L470-I512 HydrophobicContact CD1-CD1 4.45Å; H488-I512 CarbonylContact C-O 3.6Å; H488-I512 VanDerWaalsContact CA-O 3.23Å; H488-I512 WeakPolarHBondContact CA-O 3.43Å; F489-I512 PolarHBondContact N-O 3.21Å; F489-I512 PolarHBondContact O-N 2.99Å; I512-I563 HydrophobicContact CD1-CD1 4.3Å; I512-V565 HydrophobicContact CD1-CB 4.18Å; I512-V565 HydrophobicContact CD1-CG1 3.59Å; I512-V565 HydrophobicContact CD1-CG2 3.45Å; I512-V565 VanDerWaalsContact CD1-CG2 3.45Å; I512-P585 HydrophobicContact CD1-CB 4.06Å; I512-P585 HydrophobicContact CG1-CB 3.95Å; I512-P585 HydrophobicContact CG1-CG 4.1Å; I512-I587 HydrophobicContact CG2-CD1 4.19Å; I512-I587 HydrophobicContact CG2-CG1 3.94Å |
| 513 | G | 87.6 | Confident | 89 | Confident | 14 Ų | 14 | 45.8 Ų | 45.8 | 14% | 0.144 | 24% | 0.243 | C | C | . | . | trans | -140.3 | 26.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R482 S487 H488 Y516 | R482-G513 PolarHBondContact NH1-O 3.3Å; S487-G513 WeakPolarHBondContact O-CA 3.16Å; H488-G513 VanDerWaalsContact CD2-CA 3.5Å; H488-G513 WeakPolarHBondContact CD2-CA 3.48Å; G513-Y516 VanDerWaalsContact C-OH 3.29Å; G513-Y516 PolarHBondContact O-OH 2.85Å; G513-Y516 VanDerWaalsContact O-OH 3.09Å | ||
| 514 | S | 85.9 | Confident | 88.7 | Confident | 42 Ų | 42 | 45.7 Ų | 45.7 | 29% | 0.294 | 24% | 0.242 | S | C | . | . | trans | -150.2 | 163.3 | -179.3 | 71.9 | 0 | 0 | 0 | 0 | 111.5 | I587 | S514-I587 PolarHBondContact O-N 3.17Š| ||
| 515 | G | 78.5 | Confident | 88.5 | Confident | 44 Ų | 44 | 42.3 Ų | 42.3 | 45% | 0.454 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 109.4 | -21.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | I587 | G515-I587 CarbonylContact C-O 3.53Å; G515-I587 WeakPolarHBondContact CA-O 3.47Å; G515-I587 VanDerWaalsContact O-O 3.09Å |
| 516 | Y | 81.3 | Confident | 88.2 | Confident | 21 Ų | 21 | 45.9 Ų | 45.9 | 8% | 0.082 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -94.7 | 156 | 172.7 | 49.6 | -108.4 | 0 | 0 | 0 | 112.4 | R482 S487 F489 G513 E520 L521 I587 | R482-Y516 PolarHBondContact NH1-OH 2.69Å; S487-Y516 PolarHBondContact O-OH 3.25Å; F489-Y516 HydrophobicContact CE2-CE1 4.26Å; G513-Y516 VanDerWaalsContact C-OH 3.29Å; G513-Y516 PolarHBondContact O-OH 2.85Å; G513-Y516 VanDerWaalsContact O-OH 3.09Å; Y516-E520 WeakPolarHBondContact CA-OE2 3.02Å; Y516-L521 HydrophobicContact CD1-CD1 4.26Å; Y516-L521 HydrophobicContact CD2-CB 3.65Å; Y516-L521 HydrophobicContact CD2-CD1 4.02Å; Y516-L521 HydrophobicContact CD2-CD2 4.3Å; Y516-L521 HydrophobicContact CD2-CG 4.19Å; Y516-L521 HydrophobicContact CE1-CD1 3.88Å; Y516-L521 HydrophobicContact CE2-CB 3.88Å; Y516-L521 HydrophobicContact CE2-CD1 3.68Å; Y516-L521 HydrophobicContact CE2-CD2 3.65Å; Y516-L521 HydrophobicContact CE2-CG 3.93Å; Y516-L521 HydrophobicContact CG-CB 4.29Å; Y516-L521 HydrophobicContact CG-CD1 4.32Å; Y516-I587 HydrophobicContact CD1-CD1 3.7Å; Y516-I587 HydrophobicContact CE1-CD1 4.01Å |
| 517 | T | 78.8 | Confident | 87.9 | Confident | 77 Ų | 77 | 50.2 Ų | 50.2 | 47% | 0.472 | 26% | 0.258 | S | S | . | . | trans | -74.4 | 163.9 | 163.2 | 63.9 | 0 | 0 | 0 | 0 | 111.1 | K519 E520 L521 | T517-K519 PolarHBondContact O-N 3.19Å; T517-E520 WeakPolarHBondContact CB-OE2 3.47Å; T517-E520 WeakPolarHBondContact CG2-OE2 3.4Å; T517-E520 PolarHBondContact N-OE2 3.02Å; T517-E520 PolarHBondContact O-N 3.12Å; T517-E520 WeakPolarHBondContact OG1-CB 3.47Å; T517-E520 VanDerWaalsContact OG1-CG 3.29Å; T517-E520 WeakPolarHBondContact OG1-CG 3.42Å; T517-E520 PolarHBondContact OG1-N 3.31Å; T517-E520 VanDerWaalsContact OG1-N 3.14Å; T517-E520 PolarHBondContact OG1-OE2 3.25Å; T517-L521 PolarHBondContact O-N 2.67Å | ||
| 518 | M | 72.1 | Confident | 87.7 | Confident | 93 Ų | 93 | 49.2 Ų | 49.2 | 46% | 0.458 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.2 | -32.8 | 174.8 | -74.8 | -62 | -62.7 | 0 | 0 | 112.3 | R482 Y522 | R482-M518 HydrophobicContact CG-CE 4.36Å; R482-M518 HydrophobicContact CG-SD 4.09Å; M518-Y522 WeakPolarHBondContact O-CB 3.27Å; M518-Y522 PolarHBondContact O-N 3.31Å |
| 519 | K | 80.2 | Confident | 87.4 | Confident | 142 Ų | 142 | 52.1 Ų | 52.1 | 62% | 0.617 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -66.1 | -50.6 | 175.4 | -176.6 | -176.6 | -179.4 | -63.6 | 0 | 111 | T517 L521 Y522 D523 | T517-K519 PolarHBondContact O-N 3.19Å; K519-L521 VanDerWaalsContact C-N 3.29Å; K519-L521 PolarHBondContact O-N 3.25Å; K519-Y522 WeakPolarHBondContact O-CB 3.41Å; K519-Y522 PolarHBondContact O-N 2.92Å; K519-Y522 VanDerWaalsContact O-N 3.07Å; K519-D523 IonicContact NZ-OD2 3.84Å; K519-D523 PolarHBondContact NZ-OD2 2.99Å; K519-D523 VanDerWaalsContact O-CG 3.23Å; K519-D523 PolarHBondContact O-N 3.42Å |
| 520 | E | 82.9 | Confident | 87.2 | Confident | 79 Ų | 79 | 60.4 Ų | 60.4 | 37% | 0.369 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.3 | -39.3 | 177.4 | -72.9 | 162.2 | 146.9 | 0 | 0 | 112 | Y516 T517 Y522 L524 I590 | Y516-E520 WeakPolarHBondContact CA-OE2 3.02Å; T517-E520 WeakPolarHBondContact CB-OE2 3.47Å; T517-E520 WeakPolarHBondContact CG2-OE2 3.4Å; T517-E520 PolarHBondContact N-OE2 3.02Å; T517-E520 PolarHBondContact O-N 3.12Å; T517-E520 WeakPolarHBondContact OG1-CB 3.47Å; T517-E520 VanDerWaalsContact OG1-CG 3.29Å; T517-E520 WeakPolarHBondContact OG1-CG 3.42Å; T517-E520 PolarHBondContact OG1-N 3.31Å; T517-E520 VanDerWaalsContact OG1-N 3.14Å; T517-E520 PolarHBondContact OG1-OE2 3.25Å; E520-Y522 VanDerWaalsContact C-N 3.31Å; E520-Y522 PolarHBondContact O-N 3.42Å; E520-L524 WeakPolarHBondContact O-CB 3.35Å; E520-L524 PolarHBondContact O-N 2.85Å; E520-I590 HydrophobicContact CB-CD1 4.26Å |
| 521 | L | 85 | Confident | 87.2 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.3 | -40.6 | 174.5 | -171.5 | 62.7 | 0 | 0 | 0 | 112 | R482 M485 M486 F489 Y516 T517 K519 G525 | R482-L521 HydrophobicContact CG-CD2 4.27Å; M485-L521 HydrophobicContact CE-CG 4.27Å; M486-L521 VanDerWaalsContact O-CD1 3.26Å; M486-L521 WeakPolarHBondContact O-CD1 3.27Å; F489-L521 HydrophobicContact CE2-CD1 3.83Å; F489-L521 HydrophobicContact CZ-CD1 3.97Å; Y516-L521 HydrophobicContact CD1-CD1 4.26Å; Y516-L521 HydrophobicContact CD2-CB 3.65Å; Y516-L521 HydrophobicContact CD2-CD1 4.02Å; Y516-L521 HydrophobicContact CD2-CD2 4.3Å; Y516-L521 HydrophobicContact CD2-CG 4.19Å; Y516-L521 HydrophobicContact CE1-CD1 3.88Å; Y516-L521 HydrophobicContact CE2-CB 3.88Å; Y516-L521 HydrophobicContact CE2-CD1 3.68Å; Y516-L521 HydrophobicContact CE2-CD2 3.65Å; Y516-L521 HydrophobicContact CE2-CG 3.93Å; Y516-L521 HydrophobicContact CG-CB 4.29Å; Y516-L521 HydrophobicContact CG-CD1 4.32Å; T517-L521 PolarHBondContact O-N 2.67Å; K519-L521 VanDerWaalsContact C-N 3.29Å; K519-L521 PolarHBondContact O-N 3.25Å; L521-G525 PolarHBondContact O-N 3Å |
| 522 | Y | 83.2 | Confident | 87.2 | Confident | 124 Ų | 124 | 59.3 Ų | 59.3 | 49% | 0.486 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.9 | -49.9 | 178.1 | -176.5 | -96.1 | 0 | 0 | 0 | 111.8 | M485 M518 K519 E520 L524 G525 L526 | M485-Y522 HydrophobicContact CE-CD2 3.68Å; M485-Y522 HydrophobicContact CE-CG 4.16Å; M485-Y522 HydrophobicContact SD-CD2 4.4Å; M518-Y522 WeakPolarHBondContact O-CB 3.27Å; M518-Y522 PolarHBondContact O-N 3.31Å; K519-Y522 WeakPolarHBondContact O-CB 3.41Å; K519-Y522 PolarHBondContact O-N 2.92Å; K519-Y522 VanDerWaalsContact O-N 3.07Å; E520-Y522 VanDerWaalsContact C-N 3.31Å; E520-Y522 PolarHBondContact O-N 3.42Å; Y522-L524 PolarHBondContact O-N 3.1Å; Y522-G525 WeakPolarHBondContact O-CA 3.33Å; Y522-G525 PolarHBondContact O-N 3.31Å; Y522-G525 VanDerWaalsContact O-N 3.11Å; Y522-L526 HydrophobicContact CD1-CD1 3.9Å; Y522-L526 HydrophobicContact CD1-CG 4.37Å; Y522-L526 HydrophobicContact CE1-CD1 3.32Å; Y522-L526 HydrophobicContact CE1-CG 4.01Å; Y522-L526 PolarHBondContact O-N 2.73Å |
| 523 | D | 87.4 | Confident | 87.2 | Confident | 66 Ų | 66 | 63.8 Ų | 63.8 | 35% | 0.353 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.8 | -45 | 179.1 | -63.3 | -15.9 | 0 | 0 | 0 | 110.8 | K519 G525 L526 K527 | K519-D523 IonicContact NZ-OD2 3.84Å; K519-D523 PolarHBondContact NZ-OD2 2.99Å; K519-D523 VanDerWaalsContact O-CG 3.23Å; K519-D523 PolarHBondContact O-N 3.42Å; D523-G525 VanDerWaalsContact C-N 3.35Å; D523-G525 PolarHBondContact O-N 3.44Å; D523-L526 PolarHBondContact O-N 3.34Å; D523-K527 WeakPolarHBondContact O-CB 2.96Å; D523-K527 PolarHBondContact O-N 2.7Å |
| 524 | L | 89.9 | Confident | 87.5 | Confident | 5 Ų | 5 | 68 Ų | 68 | 3% | 0.026 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.4 | -41 | 174.2 | -175.9 | 63.2 | 0 | 0 | 0 | 111.7 | I472 F489 E520 Y522 K527 L528 V561 I590 | I472-L524 HydrophobicContact CD1-CD2 3.99Å; F489-L524 HydrophobicContact CE2-CD2 3.88Å; F489-L524 HydrophobicContact CZ-CD2 3.86Å; F489-L524 HydrophobicContact CZ-CG 4.47Å; E520-L524 WeakPolarHBondContact O-CB 3.35Å; E520-L524 PolarHBondContact O-N 2.85Å; Y522-L524 PolarHBondContact O-N 3.1Å; L524-K527 PolarHBondContact O-N 2.93Å; L524-L528 HydrophobicContact CD1-CD1 3.81Å; L524-L528 HydrophobicContact CD1-CG 4.02Å; L524-L528 HydrophobicContact CG-CD1 3.97Å; L524-L528 HydrophobicContact CG-CG 4.4Å; L524-L528 WeakPolarHBondContact O-CG 3.41Å; L524-L528 PolarHBondContact O-N 3.36Å; L524-V561 HydrophobicContact CD1-CB 4.39Å; L524-V561 HydrophobicContact CD1-CG1 4.47Å; L524-V561 HydrophobicContact CD1-CG2 4.42Å; L524-I590 HydrophobicContact CB-CD1 4.13Å; L524-I590 HydrophobicContact CD1-CD1 4.46Å; L524-I590 HydrophobicContact CD1-CG2 4.45Å; L524-I590 HydrophobicContact CD2-CD1 4.17Å; L524-I590 HydrophobicContact CG-CD1 4.49Å |
| 525 | G | 89.8 | Confident | 87.9 | Confident | 18 Ų | 18 | 67 Ų | 67 | 19% | 0.186 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.9 | -47.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L521 Y522 D523 L528 A529 | L521-G525 PolarHBondContact O-N 3Å; Y522-G525 WeakPolarHBondContact O-CA 3.33Å; Y522-G525 PolarHBondContact O-N 3.31Å; Y522-G525 VanDerWaalsContact O-N 3.11Å; D523-G525 VanDerWaalsContact C-N 3.35Å; D523-G525 PolarHBondContact O-N 3.44Å; G525-L528 PolarHBondContact O-N 2.94Å; G525-A529 WeakPolarHBondContact O-CA 3.47Å; G525-A529 WeakPolarHBondContact O-CB 3.46Å; G525-A529 PolarHBondContact O-N 3.27Å |
| 526 | L | 90 | Very high | 88.4 | Confident | 103 Ų | 103 | 72.6 Ų | 72.6 | 54% | 0.539 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 175.9 | -72.1 | 179.6 | 0 | 0 | 0 | 112 | Y522 D523 L528 A529 | Y522-L526 HydrophobicContact CD1-CD1 3.9Å; Y522-L526 HydrophobicContact CD1-CG 4.37Å; Y522-L526 HydrophobicContact CE1-CD1 3.32Å; Y522-L526 HydrophobicContact CE1-CG 4.01Å; Y522-L526 PolarHBondContact O-N 2.73Å; D523-L526 PolarHBondContact O-N 3.34Å; L526-L528 VanDerWaalsContact C-N 3.32Å; L526-L528 PolarHBondContact O-N 3.38Å; L526-A529 PolarHBondContact O-N 3.47Å |
| 527 | K | 92.9 | Very high | 88.8 | Confident | 90 Ų | 90 | 79.4 Ų | 79.4 | 39% | 0.391 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.2 | -43.5 | 178.6 | -174.7 | 174.9 | -174.6 | 174 | 0 | 112 | D523 L524 V561 E592 | D523-K527 WeakPolarHBondContact O-CB 2.96Å; D523-K527 PolarHBondContact O-N 2.7Å; L524-K527 PolarHBondContact O-N 2.93Å; K527-V561 HydrophobicContact CD-CG2 4.1Å; K527-E592 IonicContact NZ-OE1 3.46Å; K527-E592 PolarHBondContact NZ-OE1 2.98Å |
| 528 | L | 94.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 83.7 Ų | 83.7 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -88.8 | -13.6 | -176.2 | -57.9 | -177.4 | 0 | 0 | 0 | 113.8 | I472 L524 G525 L526 K530 H531 W532 I555 V561 | I472-L528 HydrophobicContact CD1-CD1 4.28Å; I472-L528 HydrophobicContact CG2-CD1 4.44Å; L524-L528 HydrophobicContact CD1-CD1 3.81Å; L524-L528 HydrophobicContact CD1-CG 4.02Å; L524-L528 HydrophobicContact CG-CD1 3.97Å; L524-L528 HydrophobicContact CG-CG 4.4Å; L524-L528 WeakPolarHBondContact O-CG 3.41Å; L524-L528 PolarHBondContact O-N 3.36Å; G525-L528 PolarHBondContact O-N 2.94Å; L526-L528 VanDerWaalsContact C-N 3.32Å; L526-L528 PolarHBondContact O-N 3.38Å; L528-K530 VanDerWaalsContact C-N 3.35Å; L528-K530 PolarHBondContact O-N 2.89Å; L528-H531 PolarHBondContact O-N 2.95Å; L528-W532 HydrophobicContact CB-CZ2 3.85Å; L528-W532 HydrophobicContact CD1-CH2 4.28Å; L528-W532 HydrophobicContact CD1-CZ2 3.71Å; L528-W532 HydrophobicContact CG-CZ2 4.44Å; L528-W532 VanDerWaalsContact O-CD1 3.29Å; L528-W532 PolarHBondContact O-NE1 3.11Å; L528-I555 HydrophobicContact CB-CD1 4.39Å; L528-I555 HydrophobicContact CD2-CD1 3.81Å; L528-V561 HydrophobicContact CD2-CG2 3.93Å |
| 529 | A | 91.5 | Very high | 90.3 | Very high | 60 Ų | 60 | 84.7 Ų | 84.7 | 50% | 0.496 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -51.1 | -47.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114 | G525 L526 H531 | G525-A529 WeakPolarHBondContact O-CA 3.47Å; G525-A529 WeakPolarHBondContact O-CB 3.46Å; G525-A529 PolarHBondContact O-N 3.27Å; L526-A529 PolarHBondContact O-N 3.47Å; A529-H531 PolarHBondContact O-N 3.5Å |
| 530 | K | 93.3 | Very high | 90.9 | Very high | 175 Ų | 175 | 81.1 Ų | 81.1 | 76% | 0.761 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -8.9 | -176.1 | 68.4 | -175.3 | -179 | -177.6 | 0 | 114.6 | L528 | L528-K530 VanDerWaalsContact C-N 3.35Å; L528-K530 PolarHBondContact O-N 2.89Å |
| 531 | H | 96.4 | Very high | 91.5 | Very high | 47 Ų | 47 | 78 Ų | 78 | 22% | 0.218 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -8.9 | -172.5 | -60.6 | -68.7 | 0 | 0 | 0 | 113.6 | L528 A529 I555 N559 | L528-H531 PolarHBondContact O-N 2.95Å; A529-H531 PolarHBondContact O-N 3.5Å; H531-I555 HydrophobicContact CB-CD1 3.53Å; H531-I555 HydrophobicContact CB-CG1 3.8Å; H531-N559 HydrophobicContact CB-CB 3.99Å |
| 532 | W | 95.8 | Very high | 91.9 | Very high | 43 Ų | 43 | 82.2 Ų | 82.2 | 16% | 0.163 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 131.8 | 178.8 | -67.9 | 119.9 | 0 | 0 | 0 | 112 | I472 M486 F489 L528 V553 I555 | I472-W532 HydrophobicContact CG2-CH2 3.85Å; M486-W532 HydrophobicContact CE-CD2 4.23Å; M486-W532 HydrophobicContact CE-CG 4.26Å; M486-W532 HydrophobicContact CG-CZ2 4.2Å; F489-W532 HydrophobicContact CD1-CH2 4.29Å; F489-W532 HydrophobicContact CD1-CZ2 4.36Å; F489-W532 HydrophobicContact CE1-CH2 4.49Å; F489-W532 HydrophobicContact CE1-CZ2 4.1Å; L528-W532 HydrophobicContact CB-CZ2 3.85Å; L528-W532 HydrophobicContact CD1-CH2 4.28Å; L528-W532 HydrophobicContact CD1-CZ2 3.71Å; L528-W532 HydrophobicContact CG-CZ2 4.44Å; L528-W532 VanDerWaalsContact O-CD1 3.29Å; L528-W532 PolarHBondContact O-NE1 3.11Å; W532-V553 HydrophobicContact CB-CB 4.22Å; W532-V553 HydrophobicContact CB-CG2 4.21Å; W532-V553 HydrophobicContact CD2-CB 4.45Å; W532-V553 HydrophobicContact CD2-CG2 3.68Å; W532-V553 HydrophobicContact CE3-CB 4.06Å; W532-V553 HydrophobicContact CE3-CG2 3.45Å; W532-V553 VanDerWaalsContact CE3-CG2 3.45Å; W532-V553 HydrophobicContact CG-CG2 4.02Å; W532-V553 HydrophobicContact CZ3-CG2 4.1Å; W532-I555 HydrophobicContact CE3-CB 3.8Å; W532-I555 HydrophobicContact CE3-CG2 4.35Å; W532-I555 HydrophobicContact CH2-CB 4.3Å; W532-I555 HydrophobicContact CH2-CG2 4.03Å; W532-I555 HydrophobicContact CZ3-CB 3.6Å; W532-I555 HydrophobicContact CZ3-CG2 3.62Å |
| 533 | K | 94.4 | Very high | 92.5 | Very high | 95 Ų | 95 | 77.3 Ų | 77.3 | 41% | 0.413 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 145.2 | 172.8 | -63 | 178.3 | -174.6 | 177.3 | 0 | 109.7 | Y535 V553 Y554 E556 | K533-Y535 PolarHBondContact O-N 3.32Å; K533-V553 CarbonylContact O-C 3.48Å; K533-V553 WeakPolarHBondContact O-CA 3.25Å; K533-V553 VanDerWaalsContact O-CB 3.3Å; K533-V553 WeakPolarHBondContact O-CB 3.36Å; K533-Y554 HydrophobicContact CB-CD1 3.9Å; K533-Y554 HydrophobicContact CB-CE1 3.42Å; K533-Y554 VanDerWaalsContact CB-CE1 3.42Å; K533-Y554 HydrophobicContact CB-CE2 4.25Å; K533-Y554 HydrophobicContact CB-CG 4.49Å; K533-Y554 HydrophobicContact CD-CE1 4.28Å; K533-Y554 HydrophobicContact CD-CE2 3.95Å; K533-Y554 VanDerWaalsContact CD-OH 3.29Å; K533-Y554 WeakPolarHBondContact CD-OH 3.22Å; K533-Y554 PolarHBondContact N-O 3.23Å; K533-Y554 WeakPolarHBondContact O-CD1 3.34Å; K533-Y554 PolarHBondContact O-N 3.36Å; K533-E556 IonicContact NZ-OE1 2.93Å; K533-E556 PolarHBondContact NZ-OE1 3.46Å |
| 534 | V | 93.1 | Very high | 93 | Very high | 101 Ų | 101 | 74.3 Ų | 74.3 | 61% | 0.612 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 128.1 | 179.1 | 178.1 | 0 | 0 | 0 | 0 | 110 | R536 | V534-R536 PolarHBondContact O-N 3Å |
| 535 | Y | 93.8 | Very high | 93.4 | Very high | 22 Ų | 22 | 76.9 Ų | 76.9 | 9% | 0.086 | 40% | 0.401 | C | S | . | . | trans | -79 | 120.7 | 176.1 | -172.4 | -89.3 | 0 | 0 | 0 | 110.5 | K533 K537 P540 P541 K550 P551 E552 Y554 | K533-Y535 PolarHBondContact O-N 3.32Å; Y535-K537 HydrophobicContact CE1-CG 4.49Å; Y535-P540 HydrophobicContact CE2-CB 4.39Å; Y535-P541 HydrophobicContact CD2-CG 4.44Å; Y535-P541 HydrophobicContact CE2-CG 4.22Å; Y535-K550 HydrophobicContact CD1-CB 4.13Å; Y535-K550 HydrophobicContact CE1-CB 3.77Å; Y535-K550 HydrophobicContact CE1-CD 3.93Å; Y535-K550 HydrophobicContact CE1-CG 3.99Å; Y535-P551 WeakPolarHBondContact CB-O 3.42Å; Y535-P551 HydrophobicContact CD2-CG 3.83Å; Y535-P551 HydrophobicContact CE2-CG 4.35Å; Y535-P551 HydrophobicContact CG-CG 4.01Å; Y535-E552 PolarHBondContact N-O 3.07Å; Y535-Y554 HydrophobicContact CD2-CD1 4.21Å; Y535-Y554 HydrophobicContact CD2-CG 4.45Å | ||
| 536 | R | 90.8 | Very high | 93.7 | Very high | 162 Ų | 162 | 76.8 Ų | 76.8 | 61% | 0.611 | 40% | 0.398 | S | S | * | . | B | Isolated β-bridge | trans | -109.3 | 122.5 | 178.4 | -65.1 | -178.6 | -178 | -178.4 | 0.6 | 109.9 | V534 N538 D539 | V534-R536 PolarHBondContact O-N 3Å; R536-N538 VanDerWaalsContact C-N 3.26Å; R536-N538 PolarHBondContact O-N 3.37Å; R536-D539 HydrophobicContact CB-CB 4.23Å; R536-D539 CarbonylContact O-C 3.56Å; R536-D539 PolarHBondContact O-N 3.02Å; R536-D539 VanDerWaalsContact O-N 3.13Å |
| 537 | K | 88.5 | Confident | 93.9 | Very high | 163 Ų | 163 | 72.7 Ų | 72.7 | 71% | 0.709 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -33.6 | -177.8 | -67.9 | -174.7 | 179.5 | -176.6 | 0 | 113.5 | Y535 D539 | Y535-K537 HydrophobicContact CE1-CG 4.49Å; K537-D539 VanDerWaalsContact C-N 3.31Å |
| 538 | N | 91.3 | Very high | 94 | Very high | 168 Ų | 168 | 73.1 Ų | 73.1 | 90% | 0.898 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -7.4 | -178.7 | -59.5 | -4.7 | 0 | 0 | 0 | 112.7 | R536 | R536-N538 VanDerWaalsContact C-N 3.26Å; R536-N538 PolarHBondContact O-N 3.37Å |
| 539 | D | 91.9 | Very high | 93.9 | Very high | 114 Ų | 114 | 74.5 Ų | 74.5 | 61% | 0.61 | 40% | 0.397 | S | S | * | . | B | Isolated β-bridge | trans | -147.1 | 67.6 | -177.6 | -177.3 | 30.6 | 0 | 0 | 0 | 109 | R536 K537 | R536-D539 HydrophobicContact CB-CB 4.23Å; R536-D539 CarbonylContact O-C 3.56Å; R536-D539 PolarHBondContact O-N 3.02Å; R536-D539 VanDerWaalsContact O-N 3.13Å; K537-D539 VanDerWaalsContact C-N 3.31Å |
| 540 | P | 92.4 | Very high | 94.1 | Very high | 66 Ų | 66 | 74.9 Ų | 74.9 | 43% | 0.429 | 39% | 0.387 | S | S | . | . | trans | -76.8 | 147.9 | -177.6 | 32.3 | -34.6 | 0 | 0 | 0 | 111.2 | Y535 A542 | Y535-P540 HydrophobicContact CE2-CB 4.39Å; P540-A542 PolarHBondContact O-N 3.2Å | ||
| 541 | P | 95 | Very high | 94.2 | Very high | 14 Ų | 14 | 67 Ų | 67 | 9% | 0.091 | 35% | 0.353 | C | S | . | . | trans | -63.6 | 131.3 | 175.5 | 27.6 | -35.8 | 0 | 0 | 0 | 111.6 | Y535 S543 I544 Y554 | Y535-P541 HydrophobicContact CD2-CG 4.44Å; Y535-P541 HydrophobicContact CE2-CG 4.22Å; P541-S543 PolarHBondContact O-N 3.4Å; P541-I544 HydrophobicContact CG-CB 4.1Å; P541-I544 HydrophobicContact CG-CD1 4.08Å; P541-I544 HydrophobicContact CG-CG1 4.4Å; P541-I544 PolarHBondContact O-N 2.65Å; P541-Y554 HydrophobicContact CB-CD2 3.92Å; P541-Y554 HydrophobicContact CB-CE2 3.53Å; P541-Y554 HydrophobicContact CG-CD1 4.28Å; P541-Y554 HydrophobicContact CG-CD2 3.67Å; P541-Y554 HydrophobicContact CG-CE1 4.38Å; P541-Y554 HydrophobicContact CG-CE2 3.78Å; P541-Y554 HydrophobicContact CG-CG 3.91Å | ||
| 542 | A | 94.5 | Very high | 94 | Very high | 89 Ų | 89 | 67.2 Ų | 67.2 | 74% | 0.736 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -27.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P540 I544 | P540-A542 PolarHBondContact O-N 3.2Å; A542-I544 VanDerWaalsContact C-N 3.28Å; A542-I544 PolarHBondContact O-N 3.38Å |
| 543 | S | 96.1 | Very high | 94 | Very high | 21 Ų | 21 | 65.7 Ų | 65.7 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -14.1 | 179.3 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | S504 F506 P541 E556 | S504-S543 WeakPolarHBondContact O-CA 3.4Å; S504-S543 WeakPolarHBondContact O-CB 3.39Å; F506-S543 PolarHBondContact N-O 3.37Å; P541-S543 PolarHBondContact O-N 3.4Å; S543-E556 PolarHBondContact OG-OE2 3.24Å; S543-E556 VanDerWaalsContact OG-OE2 3.12Å |
| 544 | I | 97.6 | Very high | 94.1 | Very high | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 109.5 | -173.7 | -51.6 | 163.9 | 0 | 0 | 0 | 110.7 | V473 F506 P541 A542 Y554 I555 | V473-I544 HydrophobicContact CB-CD1 4.07Å; V473-I544 HydrophobicContact CB-CG1 4.26Å; V473-I544 HydrophobicContact CB-CG2 3.99Å; V473-I544 HydrophobicContact CG2-CG2 3.98Å; V473-I544 WeakPolarHBondContact O-CD1 3.21Å; F506-I544 WeakPolarHBondContact O-CA 3.45Å; P541-I544 HydrophobicContact CG-CB 4.1Å; P541-I544 HydrophobicContact CG-CD1 4.08Å; P541-I544 HydrophobicContact CG-CG1 4.4Å; P541-I544 PolarHBondContact O-N 2.65Å; A542-I544 VanDerWaalsContact C-N 3.28Å; A542-I544 PolarHBondContact O-N 3.38Å; I544-Y554 HydrophobicContact CD1-CD2 3.8Å; I544-Y554 HydrophobicContact CD1-CG 4.35Å; I544-I555 WeakPolarHBondContact CD1-O 3.49Å |
| 545 | L | 97.4 | Very high | 94.4 | Very high | 58 Ų | 58 | 57.9 Ų | 57.9 | 30% | 0.304 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 110.9 | 177.5 | -55 | -174.1 | 0 | 0 | 0 | 110.6 | V505 F506 S508 K577 | V505-L545 HydrophobicContact CG1-CD1 3.6Å; V505-L545 HydrophobicContact CG1-CG 3.72Å; F506-L545 PolarHBondContact O-N 2.74Å; S508-L545 PolarHBondContact N-O 2.85Å; S508-L545 PolarHBondContact OG-O 3.3Å; S508-L545 VanDerWaalsContact OG-O 3.11Å; L545-K577 HydrophobicContact CB-CD 4.25Å; L545-K577 HydrophobicContact CB-CG 3.81Å; L545-K577 WeakPolarHBondContact O-CB 3.27Å |
| 546 | C | 96.6 | Very high | 94.5 | Very high | 17 Ų | 17 | 58.9 Ų | 58.9 | 12% | 0.115 | 31% | 0.313 | C | S | . | . | trans | -100.8 | 140.9 | -180 | -66.3 | 0 | 0 | 0 | 0 | 112.5 | S508 K550 | S508-C546 WeakPolarHBondContact OG-CA 3.44Å; C546-K550 HydrophobicContact CB-CD 3.61Å; C546-K550 PolarHBondContact O-NZ 3.47Å | ||
| 547 | G | 93.9 | Very high | 94.8 | Very high | 17 Ų | 17 | 51.5 Ų | 51.5 | 18% | 0.175 | 29% | 0.286 | C | S | . | . | trans | -74.3 | -142.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S508 K550 M575 | S508-G547 PolarHBondContact OG-N 3.02Å; G547-K550 WeakPolarHBondContact O-CE 3.44Å; G547-K550 PolarHBondContact O-NZ 3.31Å; G547-M575 CarbonylContact C-O 3.14Å | ||
| 548 | V | 94 | Very high | 95.2 | Very high | 98 Ų | 98 | 47.1 Ų | 47.1 | 59% | 0.594 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -64.7 | -40.2 | 173.5 | -179.7 | 0 | 0 | 0 | 0 | 111.4 | K550 M575 | V548-K550 PolarHBondContact O-N 3.22Å; V548-M575 HydrophobicContact CB-CE 4.21Å; V548-M575 HydrophobicContact CB-SD 4.07Å; V548-M575 HydrophobicContact CG1-CE 4.05Å; V548-M575 HydrophobicContact CG1-SD 4.08Å; V548-M575 PolarHBondContact N-O 3Å |
| 549 | E | 93.9 | Very high | 95.5 | Very high | 30 Ų | 30 | 42.4 Ų | 42.4 | 14% | 0.14 | 25% | 0.25 | C | S | . | . | trans | -71 | 124.5 | 178.6 | -176.4 | 70.6 | 175.9 | 0 | 0 | 110.5 | Y476 L490 R511 M575 Y576 | Y476-E549 WeakPolarHBondContact OH-CG 3.26Å; Y476-E549 PolarHBondContact OH-OE1 2.87Å; L490-E549 HydrophobicContact CD1-CG 4.49Å; R511-E549 IonicContact CZ-OE1 2.83Å; R511-E549 IonicContact NE-OE1 2.82Å; R511-E549 IonicContact NH1-OE1 4Å; R511-E549 PolarHBondContact NH1-OE1 2.84Å; E549-M575 HydrophobicContact CB-CE 4.07Å; E549-M575 WeakPolarHBondContact CB-O 3.5Å; E549-M575 PolarHBondContact N-O 2.82Å; E549-Y576 HydrophobicContact CB-CD1 4.29Å; E549-Y576 HydrophobicContact CB-CE1 3.97Å; E549-Y576 HydrophobicContact CG-CE1 3.98Å | ||
| 550 | K | 94.8 | Very high | 95.7 | Very high | 69 Ų | 69 | 37.6 Ų | 37.6 | 30% | 0.3 | 23% | 0.225 | S | C | . | . | trans | -121.6 | 137.3 | 179.1 | -53.3 | -53.4 | -169.4 | -177.2 | 0 | 110 | Y476 Y535 C546 G547 V548 | Y476-K550 WeakPolarHBondContact CE1-O 3.36Å; Y476-K550 PolarHBondContact OH-O 2.82Å; Y535-K550 HydrophobicContact CD1-CB 4.13Å; Y535-K550 HydrophobicContact CE1-CB 3.77Å; Y535-K550 HydrophobicContact CE1-CD 3.93Å; Y535-K550 HydrophobicContact CE1-CG 3.99Å; C546-K550 HydrophobicContact CB-CD 3.61Å; C546-K550 PolarHBondContact O-NZ 3.47Å; G547-K550 WeakPolarHBondContact O-CE 3.44Å; G547-K550 PolarHBondContact O-NZ 3.31Å; V548-K550 PolarHBondContact O-N 3.22Å | ||
| 551 | P | 95.8 | Very high | 96 | Very high | 8 Ų | 8 | 35 Ų | 35 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | trans | -76.1 | 164.9 | 177 | 36.6 | -35.3 | 0 | 0 | 0 | 111.3 | Y476 L490 Y535 V553 | Y476-P551 HydrophobicContact CE2-CB 4.42Å; Y476-P551 WeakPolarHBondContact OH-CA 3.06Å; L490-P551 HydrophobicContact CB-CB 4.29Å; L490-P551 HydrophobicContact CD2-CB 4.07Å; L490-P551 HydrophobicContact CD2-CG 3.87Å; Y535-P551 WeakPolarHBondContact CB-O 3.42Å; Y535-P551 HydrophobicContact CD2-CG 3.83Å; Y535-P551 HydrophobicContact CE2-CG 4.35Å; Y535-P551 HydrophobicContact CG-CG 4.01Å; P551-V553 VanDerWaalsContact CB-O 3.32Å; P551-V553 WeakPolarHBondContact CB-O 3.27Å | ||
| 552 | E | 92.8 | Very high | 96.1 | Very high | 52 Ų | 52 | 34.4 Ų | 34.4 | 24% | 0.243 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -79.4 | -37.3 | 173.6 | -68.7 | 171.9 | 179.5 | 0 | 0 | 110.5 | R119 G475 Y476 W477 Y535 | R119-E552 IonicContact CZ-OE1 2.8Å; R119-E552 IonicContact NH1-OE1 3.31Å; R119-E552 PolarHBondContact NH1-OE1 2.96Å; R119-E552 IonicContact NH2-OE1 3.28Å; R119-E552 PolarHBondContact NH2-OE1 3.22Å; G475-E552 PolarHBondContact O-N 2.82Å; Y476-E552 HydrophobicContact CD1-CG 4.18Å; W477-E552 WeakPolarHBondContact CB-OE2 3.49Å; W477-E552 PolarHBondContact N-OE2 3.04Å; Y535-E552 PolarHBondContact N-O 3.07Å |
| 553 | V | 95.1 | Very high | 96.3 | Very high | 12 Ų | 12 | 30.1 Ų | 30.1 | 7% | 0.073 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 152.5 | 172.6 | -64.5 | 0 | 0 | 0 | 0 | 110.1 | G474 G475 M486 W532 K533 P551 | G474-V553 CarbonylContact C-O 2.77Å; G474-V553 WeakPolarHBondContact CA-O 3.48Å; G475-V553 PolarHBondContact N-O 3.29Å; G475-V553 PolarHBondContact O-N 2.82Å; M486-V553 HydrophobicContact CE-CG2 3.36Å; M486-V553 HydrophobicContact SD-CG2 3.94Å; W532-V553 HydrophobicContact CB-CB 4.22Å; W532-V553 HydrophobicContact CB-CG2 4.21Å; W532-V553 HydrophobicContact CD2-CB 4.45Å; W532-V553 HydrophobicContact CD2-CG2 3.68Å; W532-V553 HydrophobicContact CE3-CB 4.06Å; W532-V553 HydrophobicContact CE3-CG2 3.45Å; W532-V553 VanDerWaalsContact CE3-CG2 3.45Å; W532-V553 HydrophobicContact CG-CG2 4.02Å; W532-V553 HydrophobicContact CZ3-CG2 4.1Å; K533-V553 CarbonylContact O-C 3.48Å; K533-V553 WeakPolarHBondContact O-CA 3.25Å; K533-V553 VanDerWaalsContact O-CB 3.3Å; K533-V553 WeakPolarHBondContact O-CB 3.36Å; P551-V553 VanDerWaalsContact CB-O 3.32Å; P551-V553 WeakPolarHBondContact CB-O 3.27Å |
| 554 | Y | 97.8 | Very high | 96.3 | Very high | 32 Ų | 32 | 30.8 Ų | 30.8 | 13% | 0.125 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 161.6 | 173.8 | 78.6 | -83 | 0 | 0 | 0 | 111 | V473 K533 Y535 P541 I544 E556 | V473-Y554 WeakPolarHBondContact O-CA 3.32Å; K533-Y554 HydrophobicContact CB-CD1 3.9Å; K533-Y554 HydrophobicContact CB-CE1 3.42Å; K533-Y554 VanDerWaalsContact CB-CE1 3.42Å; K533-Y554 HydrophobicContact CB-CE2 4.25Å; K533-Y554 HydrophobicContact CB-CG 4.49Å; K533-Y554 HydrophobicContact CD-CE1 4.28Å; K533-Y554 HydrophobicContact CD-CE2 3.95Å; K533-Y554 VanDerWaalsContact CD-OH 3.29Å; K533-Y554 WeakPolarHBondContact CD-OH 3.22Å; K533-Y554 PolarHBondContact N-O 3.23Å; K533-Y554 WeakPolarHBondContact O-CD1 3.34Å; K533-Y554 PolarHBondContact O-N 3.36Å; Y535-Y554 HydrophobicContact CD2-CD1 4.21Å; Y535-Y554 HydrophobicContact CD2-CG 4.45Å; P541-Y554 HydrophobicContact CB-CD2 3.92Å; P541-Y554 HydrophobicContact CB-CE2 3.53Å; P541-Y554 HydrophobicContact CG-CD1 4.28Å; P541-Y554 HydrophobicContact CG-CD2 3.67Å; P541-Y554 HydrophobicContact CG-CE1 4.38Å; P541-Y554 HydrophobicContact CG-CE2 3.78Å; P541-Y554 HydrophobicContact CG-CG 3.91Å; I544-Y554 HydrophobicContact CD1-CD2 3.8Å; I544-Y554 HydrophobicContact CD1-CG 4.35Å; Y554-E556 WeakPolarHBondContact CE2-OE1 3.37Å |
| 555 | I | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 136.6 | 175.8 | -173.7 | 166.5 | 0 | 0 | 0 | 108.5 | I472 V473 L528 H531 W532 I544 N559 | I472-I555 HydrophobicContact CG2-CG2 4.4Å; V473-I555 PolarHBondContact O-N 3.01Å; L528-I555 HydrophobicContact CB-CD1 4.39Å; L528-I555 HydrophobicContact CD2-CD1 3.81Å; H531-I555 HydrophobicContact CB-CD1 3.53Å; H531-I555 HydrophobicContact CB-CG1 3.8Å; W532-I555 HydrophobicContact CE3-CB 3.8Å; W532-I555 HydrophobicContact CE3-CG2 4.35Å; W532-I555 HydrophobicContact CH2-CB 4.3Å; W532-I555 HydrophobicContact CH2-CG2 4.03Å; W532-I555 HydrophobicContact CZ3-CB 3.6Å; W532-I555 HydrophobicContact CZ3-CG2 3.62Å; I544-I555 WeakPolarHBondContact CD1-O 3.49Å; I555-N559 HydrophobicContact CD1-CB 4.27Å; I555-N559 WeakPolarHBondContact CD1-O 3.38Å; I555-N559 HydrophobicContact CG1-CB 4.18Å |
| 556 | E | 97.4 | Very high | 95.9 | Very high | 42 Ų | 42 | 28.5 Ų | 28.5 | 20% | 0.196 | 16% | 0.157 | C | C | . | . | trans | -61.1 | 133.2 | 173.1 | -62.5 | -60.9 | 164.7 | 0 | 0 | 109.5 | K533 S543 Y554 C558 N559 | K533-E556 IonicContact NZ-OE1 2.93Å; K533-E556 PolarHBondContact NZ-OE1 3.46Å; S543-E556 PolarHBondContact OG-OE2 3.24Å; S543-E556 VanDerWaalsContact OG-OE2 3.12Å; Y554-E556 WeakPolarHBondContact CE2-OE1 3.37Å; E556-C558 PolarHBondContact O-N 2.86Å; E556-N559 PolarHBondContact O-N 3.2Å | ||
| 557 | P | 97.2 | Very high | 95.6 | Very high | 8 Ų | 8 | 27.8 Ų | 27.8 | 5% | 0.052 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -49.5 | -38.6 | -174.8 | -33 | 36.8 | 0 | 0 | 0 | 114.5 | L471 F506 N559 S560 W596 | L471-P557 HydrophobicContact CD2-CB 3.68Å; F506-P557 HydrophobicContact CD2-CB 3.81Å; F506-P557 HydrophobicContact CD2-CG 3.44Å; F506-P557 VanDerWaalsContact CD2-CG 3.44Å; F506-P557 HydrophobicContact CE2-CB 3.4Å; F506-P557 HydrophobicContact CE2-CG 3.58Å; F506-P557 HydrophobicContact CG-CG 4.28Å; F506-P557 HydrophobicContact CZ-CB 3.92Å; F506-P557 HydrophobicContact CZ-CG 4.48Å; P557-N559 PolarHBondContact O-N 3.38Å; P557-S560 WeakPolarHBondContact O-CB 3.3Å; P557-S560 PolarHBondContact O-N 3.18Å; P557-S560 VanDerWaalsContact O-N 3.07Å; P557-W596 HydrophobicContact CB-CE3 3.88Å; P557-W596 HydrophobicContact CB-CZ3 4.07Å; P557-W596 VanDerWaalsContact O-CB 3.23Å; P557-W596 WeakPolarHBondContact O-CB 3.4Å |
| 558 | C | 96.3 | Very high | 95.3 | Very high | 71 Ų | 71 | 27.9 Ų | 27.9 | 48% | 0.48 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | -65.7 | -19.1 | -179.3 | 60.4 | 0 | 0 | 0 | 0 | 115.7 | E556 W596 | E556-C558 PolarHBondContact O-N 2.86Å; C558-W596 HydrophobicContact CB-CD2 4.35Å; C558-W596 HydrophobicContact CB-CZ2 3.97Å |
| 559 | N | 97.1 | Very high | 95 | Very high | 69 Ų | 69 | 23.6 Ų | 23.6 | 37% | 0.369 | 13% | 0.125 | S | C | . | . | G | 310 helix | trans | -101.9 | 3.5 | 176.5 | -64 | -58.6 | 0 | 0 | 0 | 112.4 | H531 I555 E556 P557 | H531-N559 HydrophobicContact CB-CB 3.99Å; I555-N559 HydrophobicContact CD1-CB 4.27Å; I555-N559 WeakPolarHBondContact CD1-O 3.38Å; I555-N559 HydrophobicContact CG1-CB 4.18Å; E556-N559 PolarHBondContact O-N 3.2Å; P557-N559 PolarHBondContact O-N 3.38Å |
| 560 | S | 97.5 | Very high | 95 | Very high | 13 Ų | 13 | 22.6 Ų | 22.6 | 9% | 0.091 | 12% | 0.12 | C | C | . | . | trans | -97.5 | -179.7 | -172.4 | -160.4 | 0 | 0 | 0 | 0 | 112.7 | I472 P557 | I472-S560 WeakPolarHBondContact CB-OG 3.39Å; I472-S560 VanDerWaalsContact O-CB 3.25Å; I472-S560 WeakPolarHBondContact O-CB 3.29Å; I472-S560 PolarHBondContact O-OG 2.93Å; P557-S560 WeakPolarHBondContact O-CB 3.3Å; P557-S560 PolarHBondContact O-N 3.18Å; P557-S560 VanDerWaalsContact O-N 3.07Å | ||
| 561 | V | 97.2 | Very high | 94.8 | Very high | 12 Ų | 12 | 20.5 Ų | 20.5 | 7% | 0.073 | 11% | 0.114 | C | C | . | . | trans | -128.4 | 139.1 | -174.4 | 176.3 | 0 | 0 | 0 | 0 | 109.7 | I472 L524 K527 L528 I590 | I472-V561 PolarHBondContact N-O 3.43Å; I472-V561 VanDerWaalsContact N-O 3.15Å; L524-V561 HydrophobicContact CD1-CB 4.39Å; L524-V561 HydrophobicContact CD1-CG1 4.47Å; L524-V561 HydrophobicContact CD1-CG2 4.42Å; K527-V561 HydrophobicContact CD-CG2 4.1Å; L528-V561 HydrophobicContact CD2-CG2 3.93Å; V561-I590 HydrophobicContact CG1-CG2 3.51Å | ||
| 562 | I | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 138.9 | 171.2 | -67.8 | 177.5 | 0 | 0 | 0 | 109.6 | D469 L470 L471 R591 K594 E595 Q598 C599 | D469-I562 HydrophobicContact CB-CG2 3.82Å; L470-I562 CarbonylContact O-C 3.48Å; L470-I562 WeakPolarHBondContact O-CA 3.34Å; L471-I562 HydrophobicContact CD1-CG1 3.73Å; I562-R591 HydrophobicContact CB-CB 4.13Å; I562-R591 HydrophobicContact CG2-CB 3.91Å; I562-R591 HydrophobicContact CG2-CG 4.1Å; I562-R591 WeakPolarHBondContact O-CB 3.38Å; I562-R591 PolarHBondContact O-N 3.34Å; I562-K594 HydrophobicContact CB-CB 4.48Å; I562-K594 HydrophobicContact CD1-CB 4Å; I562-K594 HydrophobicContact CG2-CD 4.48Å; I562-E595 WeakPolarHBondContact CD1-O 3.37Å; I562-Q598 HydrophobicContact CD1-CB 4.29Å; I562-C599 HydrophobicContact CD1-CB 4.21Å; I562-C599 VanDerWaalsContact CD1-N 3.32Å |
| 563 | I | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 136.1 | 172.8 | 49.4 | 169.7 | 0 | 0 | 0 | 109.5 | L470 I472 C491 I512 V565 I587 K589 I590 | L470-I563 PolarHBondContact N-O 3.3Å; L470-I563 WeakPolarHBondContact O-CG1 3.39Å; L470-I563 PolarHBondContact O-N 3.49Å; I472-I563 HydrophobicContact CD1-CD1 4.37Å; I472-I563 HydrophobicContact CD1-CG2 3.96Å; I472-I563 HydrophobicContact CG1-CD1 3.92Å; I472-I563 HydrophobicContact CG1-CG1 4.15Å; I472-I563 HydrophobicContact CG1-CG2 4.36Å; C491-I563 VanDerWaalsContact SG-CD1 3.6Å; I512-I563 HydrophobicContact CD1-CD1 4.3Å; I563-V565 HydrophobicContact CD1-CG2 4.03Å; I563-V565 HydrophobicContact CG1-CG2 4.05Å; I563-I587 HydrophobicContact CB-CG1 4.31Å; I563-I587 HydrophobicContact CB-CG2 4.31Å; I563-I587 HydrophobicContact CD1-CD1 3.8Å; I563-I587 HydrophobicContact CD1-CG1 3.7Å; I563-I587 HydrophobicContact CG2-CG2 4.33Å; I563-K589 WeakPolarHBondContact CA-O 3.38Å; I563-I590 HydrophobicContact CG2-CG1 4.44Å |
| 564 | Q | 96.4 | Very high | 94.2 | Very high | 35 Ų | 35 | 25.9 Ų | 25.9 | 16% | 0.164 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 123.1 | 172.6 | -174 | 171.7 | 16.7 | 0 | 0 | 108 | E467 E588 K589 R591 | E467-Q564 HydrophobicContact CB-CG 4.11Å; E467-Q564 PolarHBondContact OE2-NE2 2.91Å; Q564-E588 PolarHBondContact O-N 3.36Å; Q564-K589 HydrophobicContact CB-CB 4.1Å; Q564-K589 PolarHBondContact N-O 3.35Å; Q564-K589 PolarHBondContact O-N 3.08Å; Q564-R591 HydrophobicContact CB-CG 3.85Å |
| 565 | V | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 130.3 | -170.2 | 177.4 | 0 | 0 | 0 | 0 | 110.1 | L468 L470 I512 I563 L582 P585 R586 | L468-V565 PolarHBondContact N-O 2.93Å; L468-V565 PolarHBondContact O-N 3.29Å; L470-V565 HydrophobicContact CB-CG2 4.46Å; L470-V565 HydrophobicContact CD1-CB 4.2Å; L470-V565 HydrophobicContact CD1-CG1 4.43Å; L470-V565 HydrophobicContact CD1-CG2 3.99Å; L470-V565 HydrophobicContact CG-CB 4.49Å; L470-V565 HydrophobicContact CG-CG2 4.24Å; I512-V565 HydrophobicContact CD1-CB 4.18Å; I512-V565 HydrophobicContact CD1-CG1 3.59Å; I512-V565 HydrophobicContact CD1-CG2 3.45Å; I512-V565 VanDerWaalsContact CD1-CG2 3.45Å; I563-V565 HydrophobicContact CD1-CG2 4.03Å; I563-V565 HydrophobicContact CG1-CG2 4.05Å; V565-L582 HydrophobicContact CG1-CD1 3.62Å; V565-P585 HydrophobicContact CG1-CB 3.97Å; V565-R586 WeakPolarHBondContact CA-O 3.41Å |
| 566 | K | 91.8 | Very high | 93.8 | Very high | 14 Ų | 14 | 28.8 Ų | 28.8 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 136 | 169.1 | -173.6 | 176 | -71.7 | 159.7 | 0 | 108.9 | M465 E467 P585 R586 E588 | M465-K566 HydrophobicContact CB-CD 4.24Å; M465-K566 HydrophobicContact CB-CG 3.98Å; M465-K566 HydrophobicContact CG-CD 3.99Å; M465-K566 HydrophobicContact CG-CG 3.97Å; E467-K566 WeakPolarHBondContact OE1-CE 3.22Å; E467-K566 IonicContact OE1-NZ 3.33Å; K566-P585 CarbonylContact O-C 3.59Å; K566-P585 WeakPolarHBondContact O-CA 3.46Å; K566-R586 PolarHBondContact N-O 3.44Å; K566-R586 PolarHBondContact O-N 3.12Å; K566-E588 HydrophobicContact CB-CG 3.42Å; K566-E588 VanDerWaalsContact CB-CG 3.42Å; K566-E588 WeakPolarHBondContact CB-OE1 3.42Å; K566-E588 HydrophobicContact CD-CG 4.28Å; K566-E588 HydrophobicContact CG-CG 4.48Å; K566-E588 VanDerWaalsContact NZ-CD 3.3Å; K566-E588 IonicContact NZ-OE1 3.96Å; K566-E588 IonicContact NZ-OE2 2.71Å; K566-E588 PolarHBondContact NZ-OE2 3.2Å |
| 567 | A | 90.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | trans | -146.7 | 159 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | M465 L582 P585 L616 | M465-A567 WeakPolarHBondContact CE-O 3.46Å; A567-L582 HydrophobicContact CB-CB 3.76Å; A567-L582 HydrophobicContact CB-CD1 3.91Å; A567-L582 HydrophobicContact CB-CD2 3.87Å; A567-L582 HydrophobicContact CB-CG 4.06Å; A567-P585 HydrophobicContact CB-CB 4.33Å; A567-L616 HydrophobicContact CB-CD1 3.75Å; A567-L616 VanDerWaalsContact O-CD1 3.32Å; A567-L616 WeakPolarHBondContact O-CD1 3.13Å | ||
| 568 | A | 86.9 | Confident | 93.8 | Very high | 19 Ų | 19 | 31.7 Ų | 31.7 | 16% | 0.157 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -72.9 | -43.6 | 180 | 0 | 0 | 0 | 0 | 0 | 111.6 | R583 F584 L616 | A568-R583 PolarHBondContact N-O 3.08Å; A568-F584 HydrophobicContact CB-CD2 4.25Å; A568-L616 PolarHBondContact O-N 2.86Å; A568-L616 VanDerWaalsContact O-N 3.13Å |
| 569 | E | 89.1 | Confident | 93.7 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 161.6 | -174.2 | 57 | -179.1 | -175.6 | 0 | 0 | 112.5 | Q350 V571 R583 G614 K615 | Q350-E569 PolarHBondContact OE1-OE2 3.26Å; E569-V571 HydrophobicContact CG-CG1 3.8Å; E569-R583 HydrophobicContact CG-CB 3.64Å; E569-R583 HydrophobicContact CG-CG 4.4Å; E569-R583 PolarHBondContact O-N 3.23Å; E569-R583 WeakPolarHBondContact OE1-CD 3.48Å; E569-R583 IonicContact OE1-CZ 3.5Å; E569-R583 IonicContact OE1-NE 2.62Å; E569-R583 IonicContact OE1-NH1 3.54Å; E569-R583 PolarHBondContact OE1-NH1 2.99Å; E569-G614 CarbonylContact C-O 3.51Å; E569-G614 WeakPolarHBondContact CA-O 3.3Å; E569-G614 WeakPolarHBondContact CB-O 3.48Å; E569-K615 HydrophobicContact CB-CD 4.01Å; E569-K615 WeakPolarHBondContact OE2-CD 3.34Å; E569-K615 WeakPolarHBondContact OE2-CE 3.45Å; E569-K615 IonicContact OE2-NZ 2.85Å; E569-K615 PolarHBondContact OE2-NZ 3.12Å |
| 570 | I | 92.7 | Very high | 93.5 | Very high | 9 Ų | 9 | 30.6 Ų | 30.6 | 5% | 0.046 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 120.7 | 170 | -58.7 | 163.8 | 0 | 0 | 0 | 108.2 | C580 T581 L582 L605 F608 R609 G614 L616 | I570-C580 HydrophobicContact CG2-CB 3.97Å; I570-T581 CarbonylContact C-O 3.53Å; I570-T581 WeakPolarHBondContact CA-O 3.33Å; I570-L582 HydrophobicContact CG1-CD2 3.81Å; I570-L605 HydrophobicContact CD1-CD1 3.88Å; I570-L605 HydrophobicContact CG2-CD1 4.49Å; I570-F608 HydrophobicContact CD1-CB 3.81Å; I570-R609 HydrophobicContact CD1-CB 4.3Å; I570-R609 HydrophobicContact CG2-CG 4.34Å; I570-G614 PolarHBondContact N-O 2.83Å; I570-L616 HydrophobicContact CD1-CD2 4.09Å; I570-L616 HydrophobicContact CG1-CD1 4.44Å; I570-L616 HydrophobicContact CG1-CD2 4.34Å; I570-L616 HydrophobicContact CG1-CG 4.48Å |
| 571 | V | 90.3 | Very high | 93.4 | Very high | 26 Ų | 26 | 30.9 Ų | 30.9 | 16% | 0.158 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 152.5 | -177.5 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | E569 C580 T581 R583 | E569-V571 HydrophobicContact CG-CG1 3.8Å; V571-C580 CarbonylContact O-C 3.56Å; V571-C580 WeakPolarHBondContact O-CA 3.48Å; V571-C580 WeakPolarHBondContact O-CB 3.45Å; V571-T581 HydrophobicContact CG2-CG2 3.87Å; V571-T581 PolarHBondContact N-O 3.27Å; V571-T581 PolarHBondContact O-N 3.33Å; V571-R583 HydrophobicContact CG1-CB 4.33Å |
| 572 | G | 89.6 | Confident | 93.3 | Very high | 39 Ų | 39 | 30.8 Ų | 30.8 | 40% | 0.402 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 139.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 573 | S | 90.1 | Very high | 92.9 | Very high | 21 Ų | 21 | 32.2 Ų | 32.2 | 15% | 0.147 | 18% | 0.176 | C | C | . | . | trans | -157.5 | 129.9 | -177.5 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | M575 N579 C580 | S573-M575 VanDerWaalsContact C-N 3.35Å; S573-M575 WeakPolarHBondContact OG-CB 3.35Å; S573-M575 PolarHBondContact OG-N 2.64Å; S573-N579 PolarHBondContact N-O 3.46Å; S573-N579 CarbonylContact O-C 3.59Å; S573-N579 WeakPolarHBondContact O-CA 3.23Å; S573-C580 PolarHBondContact O-N 3.15Å | ||
| 574 | D | 91.4 | Very high | 92.4 | Very high | 124 Ų | 124 | 37.6 Ų | 37.6 | 66% | 0.663 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -13.3 | 172.6 | 57.5 | -9.3 | 0 | 0 | 0 | 113.4 | Y576 | D574-Y576 VanDerWaalsContact C-N 3.27Å; D574-Y576 PolarHBondContact O-N 3.02Å |
| 575 | M | 92.1 | Very high | 92.2 | Very high | 66 Ų | 66 | 37 Ų | 37 | 33% | 0.325 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -25.4 | -179 | -66.3 | -63.4 | -59.7 | 0 | 0 | 114.5 | G547 V548 E549 S573 | G547-M575 CarbonylContact C-O 3.14Å; V548-M575 HydrophobicContact CB-CE 4.21Å; V548-M575 HydrophobicContact CB-SD 4.07Å; V548-M575 HydrophobicContact CG1-CE 4.05Å; V548-M575 HydrophobicContact CG1-SD 4.08Å; V548-M575 PolarHBondContact N-O 3Å; E549-M575 HydrophobicContact CB-CE 4.07Å; E549-M575 WeakPolarHBondContact CB-O 3.5Å; E549-M575 PolarHBondContact N-O 2.82Å; S573-M575 VanDerWaalsContact C-N 3.35Å; S573-M575 WeakPolarHBondContact OG-CB 3.35Å; S573-M575 PolarHBondContact OG-N 2.64Å |
| 576 | Y | 96.6 | Very high | 92 | Very high | 27 Ų | 27 | 43.7 Ų | 43.7 | 11% | 0.106 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -123.2 | 155.7 | -170.1 | -59.9 | -78.1 | 0 | 0 | 0 | 111 | L490 F509 R511 E549 D574 T578 N579 T581 | L490-Y576 HydrophobicContact CD1-CD1 4.16Å; L490-Y576 HydrophobicContact CD1-CE1 3.85Å; F509-Y576 VanDerWaalsContact O-CD2 3.32Å; F509-Y576 WeakPolarHBondContact O-CD2 3.26Å; R511-Y576 WeakPolarHBondContact CB-OH 3.35Å; R511-Y576 PolarHBondContact N-OH 3.5Å; E549-Y576 HydrophobicContact CB-CD1 4.29Å; E549-Y576 HydrophobicContact CB-CE1 3.97Å; E549-Y576 HydrophobicContact CG-CE1 3.98Å; D574-Y576 VanDerWaalsContact C-N 3.27Å; D574-Y576 PolarHBondContact O-N 3.02Å; Y576-T578 VanDerWaalsContact C-N 3.28Å; Y576-T578 PolarHBondContact O-N 3.27Å; Y576-N579 PolarHBondContact O-N 2.95Å; Y576-N579 VanDerWaalsContact O-N 3.12Å; Y576-T581 HydrophobicContact CD2-CG2 4.33Å; Y576-T581 WeakPolarHBondContact CD2-OG1 3.48Å; Y576-T581 HydrophobicContact CE2-CG2 4.15Å; Y576-T581 WeakPolarHBondContact CE2-OG1 3.39Å |
| 577 | K | 97.1 | Very high | 92 | Very high | 93 Ų | 93 | 43.3 Ų | 43.3 | 40% | 0.404 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -31.3 | -172.5 | -177.9 | 63.4 | -178.4 | 171.5 | 0 | 113.2 | H507 S508 L545 N579 | H507-K577 HydrophobicContact CB-CB 4.25Å; H507-K577 HydrophobicContact CB-CG 4.16Å; H507-K577 VanDerWaalsContact ND1-CG 3.28Å; H507-K577 WeakPolarHBondContact ND1-CG 3.26Å; S508-K577 PolarHBondContact O-N 3.43Å; S508-K577 VanDerWaalsContact O-N 3.15Å; S508-K577 WeakPolarHBondContact OG-CB 3.27Å; S508-K577 PolarHBondContact OG-N 2.81Å; L545-K577 HydrophobicContact CB-CD 4.25Å; L545-K577 HydrophobicContact CB-CG 3.81Å; L545-K577 WeakPolarHBondContact O-CB 3.27Å; K577-N579 PolarHBondContact O-N 3.3Å |
| 578 | T | 95.9 | Very high | 91.9 | Very high | 18 Ų | 18 | 47.2 Ų | 47.2 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -3.7 | 175.4 | 47.1 | 0 | 0 | 0 | 0 | 114.2 | I493 H507 S508 F509 Y576 C580 L602 L605 | I493-T578 HydrophobicContact CD1-CG2 4.49Å; H507-T578 HydrophobicContact CB-CG2 3.74Å; S508-T578 PolarHBondContact O-N 2.94Å; S508-T578 PolarHBondContact O-OG1 2.9Å; S508-T578 VanDerWaalsContact O-OG1 3.12Å; F509-T578 HydrophobicContact CB-CG2 4.19Å; F509-T578 HydrophobicContact CD2-CG2 4.27Å; F509-T578 WeakPolarHBondContact CD2-OG1 3.45Å; Y576-T578 VanDerWaalsContact C-N 3.28Å; Y576-T578 PolarHBondContact O-N 3.27Å; T578-C580 PolarHBondContact O-N 3.2Å; T578-C580 PolarHBondContact O-SG 2.91Å; T578-C580 PolarHBondContact OG1-O 3.33Å; T578-C580 VanDerWaalsContact OG1-O 3.06Å; T578-L602 HydrophobicContact CG2-CD2 3.85Å; T578-L605 HydrophobicContact CG2-CD2 4.1Å |
| 579 | N | 94.1 | Very high | 92.2 | Very high | 117 Ų | 117 | 51.2 Ų | 51.2 | 63% | 0.626 | 26% | 0.255 | S | S | * | . | S | Bend | trans | 58.3 | 13.7 | -175.7 | -59.1 | -49.5 | 0 | 0 | 0 | 114.8 | S573 Y576 K577 | S573-N579 PolarHBondContact N-O 3.46Å; S573-N579 CarbonylContact O-C 3.59Å; S573-N579 WeakPolarHBondContact O-CA 3.23Å; Y576-N579 PolarHBondContact O-N 2.95Å; Y576-N579 VanDerWaalsContact O-N 3.12Å; K577-N579 PolarHBondContact O-N 3.3Å |
| 580 | C | 94.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 170.5 | 174 | 61.4 | 0 | 0 | 0 | 0 | 110 | I570 V571 S573 T578 | I570-C580 HydrophobicContact CG2-CB 3.97Å; V571-C580 CarbonylContact O-C 3.56Å; V571-C580 WeakPolarHBondContact O-CA 3.48Å; V571-C580 WeakPolarHBondContact O-CB 3.45Å; S573-C580 PolarHBondContact O-N 3.15Å; T578-C580 PolarHBondContact O-N 3.2Å; T578-C580 PolarHBondContact O-SG 2.91Å; T578-C580 PolarHBondContact OG1-O 3.33Å; T578-C580 VanDerWaalsContact OG1-O 3.06Å |
| 581 | T | 95.6 | Very high | 92.7 | Very high | 18 Ų | 18 | 53.3 Ų | 53.3 | 11% | 0.11 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 175.9 | 178.1 | -158 | 0 | 0 | 0 | 0 | 111.3 | F509 C510 I570 V571 Y576 | F509-T581 WeakPolarHBondContact O-CA 3.49Å; F509-T581 WeakPolarHBondContact O-CB 3.38Å; F509-T581 PolarHBondContact O-OG1 2.88Å; C510-T581 WeakPolarHBondContact CB-OG1 3.37Å; I570-T581 CarbonylContact C-O 3.53Å; I570-T581 WeakPolarHBondContact CA-O 3.33Å; V571-T581 HydrophobicContact CG2-CG2 3.87Å; V571-T581 PolarHBondContact N-O 3.27Å; V571-T581 PolarHBondContact O-N 3.33Å; Y576-T581 HydrophobicContact CD2-CG2 4.33Å; Y576-T581 WeakPolarHBondContact CD2-OG1 3.48Å; Y576-T581 HydrophobicContact CE2-CG2 4.15Å; Y576-T581 WeakPolarHBondContact CE2-OG1 3.39Å |
| 582 | L | 93.6 | Very high | 92.7 | Very high | 10 Ų | 10 | 58.8 Ų | 58.8 | 5% | 0.052 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 136.6 | 177.2 | -64.8 | -178.6 | 0 | 0 | 0 | 111.7 | L468 L470 F509 C510 V565 A567 I570 P585 L616 | L468-L582 HydrophobicContact CD1-CD1 4.47Å; L468-L582 HydrophobicContact CD1-CD2 4.3Å; L468-L582 HydrophobicContact CD2-CD2 4.21Å; L470-L582 HydrophobicContact CD1-CD1 4.04Å; F509-L582 HydrophobicContact CD1-CD1 4.48Å; F509-L582 HydrophobicContact CD1-CG 4.33Å; F509-L582 HydrophobicContact CE1-CD1 3.77Å; F509-L582 HydrophobicContact CE1-CD2 3.68Å; F509-L582 HydrophobicContact CE1-CG 3.45Å; F509-L582 VanDerWaalsContact CE1-CG 3.45Å; F509-L582 HydrophobicContact CZ-CD1 4.37Å; F509-L582 HydrophobicContact CZ-CD2 3.46Å; F509-L582 VanDerWaalsContact CZ-CD2 3.46Å; F509-L582 HydrophobicContact CZ-CG 3.57Å; C510-L582 HydrophobicContact CB-CB 4.3Å; C510-L582 HydrophobicContact CB-CG 4.42Å; V565-L582 HydrophobicContact CG1-CD1 3.62Å; A567-L582 HydrophobicContact CB-CB 3.76Å; A567-L582 HydrophobicContact CB-CD1 3.91Å; A567-L582 HydrophobicContact CB-CD2 3.87Å; A567-L582 HydrophobicContact CB-CG 4.06Å; I570-L582 HydrophobicContact CG1-CD2 3.81Å; L582-P585 HydrophobicContact CB-CB 3.79Å; L582-P585 HydrophobicContact CB-CG 4.07Å; L582-P585 HydrophobicContact CD1-CB 4.02Å; L582-P585 WeakPolarHBondContact O-CD 3.27Å; L582-L616 HydrophobicContact CD2-CD1 4.14Å |
| 583 | R | 89.7 | Confident | 93 | Very high | 31 Ų | 31 | 61.5 Ų | 61.5 | 12% | 0.117 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 128.6 | 168.5 | -165.9 | -179.9 | 176.6 | -161.7 | -8 | 110.7 | D281 A568 E569 V571 | D281-R583 IonicContact OD1-CZ 3.8Å; D281-R583 IonicContact OD1-NH1 3.54Å; D281-R583 IonicContact OD1-NH2 2.85Å; D281-R583 PolarHBondContact OD1-NH2 3.43Å; D281-R583 IonicContact OD2-CZ 2.69Å; D281-R583 IonicContact OD2-NH1 3.84Å; D281-R583 PolarHBondContact OD2-NH1 2.96Å; D281-R583 IonicContact OD2-NH2 2.67Å; D281-R583 PolarHBondContact OD2-NH2 3.31Å; D281-R583 VanDerWaalsContact OD2-NH2 3.16Å; A568-R583 PolarHBondContact N-O 3.08Å; E569-R583 HydrophobicContact CG-CB 3.64Å; E569-R583 HydrophobicContact CG-CG 4.4Å; E569-R583 PolarHBondContact O-N 3.23Å; E569-R583 WeakPolarHBondContact OE1-CD 3.48Å; E569-R583 IonicContact OE1-CZ 3.5Å; E569-R583 IonicContact OE1-NE 2.62Å; E569-R583 IonicContact OE1-NH1 3.54Å; E569-R583 PolarHBondContact OE1-NH1 2.99Å; V571-R583 HydrophobicContact CG1-CB 4.33Å |
| 584 | F | 88.1 | Confident | 93.3 | Very high | 112 Ų | 112 | 63.2 Ų | 63.2 | 49% | 0.491 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 54.1 | 46.2 | -176.1 | -51.6 | -45.5 | 0 | 0 | 0 | 115.5 | A568 | A568-F584 HydrophobicContact CB-CD2 4.25Š|
| 585 | P | 92.4 | Very high | 93.6 | Very high | 22 Ų | 22 | 62.6 Ų | 62.6 | 14% | 0.143 | 29% | 0.29 | C | S | . | . | trans | -69.1 | 141 | -178.4 | 30.4 | -35 | 0 | 0 | 0 | 112.3 | I512 V565 K566 A567 L582 | I512-P585 HydrophobicContact CD1-CB 4.06Å; I512-P585 HydrophobicContact CG1-CB 3.95Å; I512-P585 HydrophobicContact CG1-CG 4.1Å; V565-P585 HydrophobicContact CG1-CB 3.97Å; K566-P585 CarbonylContact O-C 3.59Å; K566-P585 WeakPolarHBondContact O-CA 3.46Å; A567-P585 HydrophobicContact CB-CB 4.33Å; L582-P585 HydrophobicContact CB-CB 3.79Å; L582-P585 HydrophobicContact CB-CG 4.07Å; L582-P585 HydrophobicContact CD1-CB 4.02Å; L582-P585 WeakPolarHBondContact O-CD 3.27Å | ||
| 586 | R | 89.8 | Confident | 93.8 | Very high | 142 Ų | 142 | 61.2 Ų | 61.2 | 54% | 0.536 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 142.7 | 174.7 | -53.6 | -171.2 | 179.5 | -155.1 | -2.1 | 109.8 | V565 K566 E588 | V565-R586 WeakPolarHBondContact CA-O 3.41Å; K566-R586 PolarHBondContact N-O 3.44Å; K566-R586 PolarHBondContact O-N 3.12Å; R586-E588 PolarHBondContact O-N 3.32Å |
| 587 | I | 91.1 | Very high | 93.7 | Very high | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 119.5 | 171 | -67.1 | 160.5 | 0 | 0 | 0 | 107.7 | F489 I512 S514 G515 Y516 I563 | F489-I587 HydrophobicContact CD2-CD1 4.44Å; I512-I587 HydrophobicContact CG2-CD1 4.19Å; I512-I587 HydrophobicContact CG2-CG1 3.94Å; S514-I587 PolarHBondContact O-N 3.17Å; G515-I587 CarbonylContact C-O 3.53Å; G515-I587 WeakPolarHBondContact CA-O 3.47Å; G515-I587 VanDerWaalsContact O-O 3.09Å; Y516-I587 HydrophobicContact CD1-CD1 3.7Å; Y516-I587 HydrophobicContact CE1-CD1 4.01Å; I563-I587 HydrophobicContact CB-CG1 4.31Å; I563-I587 HydrophobicContact CB-CG2 4.31Å; I563-I587 HydrophobicContact CD1-CD1 3.8Å; I563-I587 HydrophobicContact CD1-CG1 3.7Å; I563-I587 HydrophobicContact CG2-CG2 4.33Å |
| 588 | E | 90.6 | Very high | 93.7 | Very high | 83 Ų | 83 | 62.9 Ų | 62.9 | 39% | 0.388 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -38.9 | 171.9 | -66.1 | -66.1 | 127.4 | 0 | 0 | 110.7 | Q564 K566 R586 | Q564-E588 PolarHBondContact O-N 3.36Å; K566-E588 HydrophobicContact CB-CG 3.42Å; K566-E588 VanDerWaalsContact CB-CG 3.42Å; K566-E588 WeakPolarHBondContact CB-OE1 3.42Å; K566-E588 HydrophobicContact CD-CG 4.28Å; K566-E588 HydrophobicContact CG-CG 4.48Å; K566-E588 VanDerWaalsContact NZ-CD 3.3Å; K566-E588 IonicContact NZ-OE1 3.96Å; K566-E588 IonicContact NZ-OE2 2.71Å; K566-E588 PolarHBondContact NZ-OE2 3.2Å; R586-E588 PolarHBondContact O-N 3.32Å |
| 589 | K | 92.9 | Very high | 93.7 | Very high | 104 Ų | 104 | 62.3 Ų | 62.3 | 45% | 0.452 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 145.7 | -176 | -161.8 | -175.5 | 172.1 | -157.4 | 0 | 112.1 | I563 Q564 D593 | I563-K589 WeakPolarHBondContact CA-O 3.38Å; Q564-K589 HydrophobicContact CB-CB 4.1Å; Q564-K589 PolarHBondContact N-O 3.35Å; Q564-K589 PolarHBondContact O-N 3.08Å; K589-D593 IonicContact NZ-OD1 3.35Å |
| 590 | I | 95 | Very high | 93.8 | Very high | 30 Ų | 30 | 57.2 Ų | 57.2 | 15% | 0.154 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 118.2 | 164.6 | -57 | 171.7 | 0 | 0 | 0 | 107.5 | E520 L524 V561 I563 E592 | E520-I590 HydrophobicContact CB-CD1 4.26Å; L524-I590 HydrophobicContact CB-CD1 4.13Å; L524-I590 HydrophobicContact CD1-CD1 4.46Å; L524-I590 HydrophobicContact CD1-CG2 4.45Å; L524-I590 HydrophobicContact CD2-CD1 4.17Å; L524-I590 HydrophobicContact CG-CD1 4.49Å; V561-I590 HydrophobicContact CG1-CG2 3.51Å; I563-I590 HydrophobicContact CG2-CG1 4.44Å; I590-E592 HydrophobicContact CG2-CG 4.24Å; I590-E592 PolarHBondContact O-N 3.18Å; I590-E592 VanDerWaalsContact O-N 3.12Å |
| 591 | R | 95.8 | Very high | 93.9 | Very high | 31 Ų | 31 | 58.6 Ų | 58.6 | 12% | 0.117 | 27% | 0.27 | C | S | . | . | trans | -88.6 | 73.5 | -171.7 | -65.8 | -63.5 | -61.1 | -84.5 | 6.5 | 111.5 | D469 I562 Q564 D593 K594 | D469-R591 IonicContact OD1-CZ 3.7Å; D469-R591 IonicContact OD1-NH1 3.04Å; D469-R591 PolarHBondContact OD1-NH1 3.43Å; D469-R591 IonicContact OD2-CZ 3.97Å; D469-R591 IonicContact OD2-NH1 2.84Å; D469-R591 PolarHBondContact OD2-NH1 2.88Å; I562-R591 HydrophobicContact CB-CB 4.13Å; I562-R591 HydrophobicContact CG2-CB 3.91Å; I562-R591 HydrophobicContact CG2-CG 4.1Å; I562-R591 WeakPolarHBondContact O-CB 3.38Å; I562-R591 PolarHBondContact O-N 3.34Å; Q564-R591 HydrophobicContact CB-CG 3.85Å; R591-D593 IonicContact CZ-OD1 3.75Å; R591-D593 IonicContact CZ-OD2 3.67Å; R591-D593 VanDerWaalsContact CZ-OD2 3.31Å; R591-D593 IonicContact NE-OD1 3.16Å; R591-D593 PolarHBondContact NE-OD1 3.41Å; R591-D593 IonicContact NE-OD2 2.67Å; R591-D593 PolarHBondContact NE-OD2 3.01Å; R591-D593 VanDerWaalsContact NE-OD2 3.08Å; R591-D593 IonicContact NH2-OD2 2.69Å; R591-D593 PolarHBondContact NH2-OD2 2.89Å; R591-D593 PolarHBondContact O-N 3.03Å; R591-K594 HydrophobicContact CB-CB 4.16Å; R591-K594 HydrophobicContact CB-CG 4.4Å; R591-K594 VanDerWaalsContact NH2-CE 3.29Å; R591-K594 PolarHBondContact O-N 2.97Å; R591-K594 VanDerWaalsContact O-N 3.11Å | ||
| 592 | E | 91.6 | Very high | 94 | Very high | 141 Ų | 141 | 59.9 Ų | 59.9 | 66% | 0.659 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -15.3 | 174.2 | -53.3 | -156.6 | 129.1 | 0 | 0 | 113.1 | K527 I590 K594 | K527-E592 IonicContact NZ-OE1 3.46Å; K527-E592 PolarHBondContact NZ-OE1 2.98Å; I590-E592 HydrophobicContact CG2-CG 4.24Å; I590-E592 PolarHBondContact O-N 3.18Å; I590-E592 VanDerWaalsContact O-N 3.12Å; E592-K594 VanDerWaalsContact C-N 3.27Å |
| 593 | D | 95.4 | Very high | 93.9 | Very high | 96 Ų | 96 | 62 Ų | 62 | 51% | 0.513 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -4.5 | 173 | 60.7 | -70.5 | 0 | 0 | 0 | 113.8 | K589 R591 | K589-D593 IonicContact NZ-OD1 3.35Å; R591-D593 IonicContact CZ-OD1 3.75Å; R591-D593 IonicContact CZ-OD2 3.67Å; R591-D593 VanDerWaalsContact CZ-OD2 3.31Å; R591-D593 IonicContact NE-OD1 3.16Å; R591-D593 PolarHBondContact NE-OD1 3.41Å; R591-D593 IonicContact NE-OD2 2.67Å; R591-D593 PolarHBondContact NE-OD2 3.01Å; R591-D593 VanDerWaalsContact NE-OD2 3.08Å; R591-D593 IonicContact NH2-OD2 2.69Å; R591-D593 PolarHBondContact NH2-OD2 2.89Å; R591-D593 PolarHBondContact O-N 3.03Å |
| 594 | K | 96.6 | Very high | 94.1 | Very high | 56 Ų | 56 | 64.4 Ų | 64.4 | 24% | 0.243 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -121.4 | 136.9 | 179.1 | -70.9 | -168.2 | 157.8 | -166.4 | 0 | 112.1 | D469 I562 R591 E592 Q598 | D469-K594 WeakPolarHBondContact OD2-CE 3.4Å; D469-K594 IonicContact OD2-NZ 2.73Å; D469-K594 PolarHBondContact OD2-NZ 3.27Å; I562-K594 HydrophobicContact CB-CB 4.48Å; I562-K594 HydrophobicContact CD1-CB 4Å; I562-K594 HydrophobicContact CG2-CD 4.48Å; R591-K594 HydrophobicContact CB-CB 4.16Å; R591-K594 HydrophobicContact CB-CG 4.4Å; R591-K594 VanDerWaalsContact NH2-CE 3.29Å; R591-K594 PolarHBondContact O-N 2.97Å; R591-K594 VanDerWaalsContact O-N 3.11Å; E592-K594 VanDerWaalsContact C-N 3.27Å; K594-Q598 VanDerWaalsContact CA-OE1 3.31Å |
| 595 | E | 96.9 | Very high | 94.5 | Very high | 111 Ų | 111 | 59.2 Ų | 59.2 | 52% | 0.519 | 29% | 0.285 | S | S | . | . | trans | -78.6 | 150.7 | 170.5 | -68.8 | -59.3 | 140.3 | 0 | 0 | 111.2 | I562 H597 Q598 | I562-E595 WeakPolarHBondContact CD1-O 3.37Å; E595-H597 PolarHBondContact O-N 2.85Å; E595-Q598 HydrophobicContact CB-CG 4.41Å; E595-Q598 WeakPolarHBondContact O-CB 3.3Å; E595-Q598 PolarHBondContact O-N 3.39Å | ||
| 596 | W | 96.9 | Very high | 94.5 | Very high | 38 Ų | 38 | 62.6 Ų | 62.6 | 14% | 0.144 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -53 | -32.5 | -175.4 | 67.4 | -90.4 | 0 | 0 | 0 | 114.6 | L471 K502 P503 F506 P557 C558 Q598 C599 | L471-W596 HydrophobicContact CD1-CB 3.79Å; L471-W596 HydrophobicContact CD2-CB 4.49Å; K502-W596 HydrophobicContact CB-CH2 3.75Å; K502-W596 HydrophobicContact CB-CZ2 4.05Å; K502-W596 HydrophobicContact CD-CH2 4.29Å; K502-W596 HydrophobicContact CD-CZ2 3.69Å; K502-W596 HydrophobicContact CG-CZ2 4.45Å; P503-W596 WeakPolarHBondContact O-CH2 3.35Å; P503-W596 WeakPolarHBondContact O-CZ3 3.32Å; F506-W596 HydrophobicContact CE2-CE3 4.26Å; F506-W596 AromaticContact CE2-CZ3 3.9Å; F506-W596 HydrophobicContact CE2-CZ3 3.9Å; F506-W596 AromaticContact CZ-CE3 3.82Å; F506-W596 HydrophobicContact CZ-CE3 3.82Å; F506-W596 AromaticContact CZ-CZ3 3.78Å; F506-W596 HydrophobicContact CZ-CZ3 3.78Å; P557-W596 HydrophobicContact CB-CE3 3.88Å; P557-W596 HydrophobicContact CB-CZ3 4.07Å; P557-W596 VanDerWaalsContact O-CB 3.23Å; P557-W596 WeakPolarHBondContact O-CB 3.4Å; C558-W596 HydrophobicContact CB-CD2 4.35Å; C558-W596 HydrophobicContact CB-CZ2 3.97Å; W596-Q598 PolarHBondContact O-N 2.91Å; W596-C599 WeakPolarHBondContact O-CB 3.46Å; W596-C599 PolarHBondContact O-N 3.46Å |
| 597 | H | 95.4 | Very high | 94.5 | Very high | 61 Ų | 61 | 61.9 Ų | 61.9 | 28% | 0.282 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -80.2 | -3 | -179.5 | 59.2 | 78 | 0 | 0 | 0 | 113.5 | K502 P503 E595 C599 | K502-H597 HydrophobicContact CB-CB 4.09Å; K502-H597 HydrophobicContact CD-CB 4.25Å; K502-H597 HydrophobicContact CG-CB 4.07Å; P503-H597 HydrophobicContact CG-CB 4.46Å; E595-H597 PolarHBondContact O-N 2.85Å; H597-C599 VanDerWaalsContact C-N 3.27Å |
| 598 | Q | 95.6 | Very high | 94.5 | Very high | 94 Ų | 94 | 64 Ų | 64 | 44% | 0.439 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -93 | 15.6 | 170.2 | -56.4 | 179 | -70 | 0 | 0 | 112.2 | I562 K594 E595 W596 | I562-Q598 HydrophobicContact CD1-CB 4.29Å; K594-Q598 VanDerWaalsContact CA-OE1 3.31Å; E595-Q598 HydrophobicContact CB-CG 4.41Å; E595-Q598 WeakPolarHBondContact O-CB 3.3Å; E595-Q598 PolarHBondContact O-N 3.39Å; W596-Q598 PolarHBondContact O-N 2.91Å |
| 599 | C | 96.7 | Very high | 94.4 | Very high | 6 Ų | 6 | 65.3 Ų | 65.3 | 4% | 0.041 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 145.1 | 171.1 | 178.3 | 0 | 0 | 0 | 0 | 109.7 | L471 G492 A494 F506 I562 W596 H597 | L471-C599 HydrophobicContact CB-CB 4.08Å; G492-C599 PolarHBondContact O-SG 3.18Å; A494-C599 HydrophobicContact CB-CB 4.4Å; F506-C599 HydrophobicContact CE1-CB 3.93Å; I562-C599 HydrophobicContact CD1-CB 4.21Å; I562-C599 VanDerWaalsContact CD1-N 3.32Å; W596-C599 WeakPolarHBondContact O-CB 3.46Å; W596-C599 PolarHBondContact O-N 3.46Å; H597-C599 VanDerWaalsContact C-N 3.27Å |
| 600 | M | 96.2 | Very high | 94.1 | Very high | 10 Ų | 10 | 64.7 Ų | 64.7 | 5% | 0.049 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 153.4 | 173.4 | 75.6 | 174.3 | -69 | 0 | 0 | 111.6 | L468 D469 L470 I493 A494 E604 L605 F608 | L468-M600 HydrophobicContact CB-SD 3.87Å; L468-M600 HydrophobicContact CD2-CE 4.14Å; L468-M600 HydrophobicContact CD2-SD 3.83Å; L468-M600 HydrophobicContact CG-SD 4.29Å; D469-M600 WeakPolarHBondContact O-CB 3.3Å; D469-M600 WeakPolarHBondContact O-CG 3.17Å; D469-M600 PolarHBondContact O-N 3.37Å; L470-M600 HydrophobicContact CD2-CG 3.81Å; L470-M600 HydrophobicContact CD2-SD 3.34Å; L470-M600 WeakPolarHBondContact CD2-SD 3.39Å; I493-M600 HydrophobicContact CD1-CE 4.27Å; I493-M600 HydrophobicContact CD1-CG 4.4Å; I493-M600 HydrophobicContact CD1-SD 4.11Å; I493-M600 HydrophobicContact CG1-CG 3.98Å; I493-M600 HydrophobicContact CG1-SD 4.25Å; I493-M600 HydrophobicContact CG2-CG 4.33Å; I493-M600 WeakPolarHBondContact CG2-O 3.42Å; A494-M600 PolarHBondContact N-O 3.5Å; M600-E604 WeakPolarHBondContact CA-OE2 3.44Å; M600-E604 HydrophobicContact CE-CB 4.23Å; M600-L605 HydrophobicContact CE-CB 3.8Å; M600-L605 HydrophobicContact CE-CD1 4.45Å; M600-F608 HydrophobicContact CE-CD2 4.01Å; M600-F608 HydrophobicContact CE-CE2 4.29Å |
| 601 | T | 97 | Very high | 93.7 | Very high | 30 Ų | 30 | 68.5 Ų | 68.5 | 18% | 0.184 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -103.6 | 164.4 | -176.5 | 64.1 | 0 | 0 | 0 | 0 | 112.5 | A494 A603 E604 L605 | A494-T601 VanDerWaalsContact O-CA 3.29Å; A494-T601 WeakPolarHBondContact O-CA 3.39Å; T601-A603 PolarHBondContact O-N 3.28Å; T601-E604 PolarHBondContact N-OE2 3.13Å; T601-E604 PolarHBondContact O-N 2.99Å; T601-E604 WeakPolarHBondContact OG1-CG 3.29Å; T601-E604 PolarHBondContact OG1-N 3.17Å; T601-E604 PolarHBondContact OG1-OE2 3.2Å; T601-E604 VanDerWaalsContact OG1-OE2 3.12Å; T601-L605 PolarHBondContact O-N 3.46Å |
| 602 | L | 95.9 | Very high | 92.9 | Very high | 44 Ų | 44 | 67.1 Ų | 67.1 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59 | -35.7 | 174 | -68.8 | 173.1 | 0 | 0 | 0 | 112.7 | I493 A494 E495 H507 T578 L605 D606 | I493-L602 HydrophobicContact CB-CD2 4.46Å; I493-L602 HydrophobicContact CG2-CD2 3.88Å; I493-L602 HydrophobicContact CG2-CG 4.11Å; A494-L602 PolarHBondContact O-N 3.13Å; A494-L602 VanDerWaalsContact O-N 3.08Å; E495-L602 HydrophobicContact CG-CD1 4.08Å; H507-L602 HydrophobicContact CB-CD2 4.27Å; T578-L602 HydrophobicContact CG2-CD2 3.85Å; L602-L605 HydrophobicContact CD2-CD2 4.49Å; L602-L605 WeakPolarHBondContact O-CB 3.36Å; L602-L605 PolarHBondContact O-N 2.85Å; L602-D606 PolarHBondContact O-N 3.11Å |
| 603 | A | 93.4 | Very high | 92.5 | Very high | 56 Ų | 56 | 65.8 Ų | 65.8 | 46% | 0.463 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | T601 L605 D606 Q607 | T601-A603 PolarHBondContact O-N 3.28Å; A603-L605 VanDerWaalsContact C-N 3.35Å; A603-D606 PolarHBondContact O-N 3.33Å; A603-Q607 WeakPolarHBondContact O-CG 3.36Å; A603-Q607 PolarHBondContact O-N 2.83Å; A603-Q607 VanDerWaalsContact O-N 3.11Å |
| 604 | E | 93.9 | Very high | 91.8 | Very high | 80 Ų | 80 | 61.3 Ų | 61.3 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.8 | -37.2 | 174.9 | -69.2 | 167 | 136.5 | 0 | 0 | 111.5 | M600 T601 D606 Q607 F608 | M600-E604 WeakPolarHBondContact CA-OE2 3.44Å; M600-E604 HydrophobicContact CE-CB 4.23Å; T601-E604 PolarHBondContact N-OE2 3.13Å; T601-E604 PolarHBondContact O-N 2.99Å; T601-E604 WeakPolarHBondContact OG1-CG 3.29Å; T601-E604 PolarHBondContact OG1-N 3.17Å; T601-E604 PolarHBondContact OG1-OE2 3.2Å; T601-E604 VanDerWaalsContact OG1-OE2 3.12Å; E604-D606 VanDerWaalsContact C-N 3.33Å; E604-D606 PolarHBondContact O-N 3.3Å; E604-Q607 WeakPolarHBondContact O-CB 3.49Å; E604-Q607 PolarHBondContact O-N 3.3Å; E604-F608 WeakPolarHBondContact O-CD2 3.5Å; E604-F608 PolarHBondContact O-N 2.93Å |
| 605 | L | 94.6 | Very high | 91.3 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.1 | -45.6 | 173.1 | 174.6 | 65.6 | 0 | 0 | 0 | 111.6 | I493 F509 I570 T578 M600 T601 L602 A603 Q607 F608 R609 | I493-L605 HydrophobicContact CD1-CB 4.15Å; I493-L605 HydrophobicContact CD1-CD1 4.1Å; I493-L605 HydrophobicContact CD1-CD2 3.67Å; I493-L605 HydrophobicContact CD1-CG 4.18Å; F509-L605 HydrophobicContact CD2-CD2 4.46Å; F509-L605 HydrophobicContact CE1-CD1 4.3Å; F509-L605 HydrophobicContact CE2-CD1 3.84Å; F509-L605 HydrophobicContact CE2-CD2 4.25Å; F509-L605 HydrophobicContact CZ-CD1 3.6Å; I570-L605 HydrophobicContact CD1-CD1 3.88Å; I570-L605 HydrophobicContact CG2-CD1 4.49Å; T578-L605 HydrophobicContact CG2-CD2 4.1Å; M600-L605 HydrophobicContact CE-CB 3.8Å; M600-L605 HydrophobicContact CE-CD1 4.45Å; T601-L605 PolarHBondContact O-N 3.46Å; L602-L605 HydrophobicContact CD2-CD2 4.49Å; L602-L605 WeakPolarHBondContact O-CB 3.36Å; L602-L605 PolarHBondContact O-N 2.85Å; A603-L605 VanDerWaalsContact C-N 3.35Å; L605-Q607 VanDerWaalsContact C-N 3.3Å; L605-Q607 PolarHBondContact O-N 3.29Å; L605-F608 PolarHBondContact O-N 3.21Å; L605-R609 WeakPolarHBondContact O-CB 3.43Å; L605-R609 PolarHBondContact O-N 3.47Å |
| 606 | D | 92.3 | Very high | 90.8 | Very high | 92 Ų | 92 | 54.6 Ų | 54.6 | 49% | 0.492 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.4 | -34.4 | 178.5 | -73.8 | -29.7 | 0 | 0 | 0 | 112.1 | L602 A603 E604 R609 S610 | L602-D606 PolarHBondContact O-N 3.11Å; A603-D606 PolarHBondContact O-N 3.33Å; E604-D606 VanDerWaalsContact C-N 3.33Å; E604-D606 PolarHBondContact O-N 3.3Å; D606-R609 PolarHBondContact O-N 3.38Å; D606-S610 WeakPolarHBondContact O-CB 3.5Å; D606-S610 PolarHBondContact O-N 2.84Å; D606-S610 PolarHBondContact O-OG 3.35Å |
| 607 | Q | 91.3 | Very high | 90.3 | Very high | 127 Ų | 127 | 53.2 Ų | 53.2 | 59% | 0.593 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -63.1 | -49 | 171.3 | -69.3 | 174.2 | 13.6 | 0 | 0 | 111.6 | A603 E604 L605 R609 S610 K611 | A603-Q607 WeakPolarHBondContact O-CG 3.36Å; A603-Q607 PolarHBondContact O-N 2.83Å; A603-Q607 VanDerWaalsContact O-N 3.11Å; E604-Q607 WeakPolarHBondContact O-CB 3.49Å; E604-Q607 PolarHBondContact O-N 3.3Å; L605-Q607 VanDerWaalsContact C-N 3.3Å; L605-Q607 PolarHBondContact O-N 3.29Å; Q607-R609 VanDerWaalsContact C-N 3.28Å; Q607-R609 PolarHBondContact O-N 3.41Å; Q607-S610 PolarHBondContact O-N 2.88Å; Q607-S610 PolarHBondContact O-OG 3.15Å; Q607-S610 VanDerWaalsContact O-OG 3.12Å; Q607-K611 VanDerWaalsContact O-CB 3.31Å; Q607-K611 WeakPolarHBondContact O-CB 3.24Å; Q607-K611 PolarHBondContact O-N 3.08Å |
| 608 | F | 90.5 | Very high | 89.6 | Confident | 50 Ų | 50 | 51.9 Ų | 51.9 | 22% | 0.219 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.4 | -39.8 | 176.7 | -77.3 | -63.9 | 0 | 0 | 0 | 112.1 | D466 I570 M600 E604 L605 L616 | D466-F608 HydrophobicContact CB-CD1 3.95Å; D466-F608 HydrophobicContact CB-CE1 3.65Å; I570-F608 HydrophobicContact CD1-CB 3.81Å; M600-F608 HydrophobicContact CE-CD2 4.01Å; M600-F608 HydrophobicContact CE-CE2 4.29Å; E604-F608 WeakPolarHBondContact O-CD2 3.5Å; E604-F608 PolarHBondContact O-N 2.93Å; L605-F608 PolarHBondContact O-N 3.21Å; F608-L616 HydrophobicContact CB-CD2 4.35Å; F608-L616 HydrophobicContact CD1-CD2 4.34Å |
| 609 | R | 88.5 | Confident | 89 | Confident | 111 Ų | 111 | 53.4 Ų | 53.4 | 42% | 0.419 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.9 | -40.2 | 179.8 | -171.4 | 178.1 | 175.2 | -166 | -3.3 | 112.5 | I570 L605 D606 Q607 S613 G614 | I570-R609 HydrophobicContact CD1-CB 4.3Å; I570-R609 HydrophobicContact CG2-CG 4.34Å; L605-R609 WeakPolarHBondContact O-CB 3.43Å; L605-R609 PolarHBondContact O-N 3.47Å; D606-R609 PolarHBondContact O-N 3.38Å; Q607-R609 VanDerWaalsContact C-N 3.28Å; Q607-R609 PolarHBondContact O-N 3.41Å; R609-S613 CarbonylContact O-C 3.06Å; R609-G614 PolarHBondContact O-N 3.39Å |
| 610 | S | 87 | Confident | 88.5 | Confident | 90 Ų | 90 | 56.6 Ų | 56.6 | 63% | 0.629 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -78.3 | -33.7 | -177.9 | 53.1 | 0 | 0 | 0 | 0 | 113.3 | D606 Q607 A612 | D606-S610 WeakPolarHBondContact O-CB 3.5Å; D606-S610 PolarHBondContact O-N 2.84Å; D606-S610 PolarHBondContact O-OG 3.35Å; Q607-S610 PolarHBondContact O-N 2.88Å; Q607-S610 PolarHBondContact O-OG 3.15Å; Q607-S610 VanDerWaalsContact O-OG 3.12Å; S610-A612 PolarHBondContact O-N 3.41Å |
| 611 | K | 85.6 | Confident | 88 | Confident | 111 Ų | 111 | 57 Ų | 57 | 48% | 0.483 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -54.5 | -42.7 | -174.2 | -177.7 | -178.2 | 174.8 | -165.1 | 0 | 114.8 | D466 Q607 S618 | D466-K611 IonicContact OD1-NZ 3.49Å; D466-K611 IonicContact OD2-NZ 2.69Å; D466-K611 PolarHBondContact OD2-NZ 3.49Å; Q607-K611 VanDerWaalsContact O-CB 3.31Å; Q607-K611 WeakPolarHBondContact O-CB 3.24Å; Q607-K611 PolarHBondContact O-N 3.08Å; K611-S618 WeakPolarHBondContact CE-OG 3.48Å; K611-S618 PolarHBondContact NZ-OG 2.93Å |
| 612 | A | 80.5 | Confident | 87.4 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.008 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -139.3 | 39.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | S610 G614 K615 | S610-A612 PolarHBondContact O-N 3.41Å; A612-G614 PolarHBondContact O-N 2.88Å; A612-G614 VanDerWaalsContact O-N 3.15Å; A612-K615 HydrophobicContact CB-CB 4.18Å; A612-K615 WeakPolarHBondContact CB-O 3.29Å; A612-K615 WeakPolarHBondContact O-CB 3.5Å; A612-K615 PolarHBondContact O-N 3.39Å |
| 613 | S | 81.6 | Confident | 86.4 | Confident | 114 Ų | 114 | 61.6 Ų | 61.6 | 80% | 0.797 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 39.4 | 178.5 | -52.6 | 0 | 0 | 0 | 0 | 113 | R609 | R609-S613 CarbonylContact O-C 3.06Š|
| 614 | G | 82.1 | Confident | 84.8 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | -18.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | E569 I570 R609 A612 | E569-G614 CarbonylContact C-O 3.51Å; E569-G614 WeakPolarHBondContact CA-O 3.3Å; E569-G614 WeakPolarHBondContact CB-O 3.48Å; I570-G614 PolarHBondContact N-O 2.83Å; R609-G614 PolarHBondContact O-N 3.39Å; A612-G614 PolarHBondContact O-N 2.88Å; A612-G614 VanDerWaalsContact O-N 3.15Å |
| 615 | K | 84.9 | Confident | 82.7 | Confident | 25 Ų | 25 | 64.4 Ų | 64.4 | 11% | 0.109 | 35% | 0.345 | C | S | . | . | B | Isolated β-bridge | trans | -67.2 | 138.8 | 175.7 | -66.3 | -59.1 | -168.2 | -170.9 | 0 | 111 | R431 E569 A612 | R431-K615 HydrophobicContact CB-CG 4.35Å; R431-K615 VanDerWaalsContact O-CE 3.28Å; R431-K615 WeakPolarHBondContact O-CE 3.46Å; E569-K615 HydrophobicContact CB-CD 4.01Å; E569-K615 WeakPolarHBondContact OE2-CD 3.34Å; E569-K615 WeakPolarHBondContact OE2-CE 3.45Å; E569-K615 IonicContact OE2-NZ 2.85Å; E569-K615 PolarHBondContact OE2-NZ 3.12Å; A612-K615 HydrophobicContact CB-CB 4.18Å; A612-K615 WeakPolarHBondContact CB-O 3.29Å; A612-K615 WeakPolarHBondContact O-CB 3.5Å; A612-K615 PolarHBondContact O-N 3.39Å |
| 616 | L | 88.1 | Confident | 80 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -96.4 | -5 | 176.1 | -67.7 | 168 | 0 | 0 | 0 | 112.7 | M465 D466 L468 A567 A568 I570 L582 F608 | M465-L616 HydrophobicContact CE-CB 3.89Å; D466-L616 HydrophobicContact CB-CD2 4.33Å; D466-L616 PolarHBondContact N-O 3.18Å; L468-L616 HydrophobicContact CD1-CD1 3.57Å; L468-L616 HydrophobicContact CD1-CD2 4.06Å; L468-L616 HydrophobicContact CD1-CG 4.46Å; A567-L616 HydrophobicContact CB-CD1 3.75Å; A567-L616 VanDerWaalsContact O-CD1 3.32Å; A567-L616 WeakPolarHBondContact O-CD1 3.13Å; A568-L616 PolarHBondContact O-N 2.86Å; A568-L616 VanDerWaalsContact O-N 3.13Å; I570-L616 HydrophobicContact CD1-CD2 4.09Å; I570-L616 HydrophobicContact CG1-CD1 4.44Å; I570-L616 HydrophobicContact CG1-CD2 4.34Å; I570-L616 HydrophobicContact CG1-CG 4.48Å; L582-L616 HydrophobicContact CD2-CD1 4.14Å; F608-L616 HydrophobicContact CB-CD2 4.35Å; F608-L616 HydrophobicContact CD1-CD2 4.34Å |
| 617 | A | 85.2 | Confident | 77.2 | Confident | 10 Ų | 10 | 71.6 Ų | 71.6 | 8% | 0.083 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -94 | 105.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109 | P458 M465 | P458-A617 HydrophobicContact CB-CB 3.4Å; P458-A617 VanDerWaalsContact CB-CB 3.4Å; P458-A617 HydrophobicContact CG-CB 3.86Å; M465-A617 HydrophobicContact CE-CB 4.29Å; M465-A617 HydrophobicContact SD-CB 3.71Å |
| 618 | S | 80.6 | Confident | 74.8 | Confident | 32 Ų | 32 | 71.1 Ų | 71.1 | 22% | 0.224 | 39% | 0.388 | C | S | . | . | trans | -130.1 | -0.4 | -179.9 | 62.4 | 0 | 0 | 0 | 0 | 113.9 | D466 K611 | D466-S618 PolarHBondContact OD2-OG 2.87Å; K611-S618 WeakPolarHBondContact CE-OG 3.48Å; K611-S618 PolarHBondContact NZ-OG 2.93Å | ||
| 619 | R | 84.3 | Confident | 72.2 | Confident | 126 Ų | 126 | 76.3 Ų | 76.3 | 48% | 0.475 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -108.3 | 144.2 | -177.6 | -58.1 | 178.8 | -165.8 | 171.7 | 3 | 109.9 | L464 D466 | L464-R619 HydrophobicContact CD2-CB 4.48Å; D466-R619 IonicContact OD1-CZ 3.32Å; D466-R619 IonicContact OD1-NE 3.11Å; D466-R619 PolarHBondContact OD1-NE 2.84Å; D466-R619 IonicContact OD1-NH2 3.3Å; D466-R619 PolarHBondContact OD1-NH2 3.2Å |
| 620 | H | 85.8 | Confident | 69.5 | Low | 73 Ų | 73 | 78.8 Ų | 78.8 | 34% | 0.338 | 43% | 0.427 | S | S | . | . | trans | -78.4 | 148 | 171.7 | -72.7 | -176 | 0 | 0 | 0 | 111.4 | N425 D429 | N425-H620 WeakPolarHBondContact OD1-CA 3.39Å; D429-H620 IonicContact OD1-CD2 2.9Å; D429-H620 IonicContact OD1-CE1 3.81Å; D429-H620 IonicContact OD1-NE2 2.8Å; D429-H620 PolarHBondContact OD1-NE2 2.82Å; D429-H620 IonicContact OD2-CE1 3.24Å; D429-H620 PolarHBondContact OD2-CE1 2.8Å; D429-H620 VanDerWaalsContact OD2-CE1 3.24Å; D429-H620 IonicContact OD2-NE2 2.92Å; D429-H620 PolarHBondContact OD2-NE2 2.92Å | ||
| 621 | L | 85.9 | Confident | 67 | Low | 20 Ų | 20 | 82.8 Ų | 82.8 | 11% | 0.105 | 43% | 0.433 | C | S | . | . | trans | -82.2 | 125.6 | 167.7 | -179 | 57.9 | 0 | 0 | 0 | 109.3 | I262 V421 L424 N425 V461 L464 I623 | I262-L621 HydrophobicContact CD1-CD2 3.63Å; V421-L621 HydrophobicContact CG1-CB 4.2Å; V421-L621 HydrophobicContact CG1-CD2 4.33Å; V421-L621 HydrophobicContact CG1-CG 4.12Å; V421-L621 VanDerWaalsContact CG1-O 3.25Å; V421-L621 WeakPolarHBondContact CG1-O 3.48Å; V421-L621 HydrophobicContact CG2-CD2 4.04Å; V421-L621 HydrophobicContact CG2-CG 4.48Å; L424-L621 HydrophobicContact CD2-CD2 4.05Å; N425-L621 PolarHBondContact ND2-O 3.08Å; N425-L621 PolarHBondContact OD1-N 3.22Å; V461-L621 HydrophobicContact CG1-CD1 3.84Å; V461-L621 HydrophobicContact CG1-CD2 4.31Å; L464-L621 HydrophobicContact CD1-CB 4.03Å; L464-L621 HydrophobicContact CD2-CB 4.12Å; L464-L621 HydrophobicContact CD2-CD1 4.42Å; L621-I623 HydrophobicContact CD1-CG1 4.17Å; L621-I623 HydrophobicContact CD2-CD1 4.23Å; L621-I623 HydrophobicContact CD2-CG1 4.38Å; L621-I623 HydrophobicContact CG-CD1 4.48Å; L621-I623 HydrophobicContact CG-CG1 4.08Å | ||
| 622 | H | 82.9 | Confident | 64.3 | Low | 144 Ų | 144 | 86.5 Ų | 86.5 | 67% | 0.667 | 45% | 0.449 | S | S | * | . | trans | -116.7 | 126.8 | 167.8 | -61.1 | -75.7 | 0 | 0 | 0 | 108.3 | ||||
| 623 | I | 75.6 | Confident | 61.9 | Low | 25 Ų | 25 | 98.6 Ų | 98.6 | 13% | 0.128 | 50% | 0.495 | C | S | . | . | trans | -118.1 | 97.4 | 171.6 | -55.7 | -175.5 | 0 | 0 | 0 | 106.3 | I262 M417 V421 L621 G625 | I262-I623 HydrophobicContact CG2-CD1 3.82Å; M417-I623 HydrophobicContact CE-CB 4.15Å; M417-I623 HydrophobicContact CE-CD1 4.33Å; M417-I623 HydrophobicContact CE-CG2 3.63Å; M417-I623 HydrophobicContact CG-CD1 4.43Å; M417-I623 HydrophobicContact SD-CD1 3.91Å; M417-I623 HydrophobicContact SD-CG2 4.15Å; V421-I623 HydrophobicContact CG2-CD1 3.57Å; V421-I623 HydrophobicContact CG2-CG1 3.99Å; L621-I623 HydrophobicContact CD1-CG1 4.17Å; L621-I623 HydrophobicContact CD2-CD1 4.23Å; L621-I623 HydrophobicContact CD2-CG1 4.38Å; L621-I623 HydrophobicContact CG-CD1 4.48Å; L621-I623 HydrophobicContact CG-CG1 4.08Å; I623-G625 PolarHBondContact O-N 3.26Å | ||
| 624 | D | 60.8 | Low | 59.4 | Low | 116 Ų | 116 | 98.8 Ų | 98.8 | 62% | 0.62 | 48% | 0.481 | S | S | * | . | trans | -68.5 | 129.2 | 173.5 | -70.3 | -37.2 | 0 | 0 | 0 | 109.6 | D626 | D624-D626 PolarHBondContact O-N 3.06Š| ||
| 625 | G | 48.1 | Very low | 57 | Low | 79 Ų | 79 | 105.9 Ų | 105.9 | 81% | 0.814 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | 1 | -173 | 0 | 0 | 0 | 0 | 0 | 115.9 | I623 | I623-G625 PolarHBondContact O-N 3.26Š|
| 626 | D | 38.8 | Very low | 54.3 | Low | 152 Ų | 152 | 111 Ų | 111 | 81% | 0.813 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.1 | 29.6 | -176.7 | -140.8 | 8.1 | 0 | 0 | 0 | 114.6 | D624 P628 | D624-D626 PolarHBondContact O-N 3.06Å; D626-P628 WeakPolarHBondContact O-CD 3.47Å |
| 627 | E | 32.7 | Very low | 51.7 | Low | 96 Ų | 96 | 114.1 Ų | 114.1 | 45% | 0.449 | 57% | 0.573 | S | S | . | * | trans | -85.3 | 103.9 | 164.1 | -85.7 | -156.2 | 161.7 | 0 | 0 | 109.7 | Q629 K630 | E627-Q629 PolarHBondContact O-N 3.4Å; E627-Q629 VanDerWaalsContact O-N 3.15Å; E627-K630 IonicContact OE1-NZ 3.5Å; E627-K630 PolarHBondContact OE1-NZ 3.41Å; E627-K630 IonicContact OE2-NZ 3.69Å | ||
| 628 | P | 42.1 | Very low | 49.1 | Very low | 116 Ų | 116 | 122.7 Ų | 122.7 | 75% | 0.753 | 61% | 0.608 | S | S | * | * | trans | -57.9 | 125.5 | 157 | 25.5 | -29.9 | 0 | 0 | 0 | 105.5 | D626 K630 | D626-P628 WeakPolarHBondContact O-CD 3.47Å; P628-K630 PolarHBondContact O-N 2.87Å | ||
| 629 | Q | 35.8 | Very low | 46.6 | Very low | 160 Ų | 160 | 127.1 Ų | 127.1 | 75% | 0.748 | 64% | 0.636 | S | S | * | * | trans | -9.9 | 115.8 | 178.8 | -74.4 | -179.1 | -20.7 | 0 | 0 | 112.3 | E627 K631 | E627-Q629 PolarHBondContact O-N 3.4Å; E627-Q629 VanDerWaalsContact O-N 3.15Å; Q629-K631 PolarHBondContact O-N 2.98Å | ||
| 630 | K | 32 | Very low | 44 | Very low | 162 Ų | 162 | 129.7 Ų | 129.7 | 70% | 0.704 | 65% | 0.651 | S | S | * | * | trans | -56.1 | 87 | 149.5 | -89.4 | 178.6 | 177.3 | 117.4 | 0 | 106.5 | E627 P628 K632 | E627-K630 IonicContact OE1-NZ 3.5Å; E627-K630 PolarHBondContact OE1-NZ 3.41Å; E627-K630 IonicContact OE2-NZ 3.69Å; P628-K630 PolarHBondContact O-N 2.87Å; K630-K632 PolarHBondContact O-N 3.39Å | ||
| 631 | K | 34.6 | Very low | 41.4 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 76% | 0.761 | 67% | 0.668 | S | S | * | * | trans | -52 | 110.6 | 159.4 | -81.1 | 177.8 | 178.7 | 168.8 | 0 | 102.7 | Q629 R633 | Q629-K631 PolarHBondContact O-N 2.98Å; K631-R633 PolarHBondContact O-N 3.28Å | ||
| 632 | K | 28.9 | Very low | 38.6 | Very low | 189 Ų | 189 | 139.4 Ų | 139.4 | 82% | 0.822 | 70% | 0.702 | S | S | * | * | trans | -33.3 | 122.9 | 163.9 | -80 | 179.8 | 172.3 | 177.4 | 0 | 107 | K630 K634 | K630-K632 PolarHBondContact O-N 3.39Å; K632-K634 PolarHBondContact O-N 3.09Å | ||
| 633 | R | 30.3 | Very low | 36.2 | Very low | 255 Ų | 255 | 139.4 Ų | 139.4 | 96% | 0.962 | 71% | 0.712 | S | S | * | * | trans | -54.5 | 97.8 | 172.4 | -153.7 | 173.6 | 175 | -174.3 | -1.9 | 105.6 | K631 L635 | K631-R633 PolarHBondContact O-N 3.28Å; R633-L635 PolarHBondContact O-N 3.1Å; R633-L635 VanDerWaalsContact O-N 3.16Å | ||
| 634 | K | 28.1 | Very low | 34.2 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 51% | 0.513 | 72% | 0.72 | S | S | . | * | trans | -67.2 | 111 | 175.1 | -82.1 | 176.9 | 167 | -170.5 | 0 | 104 | K632 V637 | K632-K634 PolarHBondContact O-N 3.09Å; K634-V637 HydrophobicContact CB-CB 4.08Å; K634-V637 HydrophobicContact CB-CG2 4.26Å; K634-V637 HydrophobicContact CD-CB 3.87Å; K634-V637 HydrophobicContact CD-CG1 4.27Å; K634-V637 HydrophobicContact CG-CB 3.89Å; K634-V637 HydrophobicContact CG-CG2 4.22Å | ||
| 635 | L | 31 | Very low | 32.8 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -38.7 | 136 | 136.5 | -73.7 | 159.8 | 0 | 0 | 0 | 106.4 | R633 V637 | R633-L635 PolarHBondContact O-N 3.1Å; R633-L635 VanDerWaalsContact O-N 3.16Å; L635-V637 VanDerWaalsContact C-N 3.29Å; L635-V637 WeakPolarHBondContact O-CA 3.45Å; L635-V637 WeakPolarHBondContact O-CB 3.48Å; L635-V637 WeakPolarHBondContact O-CG2 3.15Å; L635-V637 PolarHBondContact O-N 3.27Å |
| 636 | P | 29.4 | Very low | 32.3 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 87% | 0.87 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -49.9 | 95.1 | -166.8 | 19 | -30.4 | 0 | 0 | 0 | 111 | ||
| 637 | V | 32.6 | Very low | 32.4 | Very low | 65 Ų | 65 | 136 Ų | 136 | 39% | 0.394 | 68% | 0.684 | S | S | . | * | trans | -106.6 | 106 | -174.4 | 165.4 | 0 | 0 | 0 | 0 | 103.3 | K634 L635 | K634-V637 HydrophobicContact CB-CB 4.08Å; K634-V637 HydrophobicContact CB-CG2 4.26Å; K634-V637 HydrophobicContact CD-CB 3.87Å; K634-V637 HydrophobicContact CD-CG1 4.27Å; K634-V637 HydrophobicContact CG-CB 3.89Å; K634-V637 HydrophobicContact CG-CG2 4.22Å; L635-V637 VanDerWaalsContact C-N 3.29Å; L635-V637 WeakPolarHBondContact O-CA 3.45Å; L635-V637 WeakPolarHBondContact O-CB 3.48Å; L635-V637 WeakPolarHBondContact O-CG2 3.15Å; L635-V637 PolarHBondContact O-N 3.27Å | ||
| 638 | K | 31.3 | Very low | 32.9 | Very low | 189 Ų | 189 | 136.7 Ų | 136.7 | 82% | 0.822 | 69% | 0.687 | S | S | * | * | trans | -33.9 | 140.5 | 164.8 | -69.4 | 179.9 | 176.1 | -178.7 | 0 | 110.6 | K640 | K638-K640 PolarHBondContact O-N 2.6Å; K638-K640 VanDerWaalsContact O-N 3.12Å | ||
| 639 | P | 28 | Very low | 32.9 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 81% | 0.812 | 67% | 0.67 | S | S | * | * | trans | -53.1 | 118.9 | -169.2 | 20 | -31.8 | 0 | 0 | 0 | 112.2 | K641 | P639-K641 PolarHBondContact O-N 3.27Š| ||
| 640 | K | 30.2 | Very low | 33.8 | Very low | 180 Ų | 180 | 132.6 Ų | 132.6 | 78% | 0.783 | 66% | 0.655 | S | S | * | * | trans | -87.2 | 104.6 | 169 | -83.7 | -172.3 | 174.8 | -177.5 | 0 | 108.1 | K638 | K638-K640 PolarHBondContact O-N 2.6Å; K638-K640 VanDerWaalsContact O-N 3.12Å | ||
| 641 | K | 30.4 | Very low | 34.9 | Very low | 160 Ų | 160 | 129.6 Ų | 129.6 | 70% | 0.696 | 65% | 0.652 | S | S | * | * | trans | -54.5 | 147.3 | 171.9 | -71.8 | -178.8 | 170.3 | -172.1 | 0 | 110.8 | P639 V643 D647 | P639-K641 PolarHBondContact O-N 3.27Å; K641-V643 PolarHBondContact O-N 3.17Å; K641-D647 IonicContact NZ-OD2 3.79Å; K641-D647 PolarHBondContact NZ-OD2 2.71Å; K641-D647 VanDerWaalsContact NZ-OD2 3.13Å | ||
| 642 | V | 26.6 | Very low | 36.5 | Very low | 137 Ų | 137 | 125.2 Ų | 125.2 | 83% | 0.83 | 64% | 0.635 | S | S | * | * | trans | -38.7 | 128.1 | 154.6 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | G644 | V642-G644 PolarHBondContact O-N 2.95Š| ||
| 643 | V | 33.6 | Very low | 38.4 | Very low | 144 Ų | 144 | 121.9 Ų | 121.9 | 87% | 0.873 | 63% | 0.626 | S | S | * | * | trans | -74.9 | 68 | 165.4 | -172.5 | 0 | 0 | 0 | 0 | 106.8 | K641 | K641-V643 PolarHBondContact O-N 3.17Š| ||
| 644 | G | 32.1 | Very low | 40.5 | Very low | 28 Ų | 28 | 112 Ų | 112 | 29% | 0.289 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -62.2 | 155.8 | 142.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | V642 I646 | V642-G644 PolarHBondContact O-N 2.95Å; G644-I646 PolarHBondContact O-N 3.36Å |
| 645 | V | 31.3 | Very low | 42.3 | Very low | 86 Ų | 86 | 111.4 Ų | 111.4 | 52% | 0.521 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -38.1 | 116.3 | 159.7 | 177.7 | 0 | 0 | 0 | 0 | 106.9 | D647 F649 K650 | V645-D647 PolarHBondContact O-N 3.31Å; V645-F649 HydrophobicContact CG1-CB 3.32Å; V645-F649 WeakPolarHBondContact CG1-O 3.21Å; V645-K650 HydrophobicContact CB-CG 3.82Å; V645-K650 HydrophobicContact CG1-CG 3.79Å; V645-K650 WeakPolarHBondContact O-CE 3.28Å |
| 646 | I | 38.7 | Very low | 43.8 | Very low | 95 Ų | 95 | 108 Ų | 108 | 49% | 0.487 | 60% | 0.603 | S | S | . | * | trans | -45.3 | 135 | -179.4 | -67.4 | 164.8 | 0 | 0 | 0 | 106.5 | G644 H648 F649 | G644-I646 PolarHBondContact O-N 3.36Å; I646-H648 HydrophobicContact CG2-CB 4.4Å; I646-H648 WeakPolarHBondContact CG2-CD2 3.1Å; I646-H648 PolarHBondContact O-N 3Å; I646-F649 HydrophobicContact CB-CD2 3.91Å; I646-F649 HydrophobicContact CD1-CD2 4.48Å; I646-F649 HydrophobicContact CD1-CE2 4.35Å; I646-F649 HydrophobicContact CG2-CD2 4.27Å; I646-F649 PolarHBondContact O-N 2.86Å | ||
| 647 | D | 41.6 | Very low | 46.2 | Very low | 92 Ų | 92 | 103.6 Ų | 103.6 | 49% | 0.492 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -48.7 | -29 | -170.5 | -70.7 | -40.9 | 0 | 0 | 0 | 113.2 | K641 V645 F649 K650 | K641-D647 IonicContact NZ-OD2 3.79Å; K641-D647 PolarHBondContact NZ-OD2 2.71Å; K641-D647 VanDerWaalsContact NZ-OD2 3.13Å; V645-D647 PolarHBondContact O-N 3.31Å; D647-F649 VanDerWaalsContact C-N 3.28Å; D647-F649 PolarHBondContact O-N 2.78Å; D647-K650 PolarHBondContact O-N 3.17Å |
| 648 | H | 43.3 | Very low | 48.1 | Very low | 110 Ų | 110 | 104.6 Ų | 104.6 | 51% | 0.509 | 58% | 0.584 | S | S | . | * | G | 310 helix | trans | -74.3 | -6.2 | 177.1 | -26.8 | -48 | 0 | 0 | 0 | 115.7 | I646 K680 | I646-H648 HydrophobicContact CG2-CB 4.4Å; I646-H648 WeakPolarHBondContact CG2-CD2 3.1Å; I646-H648 PolarHBondContact O-N 3Å; H648-K680 PolarHBondContact O-NZ 2.79Å |
| 649 | F | 41.8 | Very low | 50.4 | Low | 91 Ų | 91 | 100.5 Ų | 100.5 | 40% | 0.399 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -115.5 | -3.8 | 178.4 | -74.7 | -92.4 | 0 | 0 | 0 | 112.4 | V645 I646 D647 R713 | V645-F649 HydrophobicContact CG1-CB 3.32Å; V645-F649 WeakPolarHBondContact CG1-O 3.21Å; I646-F649 HydrophobicContact CB-CD2 3.91Å; I646-F649 HydrophobicContact CD1-CD2 4.48Å; I646-F649 HydrophobicContact CD1-CE2 4.35Å; I646-F649 HydrophobicContact CG2-CD2 4.27Å; I646-F649 PolarHBondContact O-N 2.86Å; D647-F649 VanDerWaalsContact C-N 3.28Å; D647-F649 PolarHBondContact O-N 2.78Å; F649-R713 VanDerWaalsContact CE1-NH1 3.31Å |
| 650 | K | 53.5 | Low | 53.1 | Low | 99 Ų | 99 | 99.5 Ų | 99.5 | 43% | 0.43 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -82.6 | 129.8 | 170.4 | -75.4 | -177.4 | -179.8 | 171.9 | 0 | 107.9 | V645 D647 Q652 | V645-K650 HydrophobicContact CB-CG 3.82Å; V645-K650 HydrophobicContact CG1-CG 3.79Å; V645-K650 WeakPolarHBondContact O-CE 3.28Å; D647-K650 PolarHBondContact O-N 3.17Å; K650-Q652 PolarHBondContact O-N 3.21Å |
| 651 | P | 56.7 | Low | 55.6 | Low | 100 Ų | 100 | 92.8 Ų | 92.8 | 65% | 0.649 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -59.7 | 128.9 | 167.6 | 23.1 | -27.3 | 0 | 0 | 0 | 108.4 | Q696 | P651-Q696 HydrophobicContact CB-CG 4.25Š|
| 652 | Q | 67.7 | Low | 58.2 | Low | 83 Ų | 83 | 90.1 Ų | 90.1 | 39% | 0.388 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -67 | 138.9 | 172.6 | -169.7 | 61.6 | 35.4 | 0 | 0 | 108.5 | K650 L654 | K650-Q652 PolarHBondContact O-N 3.21Å; Q652-L654 HydrophobicContact CB-CD2 4.42Å; Q652-L654 HydrophobicContact CB-CG 4.49Å; Q652-L654 HydrophobicContact CG-CD2 4.33Å; Q652-L654 PolarHBondContact O-N 3.43Å; Q652-L654 VanDerWaalsContact O-N 3.07Å |
| 653 | D | 68.4 | Low | 61.1 | Low | 118 Ų | 118 | 85.4 Ų | 85.4 | 63% | 0.631 | 49% | 0.487 | S | S | * | . | trans | -70.1 | 106.5 | 171.5 | -173.1 | 3.5 | 0 | 0 | 0 | 108.8 | S655 | D653-S655 VanDerWaalsContact OD1-CB 3.27Å; D653-S655 WeakPolarHBondContact OD1-CB 3.47Å; D653-S655 PolarHBondContact OD1-N 3.2Å; D653-S655 VanDerWaalsContact OD1-N 3.08Å; D653-S655 PolarHBondContact OD1-OG 3.3Å | ||
| 654 | L | 73.4 | Confident | 63.8 | Low | 47 Ų | 47 | 78.7 Ų | 78.7 | 25% | 0.246 | 45% | 0.446 | C | S | . | . | trans | -102.4 | 3.6 | -179.8 | -62.3 | 171.2 | 0 | 0 | 0 | 111.8 | Q652 G656 V657 K685 A688 V694 | Q652-L654 HydrophobicContact CB-CD2 4.42Å; Q652-L654 HydrophobicContact CB-CG 4.49Å; Q652-L654 HydrophobicContact CG-CD2 4.33Å; Q652-L654 PolarHBondContact O-N 3.43Å; Q652-L654 VanDerWaalsContact O-N 3.07Å; L654-G656 PolarHBondContact O-N 3.07Å; L654-G656 VanDerWaalsContact O-N 3.13Å; L654-V657 HydrophobicContact CD2-CG2 4.18Å; L654-V657 PolarHBondContact O-N 2.8Å; L654-V657 VanDerWaalsContact O-N 3.14Å; L654-K685 HydrophobicContact CD2-CG 3.87Å; L654-A688 HydrophobicContact CD1-CB 4.13Å; L654-A688 HydrophobicContact CD2-CB 4.16Å; L654-V694 HydrophobicContact CD1-CB 4.19Å; L654-V694 HydrophobicContact CD1-CG2 4.25Å | ||
| 655 | S | 65.8 | Low | 66.5 | Low | 107 Ų | 107 | 82 Ų | 82 | 75% | 0.748 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -19.8 | -175.7 | 63.1 | 0 | 0 | 0 | 0 | 114.4 | D653 | D653-S655 VanDerWaalsContact OD1-CB 3.27Å; D653-S655 WeakPolarHBondContact OD1-CB 3.47Å; D653-S655 PolarHBondContact OD1-N 3.2Å; D653-S655 VanDerWaalsContact OD1-N 3.08Å; D653-S655 PolarHBondContact OD1-OG 3.3Å |
| 656 | G | 63.8 | Low | 68.8 | Low | 77 Ų | 77 | 84.4 Ų | 84.4 | 79% | 0.794 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 8.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L654 | L654-G656 PolarHBondContact O-N 3.07Å; L654-G656 VanDerWaalsContact O-N 3.13Å |
| 657 | V | 78.8 | Confident | 71.2 | Confident | 42 Ų | 42 | 81.9 Ų | 81.9 | 26% | 0.255 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -90.8 | 117.1 | -179.9 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | L654 K685 A688 R689 | L654-V657 HydrophobicContact CD2-CG2 4.18Å; L654-V657 PolarHBondContact O-N 2.8Å; L654-V657 VanDerWaalsContact O-N 3.14Å; V657-K685 HydrophobicContact CG2-CG 4.26Å; V657-A688 HydrophobicContact CG1-CB 4.25Å; V657-R689 HydrophobicContact CG1-CB 4.37Å; V657-R689 HydrophobicContact CG1-CG 3.45Å; V657-R689 VanDerWaalsContact CG1-CG 3.45Å |
| 658 | S | 72.1 | Confident | 73.6 | Confident | 86 Ų | 86 | 79.9 Ų | 79.9 | 60% | 0.601 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -77.8 | 129.5 | 174.4 | 52.3 | 0 | 0 | 0 | 0 | 111.1 | E660 | S658-E660 PolarHBondContact O-N 2.85Š|
| 659 | K | 81.1 | Confident | 76.1 | Confident | 104 Ų | 104 | 74.6 Ų | 74.6 | 45% | 0.452 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 124.1 | 172.4 | -171.4 | -179 | -179.1 | -172.2 | 0 | 109.3 | T661 D662 E665 R689 | K659-T661 WeakPolarHBondContact CE-O 3.43Å; K659-T661 WeakPolarHBondContact CG-O 3.37Å; K659-D662 VanDerWaalsContact CE-CA 3.5Å; K659-D662 VanDerWaalsContact CE-CB 3.5Å; K659-D662 VanDerWaalsContact NZ-CB 3.34Å; K659-E665 IonicContact NZ-OE1 2.64Å; K659-E665 PolarHBondContact NZ-OE1 3.14Å; K659-E665 IonicContact NZ-OE2 3.86Å; K659-E665 PolarHBondContact NZ-OE2 3.32Å; K659-E665 VanDerWaalsContact NZ-OE2 3.15Å; K659-R689 CarbonylContact C-O 3.54Å |
| 660 | E | 84.1 | Confident | 78.4 | Confident | 104 Ų | 104 | 70.3 Ų | 70.3 | 49% | 0.486 | 40% | 0.397 | S | S | . | . | trans | -103.3 | -34.7 | 177.3 | -70.6 | 179.5 | -155.4 | 0 | 0 | 112 | S658 R689 | S658-E660 PolarHBondContact O-N 2.85Å; E660-R689 PolarHBondContact N-O 3.27Å; E660-R689 IonicContact OE1-CZ 3.02Å; E660-R689 IonicContact OE1-NE 3.43Å; E660-R689 PolarHBondContact OE1-NE 3.47Å; E660-R689 IonicContact OE1-NH2 3.92Å; E660-R689 PolarHBondContact OE1-NH2 3.21Å; E660-R689 IonicContact OE2-CZ 2.77Å; E660-R689 IonicContact OE2-NE 2.63Å; E660-R689 PolarHBondContact OE2-NE 2.94Å; E660-R689 IonicContact OE2-NH2 2.67Å; E660-R689 PolarHBondContact OE2-NH2 3.16Å | ||
| 661 | T | 83 | Confident | 80.3 | Confident | 39 Ų | 39 | 65.6 Ų | 65.6 | 24% | 0.239 | 38% | 0.377 | C | S | . | . | trans | -140.4 | 167.7 | 176.5 | 68.1 | 0 | 0 | 0 | 0 | 110.2 | K659 R689 C690 G691 | K659-T661 WeakPolarHBondContact CE-O 3.43Å; K659-T661 WeakPolarHBondContact CG-O 3.37Å; T661-R689 PolarHBondContact N-O 2.86Å; T661-C690 CarbonylContact O-C 3.52Å; T661-C690 WeakPolarHBondContact O-CA 3.29Å; T661-C690 WeakPolarHBondContact OG1-CA 3.46Å; T661-C690 PolarHBondContact OG1-SG 3.47Å; T661-G691 PolarHBondContact O-N 2.96Å | ||
| 662 | D | 85.2 | Confident | 81.6 | Confident | 104 Ų | 104 | 61.2 Ų | 61.2 | 56% | 0.556 | 35% | 0.348 | S | S | * | . | trans | -114.2 | 12.5 | -179.5 | 57 | -7.6 | 0 | 0 | 0 | 113.6 | K659 F664 E665 C690 | K659-D662 VanDerWaalsContact CE-CA 3.5Å; K659-D662 VanDerWaalsContact CE-CB 3.5Å; K659-D662 VanDerWaalsContact NZ-CB 3.34Å; D662-F664 PolarHBondContact O-N 3.18Å; D662-E665 HydrophobicContact CB-CB 4.33Å; D662-E665 VanDerWaalsContact O-CB 3.29Å; D662-E665 WeakPolarHBondContact O-CB 3.47Å; D662-E665 PolarHBondContact O-N 3.38Å; D662-C690 CarbonylContact C-O 3.53Å | ||
| 663 | M | 86.1 | Confident | 82.5 | Confident | 37 Ų | 37 | 58 Ų | 58 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -19.3 | -175.1 | 74.6 | -163.2 | -156 | 0 | 0 | 114.8 | C690 C734 L735 K738 V740 | M663-C690 HydrophobicContact CE-CB 3.75Å; M663-C690 WeakPolarHBondContact CE-SG 3.49Å; M663-C690 HydrophobicContact CG-CB 3.84Å; M663-C690 PolarHBondContact N-O 2.9Å; M663-C690 HydrophobicContact SD-CB 4.16Å; M663-C734 HydrophobicContact CE-CB 4.44Å; M663-C734 WeakPolarHBondContact CE-O 3.29Å; M663-L735 HydrophobicContact CE-CD2 4.01Å; M663-K738 VanDerWaalsContact SD-C 3.59Å; M663-V740 HydrophobicContact CB-CG2 4.28Å; M663-V740 WeakPolarHBondContact O-CG2 2.98Å |
| 664 | F | 91.2 | Very high | 83.3 | Confident | 3 Ų | 3 | 53.1 Ų | 53.1 | 1% | 0.013 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 19.1 | 175.5 | -65.4 | -40.7 | 0 | 0 | 0 | 113.2 | D662 D666 V667 F669 C690 G691 G692 L731 C734 V740 | D662-F664 PolarHBondContact O-N 3.18Å; F664-D666 PolarHBondContact O-N 3.4Å; F664-V667 WeakPolarHBondContact O-CB 3.36Å; F664-V667 PolarHBondContact O-N 2.94Å; F664-F669 HydrophobicContact CB-CE2 3.96Å; F664-F669 AromaticContact CD1-CE2 3.81Å; F664-F669 HydrophobicContact CD1-CE2 3.81Å; F664-F669 AromaticContact CD1-CZ 3.59Å; F664-F669 HydrophobicContact CD1-CZ 3.59Å; F664-F669 HydrophobicContact CD2-CE2 4.28Å; F664-F669 HydrophobicContact CD2-CZ 4.46Å; F664-F669 HydrophobicContact CE1-CE2 4.35Å; F664-F669 AromaticContact CE1-CZ 3.72Å; F664-F669 HydrophobicContact CE1-CZ 3.72Å; F664-F669 AromaticContact CG-CE2 3.77Å; F664-F669 HydrophobicContact CG-CE2 3.77Å; F664-F669 AromaticContact CG-CZ 4Å; F664-F669 HydrophobicContact CG-CZ 4Å; F664-F669 HydrophobicContact CZ-CZ 4.24Å; F664-C690 HydrophobicContact CB-CB 4.5Å; F664-C690 HydrophobicContact CD2-CB 3.61Å; F664-C690 HydrophobicContact CE2-CB 4.26Å; F664-C690 HydrophobicContact CG-CB 4.38Å; F664-C690 PolarHBondContact N-O 3.35Å; F664-G691 CarbonylContact O-C 3.58Å; F664-G692 WeakPolarHBondContact O-CA 3.13Å; F664-G692 PolarHBondContact O-N 3.38Å; F664-L731 HydrophobicContact CE2-CD1 3.86Å; F664-L731 HydrophobicContact CZ-CD1 4.03Å; F664-C734 HydrophobicContact CZ-CB 3.93Å; F664-V740 HydrophobicContact CD1-CG2 3.93Å; F664-V740 HydrophobicContact CE1-CB 4.46Å; F664-V740 HydrophobicContact CE1-CG1 4.27Å; F664-V740 HydrophobicContact CE1-CG2 3.59Å |
| 665 | E | 88.1 | Confident | 83.9 | Confident | 98 Ų | 98 | 53 Ų | 53 | 46% | 0.458 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 130.7 | -179.5 | -175.1 | 149.7 | -126.9 | 0 | 0 | 112.3 | K659 D662 V667 G691 | K659-E665 IonicContact NZ-OE1 2.64Å; K659-E665 PolarHBondContact NZ-OE1 3.14Å; K659-E665 IonicContact NZ-OE2 3.86Å; K659-E665 PolarHBondContact NZ-OE2 3.32Å; K659-E665 VanDerWaalsContact NZ-OE2 3.15Å; D662-E665 HydrophobicContact CB-CB 4.33Å; D662-E665 VanDerWaalsContact O-CB 3.29Å; D662-E665 WeakPolarHBondContact O-CB 3.47Å; D662-E665 PolarHBondContact O-N 3.38Å; E665-V667 PolarHBondContact O-N 3.28Å; E665-V667 VanDerWaalsContact O-N 3.13Å; E665-G691 WeakPolarHBondContact CA-O 3.44Å |
| 666 | D | 80.8 | Confident | 84.6 | Confident | 137 Ų | 137 | 57.8 Ų | 57.8 | 73% | 0.733 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 13.9 | -176.4 | -60 | -38.9 | 0 | 0 | 0 | 116.1 | F664 | F664-D666 PolarHBondContact O-N 3.4Š|
| 667 | V | 89 | Confident | 85.4 | Confident | 41 Ų | 41 | 56.8 Ų | 56.8 | 25% | 0.248 | 31% | 0.313 | C | S | . | . | trans | -97.5 | 124.7 | 178 | -173 | 0 | 0 | 0 | 0 | 111.3 | F664 E665 F669 I693 Y703 | F664-V667 WeakPolarHBondContact O-CB 3.36Å; F664-V667 PolarHBondContact O-N 2.94Å; E665-V667 PolarHBondContact O-N 3.28Å; E665-V667 VanDerWaalsContact O-N 3.13Å; V667-F669 HydrophobicContact CB-CD2 4.47Å; V667-F669 HydrophobicContact CB-CE2 3.74Å; V667-F669 HydrophobicContact CB-CZ 4.39Å; V667-F669 HydrophobicContact CG1-CD2 4.11Å; V667-F669 HydrophobicContact CG1-CE2 3.38Å; V667-F669 HydrophobicContact CG1-CZ 3.66Å; V667-F669 WeakPolarHBondContact O-CD2 3.38Å; V667-I693 PolarHBondContact O-N 3.03Å; V667-Y703 VanDerWaalsContact CG1-CB 3.43Å; V667-Y703 HydrophobicContact CG1-CD1 3.78Å; V667-Y703 HydrophobicContact CG1-CD2 4.28Å; V667-Y703 HydrophobicContact CG1-CG 3.57Å | ||
| 668 | E | 92.7 | Very high | 85.8 | Confident | 50 Ų | 50 | 57.9 Ų | 57.9 | 23% | 0.234 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 123.7 | 178 | -73.3 | -168.2 | 172.3 | 0 | 0 | 113.2 | I693 V695 Y703 | E668-I693 CarbonylContact C-O 3.29Å; E668-I693 WeakPolarHBondContact CA-O 3.45Å; E668-I693 HydrophobicContact CG-CB 4.06Å; E668-I693 HydrophobicContact CG-CD1 4.41Å; E668-I693 HydrophobicContact CG-CG2 4.08Å; E668-V695 HydrophobicContact CG-CG1 4.39Å; E668-Y703 WeakPolarHBondContact O-CB 3.22Å; E668-Y703 PolarHBondContact O-N 3.28Å |
| 669 | F | 94 | Very high | 86.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 139.4 | 174.9 | -67 | -92.2 | 0 | 0 | 0 | 111.6 | F664 V667 V687 I693 V694 V695 Y703 V706 W730 | F664-F669 HydrophobicContact CB-CE2 3.96Å; F664-F669 AromaticContact CD1-CE2 3.81Å; F664-F669 HydrophobicContact CD1-CE2 3.81Å; F664-F669 AromaticContact CD1-CZ 3.59Å; F664-F669 HydrophobicContact CD1-CZ 3.59Å; F664-F669 HydrophobicContact CD2-CE2 4.28Å; F664-F669 HydrophobicContact CD2-CZ 4.46Å; F664-F669 HydrophobicContact CE1-CE2 4.35Å; F664-F669 AromaticContact CE1-CZ 3.72Å; F664-F669 HydrophobicContact CE1-CZ 3.72Å; F664-F669 AromaticContact CG-CE2 3.77Å; F664-F669 HydrophobicContact CG-CE2 3.77Å; F664-F669 AromaticContact CG-CZ 4Å; F664-F669 HydrophobicContact CG-CZ 4Å; F664-F669 HydrophobicContact CZ-CZ 4.24Å; V667-F669 HydrophobicContact CB-CD2 4.47Å; V667-F669 HydrophobicContact CB-CE2 3.74Å; V667-F669 HydrophobicContact CB-CZ 4.39Å; V667-F669 HydrophobicContact CG1-CD2 4.11Å; V667-F669 HydrophobicContact CG1-CE2 3.38Å; V667-F669 HydrophobicContact CG1-CZ 3.66Å; V667-F669 WeakPolarHBondContact O-CD2 3.38Å; F669-V687 HydrophobicContact CB-CG1 4.21Å; F669-V687 HydrophobicContact CB-CG2 4.46Å; F669-V687 HydrophobicContact CD2-CG1 3.58Å; F669-V687 HydrophobicContact CD2-CG2 4.46Å; F669-V687 HydrophobicContact CE2-CG1 4.26Å; F669-V687 HydrophobicContact CG-CG1 4.11Å; F669-V687 HydrophobicContact CG-CG2 4.35Å; F669-I693 PolarHBondContact N-O 3.31Å; F669-V694 WeakPolarHBondContact O-CA 3.38Å; F669-V695 PolarHBondContact O-N 3.2Å; F669-Y703 HydrophobicContact CD1-CD1 4.49Å; F669-Y703 AromaticContact CE1-CD1 3.73Å; F669-Y703 HydrophobicContact CE1-CD1 3.73Å; F669-Y703 HydrophobicContact CE1-CE1 4.25Å; F669-Y703 AromaticContact CZ-CD1 3.89Å; F669-Y703 HydrophobicContact CZ-CD1 3.89Å; F669-Y703 HydrophobicContact CZ-CE1 4.37Å; F669-V706 HydrophobicContact CD1-CG2 4.28Å; F669-W730 AromaticContact CE1-CH2 3.92Å; F669-W730 HydrophobicContact CE1-CH2 3.92Å; F669-W730 AromaticContact CE1-CZ3 3.94Å; F669-W730 HydrophobicContact CE1-CZ3 3.94Å; F669-W730 HydrophobicContact CZ-CH2 4.48Å |
| 670 | C | 91.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 108.6 | 169.5 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | V695 P698 T702 C704 V705 V706 | C670-V695 WeakPolarHBondContact CA-O 2.9Å; C670-V695 HydrophobicContact CB-CG2 3.84Å; C670-P698 HydrophobicContact CB-CB 4.19Å; C670-T702 HydrophobicContact CB-CG2 3.84Å; C670-C704 PolarHBondContact N-O 2.99Å; C670-V705 HydrophobicContact CB-CG1 4.44Å; C670-V705 HydrophobicContact CB-CG2 4.12Å; C670-V705 CarbonylContact O-C 3.56Å; C670-V705 WeakPolarHBondContact O-CA 3.48Å; C670-V705 WeakPolarHBondContact O-CG1 3.29Å; C670-V706 PolarHBondContact O-N 3.49Å |
| 671 | I | 92.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 114.6 | 178.9 | -58.9 | 161 | 0 | 0 | 0 | 109.6 | K680 L683 E684 V687 V706 L731 | I671-K680 HydrophobicContact CG2-CB 4.43Å; I671-K680 HydrophobicContact CG2-CD 4.4Å; I671-K680 HydrophobicContact CG2-CG 3.86Å; I671-K680 WeakPolarHBondContact O-CD 3.21Å; I671-K680 WeakPolarHBondContact O-CE 3.43Å; I671-K680 PolarHBondContact O-NZ 3.34Å; I671-L683 HydrophobicContact CD1-CB 3.87Å; I671-L683 HydrophobicContact CG2-CB 4.28Å; I671-L683 HydrophobicContact CG2-CD1 4.25Å; I671-E684 HydrophobicContact CB-CG 4.19Å; I671-E684 HydrophobicContact CD1-CB 4.19Å; I671-E684 HydrophobicContact CD1-CG 3.62Å; I671-E684 HydrophobicContact CG1-CG 4.46Å; I671-V687 HydrophobicContact CD1-CG2 4Å; I671-V706 HydrophobicContact CG1-CB 4.11Å; I671-V706 HydrophobicContact CG1-CG2 4.45Å; I671-L731 HydrophobicContact CD1-CD2 4.32Å |
| 672 | L | 85.4 | Confident | 87.1 | Confident | 8 Ų | 8 | 52.8 Ų | 52.8 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -40.5 | -176.9 | -68.2 | -176.9 | 0 | 0 | 0 | 113 | V705 V706 R713 V714 L717 | L672-V705 HydrophobicContact CD1-CG1 3.42Å; L672-V705 VanDerWaalsContact CD1-CG1 3.42Å; L672-V705 HydrophobicContact CD2-CG1 4.3Å; L672-V705 HydrophobicContact CG-CG1 3.46Å; L672-V705 VanDerWaalsContact CG-CG1 3.46Å; L672-V706 PolarHBondContact N-O 3.03Å; L672-R713 HydrophobicContact CD2-CG 4.48Å; L672-V714 HydrophobicContact CB-CG2 4.42Å; L672-V714 HydrophobicContact CD1-CG2 3.78Å; L672-L717 HydrophobicContact CD1-CD2 4.11Å |
| 673 | N | 85.8 | Confident | 87.4 | Confident | 17 Ų | 17 | 47.9 Ų | 47.9 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 160.6 | 178 | 55.4 | 31.9 | 0 | 0 | 0 | 110.4 | A707 G708 V709 N711 | N673-A707 WeakPolarHBondContact OD1-CA 3.18Å; N673-A707 WeakPolarHBondContact OD1-CB 2.96Å; N673-G708 PolarHBondContact O-N 3.42Å; N673-G708 PolarHBondContact OD1-N 3.05Å; N673-V709 HydrophobicContact CB-CG2 4.44Å; N673-V709 VanDerWaalsContact ND2-CG2 3.35Å; N673-V709 WeakPolarHBondContact ND2-CG2 3.23Å; N673-V709 PolarHBondContact ND2-O 3.07Å; N673-V709 PolarHBondContact OD1-N 3.09Å; N673-V709 VanDerWaalsContact OD1-N 3.13Å; N673-N711 PolarHBondContact ND2-ND2 3.31Å |
| 674 | G | 85.5 | Confident | 87.7 | Confident | 15 Ų | 15 | 46.3 Ų | 46.3 | 16% | 0.155 | 26% | 0.257 | C | S | . | . | trans | -96.6 | -179.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | H678 | G674-H678 CarbonylContact C-O 3.57Å; G674-H678 WeakPolarHBondContact CA-O 3.22Å | ||
| 675 | T | 86.9 | Confident | 87.5 | Confident | 44 Ų | 44 | 50.6 Ų | 50.6 | 27% | 0.27 | 28% | 0.276 | S | S | . | . | trans | -89 | 176 | 172.3 | 62.7 | 0 | 0 | 0 | 0 | 110.7 | G677 H678 A728 | T675-G677 PolarHBondContact O-N 3.48Å; T675-H678 PolarHBondContact N-O 2.76Å; T675-H678 PolarHBondContact O-N 3.48Å; T675-H678 PolarHBondContact OG1-N 2.74Å; T675-H678 VanDerWaalsContact OG1-N 3.14Å; T675-A728 HydrophobicContact CG2-CB 3.78Å | ||
| 676 | E | 79 | Confident | 87.6 | Confident | 207 Ų | 207 | 46.2 Ų | 46.2 | 97% | 0.967 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -61.9 | -29.8 | 176.2 | -68.8 | -168.9 | 160.9 | 0 | 0 | 113 | ||
| 677 | G | 81.4 | Confident | 88 | Confident | 57 Ų | 57 | 39.7 Ų | 39.7 | 59% | 0.588 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -93.1 | -25.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | T675 | T675-G677 PolarHBondContact O-N 3.48Š|
| 678 | H | 87.6 | Confident | 88 | Confident | 64 Ų | 64 | 38.7 Ų | 38.7 | 30% | 0.296 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -127.7 | 99.4 | -175.7 | -61.2 | -84.7 | 0 | 0 | 0 | 110.8 | G674 T675 E682 L683 L732 | G674-H678 CarbonylContact C-O 3.57Å; G674-H678 WeakPolarHBondContact CA-O 3.22Å; T675-H678 PolarHBondContact N-O 2.76Å; T675-H678 PolarHBondContact O-N 3.48Å; T675-H678 PolarHBondContact OG1-N 2.74Å; T675-H678 VanDerWaalsContact OG1-N 3.14Å; H678-E682 IonicContact CE1-OE1 2.69Å; H678-E682 IonicContact CG-OE1 3.92Å; H678-E682 IonicContact ND1-OE1 2.67Å; H678-E682 PolarHBondContact ND1-OE1 2.79Å; H678-L683 HydrophobicContact CB-CD2 4.17Å; H678-L683 HydrophobicContact CB-CG 4.5Å; H678-L732 HydrophobicContact CB-CD1 4.25Å; H678-L732 HydrophobicContact CB-CD2 4.18Å; H678-L732 WeakPolarHBondContact CD2-CD1 3.31Å |
| 679 | P | 87.3 | Confident | 87.8 | Confident | 67 Ų | 67 | 41.6 Ų | 41.6 | 44% | 0.435 | 23% | 0.227 | S | C | . | . | trans | -65.1 | 153.5 | 179.7 | 26.7 | -34 | 0 | 0 | 0 | 111.6 | S681 E682 L683 | P679-S681 PolarHBondContact O-N 3.05Å; P679-E682 WeakPolarHBondContact CD-OE2 3.5Å; P679-E682 HydrophobicContact CG-CB 4.12Å; P679-E682 WeakPolarHBondContact O-CB 3.41Å; P679-E682 PolarHBondContact O-N 2.96Å; P679-L683 PolarHBondContact O-N 3.1Å | ||
| 680 | K | 87 | Confident | 87.6 | Confident | 21 Ų | 21 | 42.1 Ų | 42.1 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -46.4 | -42.9 | 179.6 | 167.6 | 171.4 | 169.3 | 169.1 | 0 | 113.2 | H648 I671 E682 L683 E684 | H648-K680 PolarHBondContact O-NZ 2.79Å; I671-K680 HydrophobicContact CG2-CB 4.43Å; I671-K680 HydrophobicContact CG2-CD 4.4Å; I671-K680 HydrophobicContact CG2-CG 3.86Å; I671-K680 WeakPolarHBondContact O-CD 3.21Å; I671-K680 WeakPolarHBondContact O-CE 3.43Å; I671-K680 PolarHBondContact O-NZ 3.34Å; K680-E682 VanDerWaalsContact C-N 3.25Å; K680-E682 PolarHBondContact O-N 3.35Å; K680-L683 PolarHBondContact O-N 3.47Å; K680-E684 WeakPolarHBondContact CE-OE1 3.31Å; K680-E684 HydrophobicContact CG-CG 4.21Å; K680-E684 IonicContact NZ-OE1 3.99Å; K680-E684 PolarHBondContact NZ-OE1 2.87Å; K680-E684 WeakPolarHBondContact O-CG 3.47Å; K680-E684 PolarHBondContact O-N 3.29Å |
| 681 | S | 84.9 | Confident | 87.2 | Confident | 48 Ų | 48 | 43.1 Ų | 43.1 | 34% | 0.336 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.8 | -27.9 | -179.4 | 54.1 | 0 | 0 | 0 | 0 | 114 | P679 K685 | P679-S681 PolarHBondContact O-N 3.05Å; S681-K685 VanDerWaalsContact O-CG 3.3Å; S681-K685 WeakPolarHBondContact O-CG 3.38Å; S681-K685 PolarHBondContact O-N 2.81Å |
| 682 | E | 88.3 | Confident | 87 | Confident | 91 Ų | 91 | 43.6 Ų | 43.6 | 43% | 0.425 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -75.1 | -43.4 | 176 | -171.7 | -176.8 | 140.2 | 0 | 0 | 110.6 | H678 P679 K680 E684 K685 G686 | H678-E682 IonicContact CE1-OE1 2.69Å; H678-E682 IonicContact CG-OE1 3.92Å; H678-E682 IonicContact ND1-OE1 2.67Å; H678-E682 PolarHBondContact ND1-OE1 2.79Å; P679-E682 WeakPolarHBondContact CD-OE2 3.5Å; P679-E682 HydrophobicContact CG-CB 4.12Å; P679-E682 WeakPolarHBondContact O-CB 3.41Å; P679-E682 PolarHBondContact O-N 2.96Å; K680-E682 VanDerWaalsContact C-N 3.25Å; K680-E682 PolarHBondContact O-N 3.35Å; E682-E684 PolarHBondContact O-N 3.48Å; E682-K685 PolarHBondContact O-N 3.05Å; E682-G686 PolarHBondContact O-N 3.04Å |
| 683 | L | 90.9 | Very high | 87.2 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62 | -41.9 | 175.1 | -59.9 | 177.1 | 0 | 0 | 0 | 111.7 | I671 H678 P679 K680 K685 G686 V687 A728 L731 L732 | I671-L683 HydrophobicContact CD1-CB 3.87Å; I671-L683 HydrophobicContact CG2-CB 4.28Å; I671-L683 HydrophobicContact CG2-CD1 4.25Å; H678-L683 HydrophobicContact CB-CD2 4.17Å; H678-L683 HydrophobicContact CB-CG 4.5Å; P679-L683 PolarHBondContact O-N 3.1Å; K680-L683 PolarHBondContact O-N 3.47Å; L683-K685 VanDerWaalsContact C-N 3.32Å; L683-K685 PolarHBondContact O-N 3.27Å; L683-G686 PolarHBondContact O-N 3.41Å; L683-V687 WeakPolarHBondContact O-CG2 3.33Å; L683-V687 PolarHBondContact O-N 3.34Å; L683-A728 HydrophobicContact CD1-CB 3.91Å; L683-L731 HydrophobicContact CB-CD2 4.07Å; L683-L731 HydrophobicContact CD2-CD2 4.24Å; L683-L732 HydrophobicContact CD2-CD2 3.68Å; L683-L732 HydrophobicContact CD2-CG 4Å |
| 684 | E | 91.4 | Very high | 87.4 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.019 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.1 | -38 | 176.4 | -69.4 | -179 | 142.6 | 0 | 0 | 111.8 | I671 K680 E682 A688 V694 Q696 | I671-E684 HydrophobicContact CB-CG 4.19Å; I671-E684 HydrophobicContact CD1-CB 4.19Å; I671-E684 HydrophobicContact CD1-CG 3.62Å; I671-E684 HydrophobicContact CG1-CG 4.46Å; K680-E684 WeakPolarHBondContact CE-OE1 3.31Å; K680-E684 HydrophobicContact CG-CG 4.21Å; K680-E684 IonicContact NZ-OE1 3.99Å; K680-E684 PolarHBondContact NZ-OE1 2.87Å; K680-E684 WeakPolarHBondContact O-CG 3.47Å; K680-E684 PolarHBondContact O-N 3.29Å; E682-E684 PolarHBondContact O-N 3.48Å; E684-A688 WeakPolarHBondContact O-CB 3.27Å; E684-A688 PolarHBondContact O-N 3.36Å; E684-A688 VanDerWaalsContact O-N 3.16Å; E684-V694 HydrophobicContact CB-CG1 4.12Å; E684-V694 HydrophobicContact CB-CG2 4.27Å; E684-V694 HydrophobicContact CG-CG1 3.65Å; E684-Q696 PolarHBondContact OE1-NE2 3.04Å |
| 685 | K | 88.9 | Confident | 87.4 | Confident | 92 Ų | 92 | 48 Ų | 48 | 40% | 0.4 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -69.9 | -36.9 | 173 | -73.5 | 175.5 | -179.4 | -176 | 0 | 112.3 | L654 V657 S681 E682 L683 A688 R689 | L654-K685 HydrophobicContact CD2-CG 3.87Å; V657-K685 HydrophobicContact CG2-CG 4.26Å; S681-K685 VanDerWaalsContact O-CG 3.3Å; S681-K685 WeakPolarHBondContact O-CG 3.38Å; S681-K685 PolarHBondContact O-N 2.81Å; E682-K685 PolarHBondContact O-N 3.05Å; L683-K685 VanDerWaalsContact C-N 3.32Å; L683-K685 PolarHBondContact O-N 3.27Å; K685-A688 PolarHBondContact O-N 3.26Å; K685-R689 WeakPolarHBondContact O-CB 3.18Å; K685-R689 VanDerWaalsContact O-CG 3.31Å; K685-R689 WeakPolarHBondContact O-CG 3.26Å; K685-R689 PolarHBondContact O-N 3.17Å |
| 686 | G | 88.9 | Confident | 87.2 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 7% | 0.072 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60 | -49.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E682 L683 A688 R689 C690 | E682-G686 PolarHBondContact O-N 3.04Å; L683-G686 PolarHBondContact O-N 3.41Å; G686-A688 VanDerWaalsContact C-N 3.33Å; G686-A688 PolarHBondContact O-N 3.34Å; G686-R689 PolarHBondContact O-N 3.06Å; G686-C690 PolarHBondContact O-N 3.07Å; G686-C690 PolarHBondContact O-SG 3.38Å |
| 687 | V | 90.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.1 | -45.8 | 174.8 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | F669 I671 L683 C690 G691 G692 V694 L731 | F669-V687 HydrophobicContact CB-CG1 4.21Å; F669-V687 HydrophobicContact CB-CG2 4.46Å; F669-V687 HydrophobicContact CD2-CG1 3.58Å; F669-V687 HydrophobicContact CD2-CG2 4.46Å; F669-V687 HydrophobicContact CE2-CG1 4.26Å; F669-V687 HydrophobicContact CG-CG1 4.11Å; F669-V687 HydrophobicContact CG-CG2 4.35Å; I671-V687 HydrophobicContact CD1-CG2 4Å; L683-V687 WeakPolarHBondContact O-CG2 3.33Å; L683-V687 PolarHBondContact O-N 3.34Å; V687-C690 CarbonylContact O-C 3.49Å; V687-C690 PolarHBondContact O-N 3.15Å; V687-G691 PolarHBondContact O-N 3.26Å; V687-G692 PolarHBondContact O-N 3.45Å; V687-V694 HydrophobicContact CB-CG2 3.93Å; V687-V694 HydrophobicContact CG1-CG2 3.79Å; V687-L731 HydrophobicContact CG2-CD1 3.9Å; V687-L731 HydrophobicContact CG2-CD2 3.82Å; V687-L731 HydrophobicContact CG2-CG 4.49Å |
| 688 | A | 88.6 | Confident | 87.4 | Confident | 20 Ų | 20 | 41.3 Ų | 41.3 | 17% | 0.165 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.8 | -38.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L654 V657 E684 K685 G686 C690 G691 | L654-A688 HydrophobicContact CD1-CB 4.13Å; L654-A688 HydrophobicContact CD2-CB 4.16Å; V657-A688 HydrophobicContact CG1-CB 4.25Å; E684-A688 WeakPolarHBondContact O-CB 3.27Å; E684-A688 PolarHBondContact O-N 3.36Å; E684-A688 VanDerWaalsContact O-N 3.16Å; K685-A688 PolarHBondContact O-N 3.26Å; G686-A688 VanDerWaalsContact C-N 3.33Å; G686-A688 PolarHBondContact O-N 3.34Å; A688-C690 PolarHBondContact O-N 3.32Å; A688-G691 PolarHBondContact O-N 2.87Å; A688-G691 VanDerWaalsContact O-N 3.17Å |
| 689 | R | 89 | Confident | 87.1 | Confident | 110 Ų | 110 | 39.8 Ų | 39.8 | 42% | 0.415 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.4 | -28.8 | 173.8 | -78.5 | 170.2 | 67.2 | -162.8 | -3 | 112 | V657 K659 E660 T661 K685 G686 | V657-R689 HydrophobicContact CG1-CB 4.37Å; V657-R689 HydrophobicContact CG1-CG 3.45Å; V657-R689 VanDerWaalsContact CG1-CG 3.45Å; K659-R689 CarbonylContact C-O 3.54Å; E660-R689 PolarHBondContact N-O 3.27Å; E660-R689 IonicContact OE1-CZ 3.02Å; E660-R689 IonicContact OE1-NE 3.43Å; E660-R689 PolarHBondContact OE1-NE 3.47Å; E660-R689 IonicContact OE1-NH2 3.92Å; E660-R689 PolarHBondContact OE1-NH2 3.21Å; E660-R689 IonicContact OE2-CZ 2.77Å; E660-R689 IonicContact OE2-NE 2.63Å; E660-R689 PolarHBondContact OE2-NE 2.94Å; E660-R689 IonicContact OE2-NH2 2.67Å; E660-R689 PolarHBondContact OE2-NH2 3.16Å; T661-R689 PolarHBondContact N-O 2.86Å; K685-R689 WeakPolarHBondContact O-CB 3.18Å; K685-R689 VanDerWaalsContact O-CG 3.31Å; K685-R689 WeakPolarHBondContact O-CG 3.26Å; K685-R689 PolarHBondContact O-N 3.17Å; G686-R689 PolarHBondContact O-N 3.06Å |
| 690 | C | 88.1 | Confident | 86.8 | Confident | 12 Ų | 12 | 48.1 Ų | 48.1 | 8% | 0.081 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 10.8 | -177.8 | -67.3 | 0 | 0 | 0 | 0 | 113.7 | T661 D662 M663 F664 G686 V687 A688 | T661-C690 CarbonylContact O-C 3.52Å; T661-C690 WeakPolarHBondContact O-CA 3.29Å; T661-C690 WeakPolarHBondContact OG1-CA 3.46Å; T661-C690 PolarHBondContact OG1-SG 3.47Å; D662-C690 CarbonylContact C-O 3.53Å; M663-C690 HydrophobicContact CE-CB 3.75Å; M663-C690 WeakPolarHBondContact CE-SG 3.49Å; M663-C690 HydrophobicContact CG-CB 3.84Å; M663-C690 PolarHBondContact N-O 2.9Å; M663-C690 HydrophobicContact SD-CB 4.16Å; F664-C690 HydrophobicContact CB-CB 4.5Å; F664-C690 HydrophobicContact CD2-CB 3.61Å; F664-C690 HydrophobicContact CE2-CB 4.26Å; F664-C690 HydrophobicContact CG-CB 4.38Å; F664-C690 PolarHBondContact N-O 3.35Å; G686-C690 PolarHBondContact O-N 3.07Å; G686-C690 PolarHBondContact O-SG 3.38Å; V687-C690 CarbonylContact O-C 3.49Å; V687-C690 PolarHBondContact O-N 3.15Å; A688-C690 PolarHBondContact O-N 3.32Å |
| 691 | G | 83.6 | Confident | 86.7 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 22% | 0.216 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | 2.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116 | T661 F664 E665 V687 A688 | T661-G691 PolarHBondContact O-N 2.96Å; F664-G691 CarbonylContact O-C 3.58Å; E665-G691 WeakPolarHBondContact CA-O 3.44Å; V687-G691 PolarHBondContact O-N 3.26Å; A688-G691 PolarHBondContact O-N 2.87Å; A688-G691 VanDerWaalsContact O-N 3.17Å |
| 692 | G | 88.6 | Confident | 87 | Confident | 10 Ų | 10 | 51.6 Ų | 51.6 | 10% | 0.103 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 156.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | F664 V687 | F664-G692 WeakPolarHBondContact O-CA 3.13Å; F664-G692 PolarHBondContact O-N 3.38Å; V687-G692 PolarHBondContact O-N 3.45Å |
| 693 | I | 89 | Confident | 87.1 | Confident | 75 Ų | 75 | 52 Ų | 52 | 39% | 0.385 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 121.1 | -178.6 | -58 | 170.2 | 0 | 0 | 0 | 109.2 | V667 E668 F669 V695 | V667-I693 PolarHBondContact O-N 3.03Å; E668-I693 CarbonylContact C-O 3.29Å; E668-I693 WeakPolarHBondContact CA-O 3.45Å; E668-I693 HydrophobicContact CG-CB 4.06Å; E668-I693 HydrophobicContact CG-CD1 4.41Å; E668-I693 HydrophobicContact CG-CG2 4.08Å; F669-I693 PolarHBondContact N-O 3.31Å; I693-V695 HydrophobicContact CG2-CG1 4.38Å |
| 694 | V | 89.6 | Confident | 87.1 | Confident | 28 Ų | 28 | 52 Ų | 52 | 17% | 0.17 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 119 | 178.8 | 178 | 0 | 0 | 0 | 0 | 110.9 | L654 F669 E684 V687 | L654-V694 HydrophobicContact CD1-CB 4.19Å; L654-V694 HydrophobicContact CD1-CG2 4.25Å; F669-V694 WeakPolarHBondContact O-CA 3.38Å; E684-V694 HydrophobicContact CB-CG1 4.12Å; E684-V694 HydrophobicContact CB-CG2 4.27Å; E684-V694 HydrophobicContact CG-CG1 3.65Å; V687-V694 HydrophobicContact CB-CG2 3.93Å; V687-V694 HydrophobicContact CG1-CG2 3.79Å |
| 695 | V | 86.1 | Confident | 87.2 | Confident | 28 Ų | 28 | 51.9 Ų | 51.9 | 17% | 0.17 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 148.1 | 174.6 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | E668 F669 C670 I693 N697 T702 | E668-V695 HydrophobicContact CG-CG1 4.39Å; F669-V695 PolarHBondContact O-N 3.2Å; C670-V695 WeakPolarHBondContact CA-O 2.9Å; C670-V695 HydrophobicContact CB-CG2 3.84Å; I693-V695 HydrophobicContact CG2-CG1 4.38Å; V695-N697 WeakPolarHBondContact CG2-O 3.2Å; V695-T702 HydrophobicContact CG2-CG2 4.39Å |
| 696 | Q | 82.6 | Confident | 87.5 | Confident | 33 Ų | 33 | 47.5 Ų | 47.5 | 15% | 0.154 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -87.2 | -16.3 | -177.4 | -65.4 | -57.3 | -46 | 0 | 0 | 113.9 | P651 E684 R713 | P651-Q696 HydrophobicContact CB-CG 4.25Å; E684-Q696 PolarHBondContact OE1-NE2 3.04Å; Q696-R713 PolarHBondContact O-NH2 2.92Å |
| 697 | N | 81.2 | Confident | 87.7 | Confident | 103 Ų | 103 | 47.1 Ų | 47.1 | 55% | 0.551 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -140.1 | 139.2 | 173.4 | -61.8 | -68.1 | 0 | 0 | 0 | 108.6 | V695 G699 R713 | V695-N697 WeakPolarHBondContact CG2-O 3.2Å; N697-G699 PolarHBondContact O-N 2.83Å; N697-R713 PolarHBondContact OD1-NH2 3.28Å |
| 698 | P | 84 | Confident | 87.5 | Confident | 32 Ų | 32 | 47.7 Ų | 47.7 | 21% | 0.208 | 25% | 0.245 | C | C | . | . | trans | -68.6 | 127.4 | -179 | 28.5 | -32.2 | 0 | 0 | 0 | 110.5 | C670 T702 V705 L717 | C670-P698 HydrophobicContact CB-CB 4.19Å; P698-T702 WeakPolarHBondContact CA-OG1 3.48Å; P698-T702 HydrophobicContact CB-CG2 4.09Å; P698-V705 HydrophobicContact CB-CG2 3.76Å; P698-V705 HydrophobicContact CG-CG2 4.17Å; P698-L717 HydrophobicContact CG-CD1 3.72Å; P698-L717 HydrophobicContact CG-CD2 4.32Å | ||
| 699 | G | 80.9 | Confident | 87.4 | Confident | 33 Ų | 33 | 50.2 Ų | 50.2 | 34% | 0.34 | 26% | 0.259 | S | S | . | . | trans | -99.1 | -167.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N697 D701 T702 H723 | N697-G699 PolarHBondContact O-N 2.83Å; G699-D701 VanDerWaalsContact C-N 3.31Å; G699-T702 PolarHBondContact N-OG1 3.29Å; G699-H723 PolarHBondContact O-NE2 2.81Å | ||
| 700 | R | 81.8 | Confident | 87.1 | Confident | 242 Ų | 242 | 49.5 Ų | 49.5 | 91% | 0.913 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -71.7 | -29.4 | 175.9 | -71.9 | -176 | -179.5 | -177 | -0.4 | 112.7 | ||
| 701 | D | 84.6 | Confident | 86.6 | Confident | 131 Ų | 131 | 51.9 Ų | 51.9 | 70% | 0.701 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -96.6 | 1.7 | -173.8 | -48.9 | -51.7 | 0 | 0 | 0 | 112.1 | G699 Y703 | G699-D701 VanDerWaalsContact C-N 3.31Å; D701-Y703 PolarHBondContact O-N 2.73Å |
| 702 | T | 89.9 | Confident | 85.5 | Confident | 11 Ų | 11 | 57.3 Ų | 57.3 | 7% | 0.067 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 115.7 | 176.3 | -58.3 | 0 | 0 | 0 | 0 | 110.3 | C670 V695 P698 G699 V705 | C670-T702 HydrophobicContact CB-CG2 3.84Å; V695-T702 HydrophobicContact CG2-CG2 4.39Å; P698-T702 WeakPolarHBondContact CA-OG1 3.48Å; P698-T702 HydrophobicContact CB-CG2 4.09Å; G699-T702 PolarHBondContact N-OG1 3.29Å; T702-V705 HydrophobicContact CG2-CG2 4.46Å |
| 703 | Y | 90.4 | Very high | 84.6 | Confident | 100 Ų | 100 | 59.6 Ų | 59.6 | 39% | 0.392 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | -52.5 | -178 | 175.3 | -110.4 | 0 | 0 | 0 | 112 | V667 E668 F669 D701 W730 W743 | V667-Y703 VanDerWaalsContact CG1-CB 3.43Å; V667-Y703 HydrophobicContact CG1-CD1 3.78Å; V667-Y703 HydrophobicContact CG1-CD2 4.28Å; V667-Y703 HydrophobicContact CG1-CG 3.57Å; E668-Y703 WeakPolarHBondContact O-CB 3.22Å; E668-Y703 PolarHBondContact O-N 3.28Å; F669-Y703 HydrophobicContact CD1-CD1 4.49Å; F669-Y703 AromaticContact CE1-CD1 3.73Å; F669-Y703 HydrophobicContact CE1-CD1 3.73Å; F669-Y703 HydrophobicContact CE1-CE1 4.25Å; F669-Y703 AromaticContact CZ-CD1 3.89Å; F669-Y703 HydrophobicContact CZ-CD1 3.89Å; F669-Y703 HydrophobicContact CZ-CE1 4.37Å; D701-Y703 PolarHBondContact O-N 2.73Å; Y703-W730 HydrophobicContact CE1-CH2 4.14Å; Y703-W743 HydrophobicContact CD1-CH2 4.48Å; Y703-W743 HydrophobicContact CD1-CZ2 4.05Å; Y703-W743 AromaticContact CE1-CH2 3.99Å; Y703-W743 HydrophobicContact CE1-CH2 3.99Å; Y703-W743 AromaticContact CE1-CZ2 3.37Å; Y703-W743 HydrophobicContact CE1-CZ2 3.37Å; Y703-W743 HydrophobicContact CE2-CH2 4.17Å; Y703-W743 HydrophobicContact CE2-CZ2 4.33Å; Y703-W743 AromaticContact CZ-CH2 3.81Å; Y703-W743 AromaticContact CZ-CZ2 3.53Å |
| 704 | C | 92.3 | Very high | 84.3 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 163.3 | 171.4 | 71.4 | 0 | 0 | 0 | 0 | 112.6 | C670 V726 W743 | C670-C704 PolarHBondContact N-O 2.99Å; C704-V726 HydrophobicContact CB-CG1 4.41Å; C704-V726 HydrophobicContact CB-CG2 4.43Å; C704-W743 HydrophobicContact CB-CH2 3.81Å; C704-W743 HydrophobicContact CB-CZ2 3.53Å |
| 705 | V | 94.1 | Very high | 83.8 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 123 | 174.4 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | C670 L672 P698 T702 L717 H723 D724 V725 V726 | C670-V705 HydrophobicContact CB-CG1 4.44Å; C670-V705 HydrophobicContact CB-CG2 4.12Å; C670-V705 CarbonylContact O-C 3.56Å; C670-V705 WeakPolarHBondContact O-CA 3.48Å; C670-V705 WeakPolarHBondContact O-CG1 3.29Å; L672-V705 HydrophobicContact CD1-CG1 3.42Å; L672-V705 VanDerWaalsContact CD1-CG1 3.42Å; L672-V705 HydrophobicContact CD2-CG1 4.3Å; L672-V705 HydrophobicContact CG-CG1 3.46Å; L672-V705 VanDerWaalsContact CG-CG1 3.46Å; P698-V705 HydrophobicContact CB-CG2 3.76Å; P698-V705 HydrophobicContact CG-CG2 4.17Å; T702-V705 HydrophobicContact CG2-CG2 4.46Å; V705-L717 HydrophobicContact CB-CD2 3.88Å; V705-L717 HydrophobicContact CG1-CD2 3.64Å; V705-L717 HydrophobicContact CG2-CD2 3.66Å; V705-H723 HydrophobicContact CG2-CB 4.07Å; V705-D724 PolarHBondContact N-O 3.47Å; V705-V725 HydrophobicContact CB-CG1 4.44Å; V705-V725 HydrophobicContact CB-CG2 4.37Å; V705-V725 HydrophobicContact CG1-CG1 4.48Å; V705-V725 CarbonylContact O-C 3.54Å; V705-V725 VanDerWaalsContact O-CA 3.27Å; V705-V725 WeakPolarHBondContact O-CA 3.31Å; V705-V726 PolarHBondContact O-N 2.95Å |
| 706 | V | 94.8 | Very high | 83.1 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130.3 | -177.6 | -174.1 | 0 | 0 | 0 | 0 | 110 | F669 C670 I671 L672 V726 A728 L731 | F669-V706 HydrophobicContact CD1-CG2 4.28Å; C670-V706 PolarHBondContact O-N 3.49Å; I671-V706 HydrophobicContact CG1-CB 4.11Å; I671-V706 HydrophobicContact CG1-CG2 4.45Å; L672-V706 PolarHBondContact N-O 3.03Å; V706-V726 HydrophobicContact CB-CG2 4.36Å; V706-V726 HydrophobicContact CG2-CG2 3.84Å; V706-A728 HydrophobicContact CG1-CB 3.9Å; V706-L731 HydrophobicContact CG1-CB 4.2Å; V706-L731 HydrophobicContact CG1-CD2 4.13Å; V706-L731 HydrophobicContact CG2-CD2 4.33Å |
| 707 | A | 92.5 | Very high | 82.9 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 132.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N673 V714 V725 V726 W727 A728 I749 | N673-A707 WeakPolarHBondContact OD1-CA 3.18Å; N673-A707 WeakPolarHBondContact OD1-CB 2.96Å; A707-V714 HydrophobicContact CB-CG2 3.68Å; A707-V725 HydrophobicContact CB-CG1 4.41Å; A707-V726 PolarHBondContact N-O 3.05Å; A707-W727 CarbonylContact O-C 3.53Å; A707-W727 WeakPolarHBondContact O-CA 3.48Å; A707-A728 PolarHBondContact O-N 3.13Å; A707-I749 HydrophobicContact CB-CD1 3.8Å |
| 708 | G | 87.1 | Confident | 83.2 | Confident | 11 Ų | 11 | 60.1 Ų | 60.1 | 11% | 0.113 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -84.4 | -20.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | N673 | N673-G708 PolarHBondContact O-N 3.42Å; N673-G708 PolarHBondContact OD1-N 3.05Å |
| 709 | V | 85.6 | Confident | 82.9 | Confident | 73 Ų | 73 | 63.1 Ų | 63.1 | 44% | 0.442 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -146.4 | 144.1 | 176.5 | -66.6 | 0 | 0 | 0 | 0 | 112.5 | N673 N711 | N673-V709 HydrophobicContact CB-CG2 4.44Å; N673-V709 VanDerWaalsContact ND2-CG2 3.35Å; N673-V709 WeakPolarHBondContact ND2-CG2 3.23Å; N673-V709 PolarHBondContact ND2-O 3.07Å; N673-V709 PolarHBondContact OD1-N 3.09Å; N673-V709 VanDerWaalsContact OD1-N 3.13Å; V709-N711 PolarHBondContact O-N 3.33Å |
| 710 | E | 82.7 | Confident | 82.9 | Confident | 95 Ų | 95 | 63.9 Ų | 63.9 | 44% | 0.444 | 32% | 0.318 | S | S | . | . | trans | -76.6 | 79.6 | 175.5 | -81.3 | -171.3 | -131.2 | 0 | 0 | 113.1 | V714 W727 I749 | E710-V714 HydrophobicContact CG-CG1 4.34Å; E710-W727 HydrophobicContact CG-CH2 3.94Å; E710-I749 HydrophobicContact CG-CG2 3.71Å | ||
| 711 | N | 77.4 | Confident | 83 | Confident | 63 Ų | 63 | 55.4 Ų | 55.4 | 34% | 0.337 | 29% | 0.291 | S | S | . | . | trans | -87.6 | 173.8 | 172.5 | 73.2 | 23.6 | 0 | 0 | 0 | 112.2 | N673 V709 R713 V714 K715 | N673-N711 PolarHBondContact ND2-ND2 3.31Å; V709-N711 PolarHBondContact O-N 3.33Å; N711-R713 PolarHBondContact O-N 3.28Å; N711-R713 VanDerWaalsContact O-N 3.07Å; N711-R713 WeakPolarHBondContact OD1-CB 3.34Å; N711-R713 PolarHBondContact OD1-N 3.16Å; N711-V714 WeakPolarHBondContact O-CB 3.38Å; N711-V714 PolarHBondContact O-N 2.94Å; N711-V714 PolarHBondContact OD1-N 3.26Å; N711-V714 VanDerWaalsContact OD1-N 3.13Å; N711-K715 PolarHBondContact O-N 3.16Å | ||
| 712 | M | 60.2 | Low | 83 | Confident | 134 Ų | 134 | 56 Ų | 56 | 66% | 0.66 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -56 | -27.9 | -179.4 | -69.6 | -61.8 | -61.7 | 0 | 0 | 114.3 | N716 | M712-N716 WeakPolarHBondContact O-CB 3.41Å; M712-N716 PolarHBondContact O-N 3.15Å; M712-N716 PolarHBondContact O-ND2 2.88Å |
| 713 | R | 70.4 | Confident | 83.1 | Confident | 59 Ų | 59 | 56.7 Ų | 56.7 | 22% | 0.223 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -73.9 | -41.1 | 178 | -171.9 | 177.3 | 179.1 | -167.7 | -3.1 | 111 | F649 L672 Q696 N697 N711 N716 L717 | F649-R713 VanDerWaalsContact CE1-NH1 3.31Å; L672-R713 HydrophobicContact CD2-CG 4.48Å; Q696-R713 PolarHBondContact O-NH2 2.92Å; N697-R713 PolarHBondContact OD1-NH2 3.28Å; N711-R713 PolarHBondContact O-N 3.28Å; N711-R713 VanDerWaalsContact O-N 3.07Å; N711-R713 WeakPolarHBondContact OD1-CB 3.34Å; N711-R713 PolarHBondContact OD1-N 3.16Å; R713-N716 PolarHBondContact O-N 3.28Å; R713-L717 PolarHBondContact O-N 3.29Å |
| 714 | V | 82.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.2 | -49.7 | 171.4 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | L672 A707 E710 N711 N716 L717 I718 V725 I749 | L672-V714 HydrophobicContact CB-CG2 4.42Å; L672-V714 HydrophobicContact CD1-CG2 3.78Å; A707-V714 HydrophobicContact CB-CG2 3.68Å; E710-V714 HydrophobicContact CG-CG1 4.34Å; N711-V714 WeakPolarHBondContact O-CB 3.38Å; N711-V714 PolarHBondContact O-N 2.94Å; N711-V714 PolarHBondContact OD1-N 3.26Å; N711-V714 VanDerWaalsContact OD1-N 3.13Å; V714-N716 VanDerWaalsContact C-N 3.33Å; V714-N716 PolarHBondContact O-N 3.47Å; V714-L717 WeakPolarHBondContact O-CA 3.46Å; V714-L717 WeakPolarHBondContact O-CB 3.5Å; V714-L717 PolarHBondContact O-N 3.36Å; V714-I718 HydrophobicContact CG1-CD1 3.8Å; V714-I718 HydrophobicContact CG1-CG1 4.28Å; V714-I718 VanDerWaalsContact O-CG1 3.26Å; V714-I718 WeakPolarHBondContact O-CG1 3.24Å; V714-I718 PolarHBondContact O-N 2.64Å; V714-V725 HydrophobicContact CG1-CG1 4.1Å; V714-I749 HydrophobicContact CG1-CG2 4.27Å |
| 715 | K | 79.9 | Confident | 83.3 | Confident | 108 Ų | 108 | 52.6 Ų | 52.6 | 47% | 0.47 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.4 | -40.4 | 177.3 | -66.6 | -173.4 | 177.8 | -171.5 | 0 | 113.6 | N711 I718 S719 | N711-K715 PolarHBondContact O-N 3.16Å; K715-I718 PolarHBondContact O-N 3.22Å; K715-S719 PolarHBondContact O-N 3.03Å |
| 716 | N | 70.6 | Confident | 83.4 | Confident | 103 Ų | 103 | 52.6 Ų | 52.6 | 55% | 0.551 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -66.1 | -38.1 | 174.6 | -73.6 | -16.6 | 0 | 0 | 0 | 112.1 | M712 R713 V714 S719 S720 | M712-N716 WeakPolarHBondContact O-CB 3.41Å; M712-N716 PolarHBondContact O-N 3.15Å; M712-N716 PolarHBondContact O-ND2 2.88Å; R713-N716 PolarHBondContact O-N 3.28Å; V714-N716 VanDerWaalsContact C-N 3.33Å; V714-N716 PolarHBondContact O-N 3.47Å; N716-S719 PolarHBondContact O-N 3.37Å; N716-S719 PolarHBondContact O-OG 3.27Å; N716-S720 PolarHBondContact O-N 3.04Å |
| 717 | L | 79.3 | Confident | 83.3 | Confident | 27 Ų | 27 | 56.2 Ų | 56.2 | 14% | 0.141 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.8 | -43.4 | 176.2 | -171.9 | 72.5 | 0 | 0 | 0 | 111.3 | L672 P698 V705 R713 V714 S719 S720 V725 | L672-L717 HydrophobicContact CD1-CD2 4.11Å; P698-L717 HydrophobicContact CG-CD1 3.72Å; P698-L717 HydrophobicContact CG-CD2 4.32Å; V705-L717 HydrophobicContact CB-CD2 3.88Å; V705-L717 HydrophobicContact CG1-CD2 3.64Å; V705-L717 HydrophobicContact CG2-CD2 3.66Å; R713-L717 PolarHBondContact O-N 3.29Å; V714-L717 WeakPolarHBondContact O-CA 3.46Å; V714-L717 WeakPolarHBondContact O-CB 3.5Å; V714-L717 PolarHBondContact O-N 3.36Å; L717-S719 PolarHBondContact O-N 3.09Å; L717-S720 WeakPolarHBondContact O-CA 3.48Å; L717-S720 VanDerWaalsContact O-CB 3.3Å; L717-S720 WeakPolarHBondContact O-CB 3.4Å; L717-S720 PolarHBondContact O-N 3.28Å; L717-S720 PolarHBondContact O-OG 3.22Å; L717-V725 HydrophobicContact CD2-CG2 3.97Å |
| 718 | I | 86.3 | Confident | 83.4 | Confident | 40 Ų | 40 | 56.2 Ų | 56.2 | 21% | 0.205 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -54.5 | -43.5 | 172.8 | -68.1 | 175 | 0 | 0 | 0 | 110.5 | V714 K715 S720 N721 V725 I749 H750 | V714-I718 HydrophobicContact CG1-CD1 3.8Å; V714-I718 HydrophobicContact CG1-CG1 4.28Å; V714-I718 VanDerWaalsContact O-CG1 3.26Å; V714-I718 WeakPolarHBondContact O-CG1 3.24Å; V714-I718 PolarHBondContact O-N 2.64Å; K715-I718 PolarHBondContact O-N 3.22Å; I718-S720 PolarHBondContact O-N 3.49Å; I718-N721 PolarHBondContact O-N 3.06Å; I718-V725 HydrophobicContact CG1-CG2 4.36Å; I718-I749 HydrophobicContact CD1-CG2 3.81Å; I718-H750 HydrophobicContact CB-CB 4.42Å; I718-H750 HydrophobicContact CD1-CB 4.06Å; I718-H750 HydrophobicContact CG1-CB 3.64Å; I718-H750 HydrophobicContact CG2-CB 4.24Å |
| 719 | S | 78.3 | Confident | 83.6 | Confident | 95 Ų | 95 | 58.8 Ų | 58.8 | 66% | 0.664 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.9 | -21.2 | 177.9 | 78 | 0 | 0 | 0 | 0 | 114.1 | K715 N716 L717 N721 | K715-S719 PolarHBondContact O-N 3.03Å; N716-S719 PolarHBondContact O-N 3.37Å; N716-S719 PolarHBondContact O-OG 3.27Å; L717-S719 PolarHBondContact O-N 3.09Å; S719-N721 VanDerWaalsContact C-N 3.35Å |
| 720 | S | 80.6 | Confident | 84 | Confident | 49 Ų | 49 | 55.3 Ų | 55.3 | 34% | 0.343 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -75.7 | -25.8 | 174.4 | 79.4 | 0 | 0 | 0 | 0 | 112.4 | N716 L717 I718 Q722 | N716-S720 PolarHBondContact O-N 3.04Å; L717-S720 WeakPolarHBondContact O-CA 3.48Å; L717-S720 VanDerWaalsContact O-CB 3.3Å; L717-S720 WeakPolarHBondContact O-CB 3.4Å; L717-S720 PolarHBondContact O-N 3.28Å; L717-S720 PolarHBondContact O-OG 3.22Å; I718-S720 PolarHBondContact O-N 3.49Å; S720-Q722 VanDerWaalsContact O-CG 3.29Å; S720-Q722 WeakPolarHBondContact O-CG 3.34Å; S720-Q722 PolarHBondContact O-N 3.39Å |
| 721 | N | 84.6 | Confident | 84.5 | Confident | 64 Ų | 64 | 50.8 Ų | 50.8 | 34% | 0.342 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 35.8 | 177 | -164 | 70.2 | 0 | 0 | 0 | 113.1 | I718 S719 H750 P753 R756 | I718-N721 PolarHBondContact O-N 3.06Å; S719-N721 VanDerWaalsContact C-N 3.35Å; N721-H750 PolarHBondContact OD1-CE1 2.87Å; N721-H750 PolarHBondContact OD1-NE2 3.18Å; N721-P753 WeakPolarHBondContact ND2-CG 3.48Å; N721-P753 WeakPolarHBondContact O-CD 3.44Å; N721-R756 PolarHBondContact OD1-NH2 3.47Å |
| 722 | Q | 84.8 | Confident | 85.2 | Confident | 143 Ų | 143 | 49 Ų | 49 | 67% | 0.668 | 26% | 0.255 | S | S | * | . | trans | -110 | -25.7 | -176.4 | -62.4 | -163.6 | -39.8 | 0 | 0 | 114.6 | S720 | S720-Q722 VanDerWaalsContact O-CG 3.29Å; S720-Q722 WeakPolarHBondContact O-CG 3.34Å; S720-Q722 PolarHBondContact O-N 3.39Å | ||
| 723 | H | 90.1 | Very high | 86.7 | Confident | 26 Ų | 26 | 45.1 Ų | 45.1 | 12% | 0.12 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -130.2 | 147.5 | -172.5 | -62.6 | 91.5 | 0 | 0 | 0 | 110.9 | G699 V705 H750 | G699-H723 PolarHBondContact O-NE2 2.81Å; V705-H723 HydrophobicContact CG2-CB 4.07Å; H723-H750 PolarHBondContact O-CD2 3.25Å |
| 724 | D | 94.1 | Very high | 87.6 | Confident | 15 Ų | 15 | 42.3 Ų | 42.3 | 8% | 0.08 | 22% | 0.224 | C | C | . | . | trans | -72.8 | 130.7 | 168.7 | -71.2 | -62.7 | 0 | 0 | 0 | 110.5 | V705 W743 M748 M751 S752 T755 | V705-D724 PolarHBondContact N-O 3.47Å; D724-W743 HydrophobicContact CB-CH2 4.22Å; D724-W743 HydrophobicContact CB-CZ3 4.22Å; D724-M748 HydrophobicContact CB-CE 3.97Å; D724-M751 WeakPolarHBondContact OD1-CA 3.4Å; D724-S752 PolarHBondContact OD1-N 3.24Å; D724-S752 PolarHBondContact OD1-OG 3.22Å; D724-S752 PolarHBondContact OD2-OG 3.17Å; D724-T755 VanDerWaalsContact CG-OG1 3.22Å; D724-T755 WeakPolarHBondContact OD1-CB 3.31Å; D724-T755 WeakPolarHBondContact OD1-CG2 3.45Å; D724-T755 PolarHBondContact OD1-OG1 2.9Å; D724-T755 PolarHBondContact OD2-OG1 2.72Å | ||
| 725 | V | 94.6 | Very high | 87.9 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 118.7 | 178.8 | -167.4 | 0 | 0 | 0 | 0 | 108.7 | V705 A707 V714 L717 I718 I749 H750 | V705-V725 HydrophobicContact CB-CG1 4.44Å; V705-V725 HydrophobicContact CB-CG2 4.37Å; V705-V725 HydrophobicContact CG1-CG1 4.48Å; V705-V725 CarbonylContact O-C 3.54Å; V705-V725 VanDerWaalsContact O-CA 3.27Å; V705-V725 WeakPolarHBondContact O-CA 3.31Å; A707-V725 HydrophobicContact CB-CG1 4.41Å; V714-V725 HydrophobicContact CG1-CG1 4.1Å; L717-V725 HydrophobicContact CD2-CG2 3.97Å; I718-V725 HydrophobicContact CG1-CG2 4.36Å; V725-I749 HydrophobicContact CB-CB 4.22Å; V725-I749 HydrophobicContact CG1-CB 4.08Å; V725-I749 HydrophobicContact CG1-CD1 4.02Å; V725-I749 WeakPolarHBondContact O-CB 3.42Å; V725-I749 PolarHBondContact O-N 2.98Å; V725-H750 HydrophobicContact CB-CB 4.1Å; V725-H750 HydrophobicContact CG2-CB 4.13Å; V725-H750 PolarHBondContact N-O 3.28Å; V725-H750 PolarHBondContact O-N 3.48Å |
| 726 | V | 94.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 150.6 | -176.7 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | C704 V705 V706 A707 W730 W743 H747 M748 | C704-V726 HydrophobicContact CB-CG1 4.41Å; C704-V726 HydrophobicContact CB-CG2 4.43Å; V705-V726 PolarHBondContact O-N 2.95Å; V706-V726 HydrophobicContact CB-CG2 4.36Å; V706-V726 HydrophobicContact CG2-CG2 3.84Å; A707-V726 PolarHBondContact N-O 3.05Å; V726-W730 HydrophobicContact CB-CE3 4.38Å; V726-W730 HydrophobicContact CG2-CE3 3.68Å; V726-W730 HydrophobicContact CG2-CZ3 4.12Å; V726-W743 HydrophobicContact CG1-CD2 4.48Å; V726-W743 HydrophobicContact CG1-CZ2 4.26Å; V726-H747 CarbonylContact C-O 3.5Å; V726-H747 VanDerWaalsContact CA-O 3.25Å; V726-H747 WeakPolarHBondContact CA-O 3.38Å; V726-H747 WeakPolarHBondContact CB-O 3.25Å; V726-M748 HydrophobicContact CG1-CE 4.1Å; V726-M748 HydrophobicContact CG1-SD 3.64Å |
| 727 | W | 93.9 | Very high | 89.2 | Confident | 76 Ų | 76 | 45.9 Ų | 45.9 | 29% | 0.288 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 141 | 171.9 | -72.4 | 113.1 | 0 | 0 | 0 | 110.7 | A707 E710 S729 W730 H747 I749 | A707-W727 CarbonylContact O-C 3.53Å; A707-W727 WeakPolarHBondContact O-CA 3.48Å; E710-W727 HydrophobicContact CG-CH2 3.94Å; W727-S729 WeakPolarHBondContact CB-OG 3.43Å; W727-S729 PolarHBondContact O-N 3.46Å; W727-S729 VanDerWaalsContact O-N 3.13Å; W727-W730 WeakPolarHBondContact O-CB 3.36Å; W727-W730 PolarHBondContact O-N 3.4Å; W727-H747 PolarHBondContact N-O 3.47Å; W727-I749 HydrophobicContact CD2-CD1 3.63Å; W727-I749 HydrophobicContact CD2-CG1 3.39Å; W727-I749 HydrophobicContact CE3-CD1 3.51Å; W727-I749 HydrophobicContact CE3-CG1 3.83Å; W727-I749 HydrophobicContact CG-CD1 4.2Å; W727-I749 HydrophobicContact CG-CG1 3.75Å; W727-I749 HydrophobicContact CH2-CD1 4.1Å; W727-I749 HydrophobicContact CH2-CG1 4.11Å; W727-I749 HydrophobicContact CZ2-CD1 4.22Å; W727-I749 HydrophobicContact CZ2-CG1 3.71Å; W727-I749 HydrophobicContact CZ3-CD1 3.76Å; W727-I749 HydrophobicContact CZ3-CG1 4.16Å |
| 728 | A | 93.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.3 | -21.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T675 L683 V706 A707 W730 L731 L732 | T675-A728 HydrophobicContact CG2-CB 3.78Å; L683-A728 HydrophobicContact CD1-CB 3.91Å; V706-A728 HydrophobicContact CG1-CB 3.9Å; A707-A728 PolarHBondContact O-N 3.13Å; A728-W730 VanDerWaalsContact C-N 3.29Å; A728-W730 PolarHBondContact O-N 3.27Å; A728-L731 PolarHBondContact O-N 2.9Å; A728-L732 WeakPolarHBondContact O-CG 3.23Å; A728-L732 PolarHBondContact O-N 2.91Å; A728-L732 VanDerWaalsContact O-N 3.08Å |
| 729 | S | 90.7 | Very high | 89.4 | Confident | 65 Ų | 65 | 56.1 Ų | 56.1 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.7 | -37.5 | 172.2 | 48.7 | 0 | 0 | 0 | 0 | 112.8 | W727 L732 E733 | W727-S729 WeakPolarHBondContact CB-OG 3.43Å; W727-S729 PolarHBondContact O-N 3.46Å; W727-S729 VanDerWaalsContact O-N 3.13Å; S729-L732 PolarHBondContact O-N 3.38Å; S729-E733 PolarHBondContact O-N 3.31Å |
| 730 | W | 94.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 176.5 | 166.7 | 75.7 | 0 | 0 | 0 | 112 | F669 Y703 V726 W727 A728 L732 E733 C734 V740 V741 W743 H747 | F669-W730 AromaticContact CE1-CH2 3.92Å; F669-W730 HydrophobicContact CE1-CH2 3.92Å; F669-W730 AromaticContact CE1-CZ3 3.94Å; F669-W730 HydrophobicContact CE1-CZ3 3.94Å; F669-W730 HydrophobicContact CZ-CH2 4.48Å; Y703-W730 HydrophobicContact CE1-CH2 4.14Å; V726-W730 HydrophobicContact CB-CE3 4.38Å; V726-W730 HydrophobicContact CG2-CE3 3.68Å; V726-W730 HydrophobicContact CG2-CZ3 4.12Å; W727-W730 WeakPolarHBondContact O-CB 3.36Å; W727-W730 PolarHBondContact O-N 3.4Å; A728-W730 VanDerWaalsContact C-N 3.29Å; A728-W730 PolarHBondContact O-N 3.27Å; W730-L732 VanDerWaalsContact C-N 3.29Å; W730-L732 PolarHBondContact O-N 3.48Å; W730-E733 WeakPolarHBondContact O-CB 3.41Å; W730-E733 PolarHBondContact O-N 3.43Å; W730-C734 PolarHBondContact O-N 3.28Å; W730-C734 PolarHBondContact O-SG 3.35Å; W730-V740 HydrophobicContact CZ2-CG1 4.27Å; W730-V741 PolarHBondContact NE1-O 3.14Å; W730-W743 AromaticContact CD1-CD1 3.93Å; W730-W743 AromaticContact CD2-CD1 3.95Å; W730-W743 AromaticContact CD2-NE1 3.72Å; W730-W743 AromaticContact CE2-CD1 3.41Å; W730-W743 VanDerWaalsContact CE2-CD1 3.41Å; W730-W743 AromaticContact CE2-NE1 3.24Å; W730-W743 AromaticContact CH2-NE1 3.62Å; W730-W743 AromaticContact CZ2-CD1 3.75Å; W730-W743 AromaticContact CZ2-NE1 3.18Å; W730-W743 AromaticContact NE1-CD1 3.38Å; W730-W743 AromaticContact NE1-NE1 3.75Å; W730-H747 HydrophobicContact CB-CB 3.9Å; W730-H747 AromaticContact CD1-CG 3.8Å; W730-H747 AromaticContact CD1-ND1 3.54Å; W730-H747 HydrophobicContact CG-CB 4.18Å |
| 731 | L | 93.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 177.6 | 177.3 | 61.6 | 0 | 0 | 0 | 110.6 | F664 I671 L683 V687 V706 A728 E733 C734 L735 | F664-L731 HydrophobicContact CE2-CD1 3.86Å; F664-L731 HydrophobicContact CZ-CD1 4.03Å; I671-L731 HydrophobicContact CD1-CD2 4.32Å; L683-L731 HydrophobicContact CB-CD2 4.07Å; L683-L731 HydrophobicContact CD2-CD2 4.24Å; V687-L731 HydrophobicContact CG2-CD1 3.9Å; V687-L731 HydrophobicContact CG2-CD2 3.82Å; V687-L731 HydrophobicContact CG2-CG 4.49Å; V706-L731 HydrophobicContact CG1-CB 4.2Å; V706-L731 HydrophobicContact CG1-CD2 4.13Å; V706-L731 HydrophobicContact CG2-CD2 4.33Å; A728-L731 PolarHBondContact O-N 2.9Å; L731-E733 VanDerWaalsContact C-N 3.35Å; L731-C734 PolarHBondContact O-N 2.73Å; L731-L735 HydrophobicContact CD1-CD1 4.47Å; L731-L735 HydrophobicContact CD1-CG 4.39Å; L731-L735 HydrophobicContact CG-CD1 4.15Å; L731-L735 VanDerWaalsContact O-CG 3.23Å; L731-L735 WeakPolarHBondContact O-CG 3.32Å; L731-L735 PolarHBondContact O-N 2.85Å |
| 732 | L | 92.1 | Very high | 90.2 | Very high | 26 Ų | 26 | 54.3 Ų | 54.3 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 175.7 | -69.6 | 166.5 | 0 | 0 | 0 | 111.8 | H678 L683 A728 S729 W730 C734 L735 D736 | H678-L732 HydrophobicContact CB-CD1 4.25Å; H678-L732 HydrophobicContact CB-CD2 4.18Å; H678-L732 WeakPolarHBondContact CD2-CD1 3.31Å; L683-L732 HydrophobicContact CD2-CD2 3.68Å; L683-L732 HydrophobicContact CD2-CG 4Å; A728-L732 WeakPolarHBondContact O-CG 3.23Å; A728-L732 PolarHBondContact O-N 2.91Å; A728-L732 VanDerWaalsContact O-N 3.08Å; S729-L732 PolarHBondContact O-N 3.38Å; W730-L732 VanDerWaalsContact C-N 3.29Å; W730-L732 PolarHBondContact O-N 3.48Å; L732-C734 VanDerWaalsContact C-N 3.32Å; L732-C734 PolarHBondContact O-N 3.32Å; L732-L735 PolarHBondContact O-N 2.88Å; L732-L735 VanDerWaalsContact O-N 3.15Å; L732-D736 WeakPolarHBondContact O-CB 3.18Å; L732-D736 PolarHBondContact O-N 3.06Å |
| 733 | E | 91.3 | Very high | 90.5 | Very high | 51 Ų | 51 | 49.4 Ų | 49.4 | 24% | 0.238 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 175.5 | -164.7 | 179 | 172.4 | 0 | 0 | 111.7 | S729 W730 L731 L735 D736 Q737 V741 R746 H747 | S729-E733 PolarHBondContact O-N 3.31Å; W730-E733 WeakPolarHBondContact O-CB 3.41Å; W730-E733 PolarHBondContact O-N 3.43Å; L731-E733 VanDerWaalsContact C-N 3.35Å; E733-L735 VanDerWaalsContact C-N 3.35Å; E733-L735 PolarHBondContact O-N 3.22Å; E733-D736 PolarHBondContact O-N 3.39Å; E733-Q737 WeakPolarHBondContact O-CB 3.4Å; E733-Q737 WeakPolarHBondContact O-CG 3.22Å; E733-Q737 PolarHBondContact O-N 3.45Å; E733-Q737 PolarHBondContact OE1-NE2 3.01Å; E733-V741 HydrophobicContact CG-CG2 4.09Å; E733-R746 IonicContact OE1-NH2 3.6Å; E733-R746 IonicContact OE2-NH2 3.69Å; E733-H747 IonicContact OE2-CE1 3.95Å; E733-H747 IonicContact OE2-NE2 3.25Å; E733-H747 PolarHBondContact OE2-NE2 2.95Å |
| 734 | C | 90.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 174.7 | -61.6 | 0 | 0 | 0 | 0 | 112.4 | M663 F664 W730 L731 L732 K738 E739 V741 | M663-C734 HydrophobicContact CE-CB 4.44Å; M663-C734 WeakPolarHBondContact CE-O 3.29Å; F664-C734 HydrophobicContact CZ-CB 3.93Å; W730-C734 PolarHBondContact O-N 3.28Å; W730-C734 PolarHBondContact O-SG 3.35Å; L731-C734 PolarHBondContact O-N 2.73Å; L732-C734 VanDerWaalsContact C-N 3.32Å; L732-C734 PolarHBondContact O-N 3.32Å; C734-K738 WeakPolarHBondContact O-CA 3.33Å; C734-K738 PolarHBondContact O-N 2.91Å; C734-E739 WeakPolarHBondContact CA-O 3.37Å; C734-E739 WeakPolarHBondContact CB-O 3.2Å; C734-E739 PolarHBondContact O-N 3.2Å; C734-V741 PolarHBondContact SG-N 3.37Å; C734-V741 VanDerWaalsContact SG-N 3.36Å |
| 735 | L | 89.3 | Confident | 89.8 | Confident | 38 Ų | 38 | 51 Ų | 51 | 20% | 0.199 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.9 | -37.8 | 178.8 | -68.5 | 172 | 0 | 0 | 0 | 112.1 | M663 L731 L732 E733 | M663-L735 HydrophobicContact CE-CD2 4.01Å; L731-L735 HydrophobicContact CD1-CD1 4.47Å; L731-L735 HydrophobicContact CD1-CG 4.39Å; L731-L735 HydrophobicContact CG-CD1 4.15Å; L731-L735 VanDerWaalsContact O-CG 3.23Å; L731-L735 WeakPolarHBondContact O-CG 3.32Å; L731-L735 PolarHBondContact O-N 2.85Å; L732-L735 PolarHBondContact O-N 2.88Å; L732-L735 VanDerWaalsContact O-N 3.15Å; E733-L735 VanDerWaalsContact C-N 3.35Å; E733-L735 PolarHBondContact O-N 3.22Å |
| 736 | D | 89.1 | Confident | 89.3 | Confident | 139 Ų | 139 | 54.4 Ų | 54.4 | 74% | 0.743 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -72.7 | -42.5 | 179.2 | -79.4 | -6.4 | 0 | 0 | 0 | 111.9 | L732 E733 K738 | L732-D736 WeakPolarHBondContact O-CB 3.18Å; L732-D736 PolarHBondContact O-N 3.06Å; E733-D736 PolarHBondContact O-N 3.39Å; D736-K738 VanDerWaalsContact C-N 3.31Å |
| 737 | Q | 86.8 | Confident | 89 | Confident | 110 Ų | 110 | 54.6 Ų | 54.6 | 51% | 0.514 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -79.6 | -14.8 | 179 | -64.3 | -179.4 | 16.4 | 0 | 0 | 113 | E733 E739 | E733-Q737 WeakPolarHBondContact O-CB 3.4Å; E733-Q737 WeakPolarHBondContact O-CG 3.22Å; E733-Q737 PolarHBondContact O-N 3.45Å; E733-Q737 PolarHBondContact OE1-NE2 3.01Å; Q737-E739 PolarHBondContact O-N 3.23Å |
| 738 | K | 83.9 | Confident | 88.8 | Confident | 145 Ų | 145 | 51.9 Ų | 51.9 | 63% | 0.63 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 30.7 | -173.3 | -56.8 | -176.1 | 177.5 | -174.7 | 0 | 113.6 | M663 C734 D736 | M663-K738 VanDerWaalsContact SD-C 3.59Å; C734-K738 WeakPolarHBondContact O-CA 3.33Å; C734-K738 PolarHBondContact O-N 2.91Å; D736-K738 VanDerWaalsContact C-N 3.31Å |
| 739 | E | 87.1 | Confident | 88.6 | Confident | 137 Ų | 137 | 53.2 Ų | 53.2 | 64% | 0.64 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -143.3 | 153.9 | 177.9 | -173.6 | 172.5 | -175.6 | 0 | 0 | 109.5 | C734 Q737 V741 | C734-E739 WeakPolarHBondContact CA-O 3.37Å; C734-E739 WeakPolarHBondContact CB-O 3.2Å; C734-E739 PolarHBondContact O-N 3.2Å; Q737-E739 PolarHBondContact O-N 3.23Å; E739-V741 PolarHBondContact O-N 2.87Å |
| 740 | V | 87.1 | Confident | 88.7 | Confident | 54 Ų | 54 | 51.1 Ų | 51.1 | 33% | 0.327 | 25% | 0.254 | S | S | . | . | trans | -78.6 | 103.9 | 176.2 | -173.2 | 0 | 0 | 0 | 0 | 109.5 | M663 F664 W730 | M663-V740 HydrophobicContact CB-CG2 4.28Å; M663-V740 WeakPolarHBondContact O-CG2 2.98Å; F664-V740 HydrophobicContact CD1-CG2 3.93Å; F664-V740 HydrophobicContact CE1-CB 4.46Å; F664-V740 HydrophobicContact CE1-CG1 4.27Å; F664-V740 HydrophobicContact CE1-CG2 3.59Å; W730-V740 HydrophobicContact CZ2-CG1 4.27Å | ||
| 741 | V | 87.4 | Confident | 88.5 | Confident | 15 Ų | 15 | 52.9 Ų | 52.9 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 128.5 | 177.4 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | W730 E733 C734 E739 | W730-V741 PolarHBondContact NE1-O 3.14Å; E733-V741 HydrophobicContact CG-CG2 4.09Å; C734-V741 PolarHBondContact SG-N 3.37Å; C734-V741 VanDerWaalsContact SG-N 3.36Å; E739-V741 PolarHBondContact O-N 2.87Å |
| 742 | P | 85.8 | Confident | 88.4 | Confident | 100 Ų | 100 | 53.1 Ų | 53.1 | 65% | 0.649 | 26% | 0.264 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 141.8 | 175 | -26.2 | 34.8 | 0 | 0 | 0 | 112.3 | Q744 | P742-Q744 PolarHBondContact O-N 2.93Š|
| 743 | W | 90.4 | Very high | 88.2 | Confident | 41 Ų | 41 | 54.7 Ų | 54.7 | 16% | 0.155 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 138.2 | 177.1 | -68.9 | -20.8 | 0 | 0 | 0 | 111.1 | Y703 C704 D724 V726 W730 M748 T755 F759 | Y703-W743 HydrophobicContact CD1-CH2 4.48Å; Y703-W743 HydrophobicContact CD1-CZ2 4.05Å; Y703-W743 AromaticContact CE1-CH2 3.99Å; Y703-W743 HydrophobicContact CE1-CH2 3.99Å; Y703-W743 AromaticContact CE1-CZ2 3.37Å; Y703-W743 HydrophobicContact CE1-CZ2 3.37Å; Y703-W743 HydrophobicContact CE2-CH2 4.17Å; Y703-W743 HydrophobicContact CE2-CZ2 4.33Å; Y703-W743 AromaticContact CZ-CH2 3.81Å; Y703-W743 AromaticContact CZ-CZ2 3.53Å; C704-W743 HydrophobicContact CB-CH2 3.81Å; C704-W743 HydrophobicContact CB-CZ2 3.53Å; D724-W743 HydrophobicContact CB-CH2 4.22Å; D724-W743 HydrophobicContact CB-CZ3 4.22Å; V726-W743 HydrophobicContact CG1-CD2 4.48Å; V726-W743 HydrophobicContact CG1-CZ2 4.26Å; W730-W743 AromaticContact CD1-CD1 3.93Å; W730-W743 AromaticContact CD2-CD1 3.95Å; W730-W743 AromaticContact CD2-NE1 3.72Å; W730-W743 AromaticContact CE2-CD1 3.41Å; W730-W743 VanDerWaalsContact CE2-CD1 3.41Å; W730-W743 AromaticContact CE2-NE1 3.24Å; W730-W743 AromaticContact CH2-NE1 3.62Å; W730-W743 AromaticContact CZ2-CD1 3.75Å; W730-W743 AromaticContact CZ2-NE1 3.18Å; W730-W743 AromaticContact NE1-CD1 3.38Å; W730-W743 AromaticContact NE1-NE1 3.75Å; W743-M748 HydrophobicContact CB-SD 4.3Å; W743-M748 HydrophobicContact CD2-SD 4.26Å; W743-M748 HydrophobicContact CE3-CE 4.41Å; W743-M748 HydrophobicContact CE3-SD 4.41Å; W743-M748 HydrophobicContact CG-SD 4.23Å; W743-T755 HydrophobicContact CE3-CG2 4.32Å; W743-T755 HydrophobicContact CZ3-CG2 4.45Å; W743-F759 HydrophobicContact CB-CE2 4.35Å; W743-F759 HydrophobicContact CB-CZ 3.69Å; W743-F759 WeakPolarHBondContact O-CZ 3.44Å |
| 744 | Q | 85.3 | Confident | 88 | Confident | 53 Ų | 53 | 56.2 Ų | 56.2 | 25% | 0.248 | 29% | 0.292 | C | S | . | . | trans | -125.8 | 159.4 | 173.3 | -67.6 | -176.2 | -2.1 | 0 | 0 | 108.4 | P742 R746 H747 | P742-Q744 PolarHBondContact O-N 2.93Å; Q744-R746 HydrophobicContact CB-CG 4.14Å; Q744-R746 PolarHBondContact O-N 2.63Å; Q744-R746 VanDerWaalsContact OE1-CZ 3.25Å; Q744-R746 VanDerWaalsContact OE1-NE 3.15Å; Q744-H747 PolarHBondContact N-ND1 2.96Å; Q744-H747 WeakPolarHBondContact O-CB 3.41Å; Q744-H747 PolarHBondContact O-N 2.82Å | ||
| 745 | P | 84.1 | Confident | 87.9 | Confident | 20 Ų | 20 | 57.1 Ų | 57.1 | 13% | 0.13 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -54 | -32.9 | -177.3 | -27.8 | 32.6 | 0 | 0 | 0 | 112.8 | H747 M748 M751 F759 Y763 | P745-H747 PolarHBondContact O-N 3.22Å; P745-M748 PolarHBondContact O-N 3.04Å; P745-M751 HydrophobicContact CB-CE 4.41Å; P745-F759 HydrophobicContact CG-CD1 3.92Å; P745-F759 HydrophobicContact CG-CE1 4.05Å; P745-Y763 HydrophobicContact CG-CD1 3.57Å; P745-Y763 HydrophobicContact CG-CD2 3.92Å; P745-Y763 HydrophobicContact CG-CE1 4.03Å; P745-Y763 HydrophobicContact CG-CE2 4.35Å; P745-Y763 HydrophobicContact CG-CG 3.51Å |
| 746 | R | 83.6 | Confident | 87.9 | Confident | 73 Ų | 73 | 61 Ų | 61 | 28% | 0.275 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -63.9 | -24 | 176.6 | 76.4 | -175.6 | -173.5 | -169.7 | -2.6 | 114.8 | E733 Q744 M748 | E733-R746 IonicContact OE1-NH2 3.6Å; E733-R746 IonicContact OE2-NH2 3.69Å; Q744-R746 HydrophobicContact CB-CG 4.14Å; Q744-R746 PolarHBondContact O-N 2.63Å; Q744-R746 VanDerWaalsContact OE1-CZ 3.25Å; Q744-R746 VanDerWaalsContact OE1-NE 3.15Å; R746-M748 VanDerWaalsContact C-N 3.34Å |
| 747 | H | 89.9 | Confident | 87.8 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.019 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -83.3 | -12.8 | 179.6 | -58.2 | 148.8 | 0 | 0 | 0 | 112.3 | V726 W727 W730 E733 Q744 P745 | V726-H747 CarbonylContact C-O 3.5Å; V726-H747 VanDerWaalsContact CA-O 3.25Å; V726-H747 WeakPolarHBondContact CA-O 3.38Å; V726-H747 WeakPolarHBondContact CB-O 3.25Å; W727-H747 PolarHBondContact N-O 3.47Å; W730-H747 HydrophobicContact CB-CB 3.9Å; W730-H747 AromaticContact CD1-CG 3.8Å; W730-H747 AromaticContact CD1-ND1 3.54Å; W730-H747 HydrophobicContact CG-CB 4.18Å; E733-H747 IonicContact OE2-CE1 3.95Å; E733-H747 IonicContact OE2-NE2 3.25Å; E733-H747 PolarHBondContact OE2-NE2 2.95Å; Q744-H747 PolarHBondContact N-ND1 2.96Å; Q744-H747 WeakPolarHBondContact O-CB 3.41Å; Q744-H747 PolarHBondContact O-N 2.82Å; P745-H747 PolarHBondContact O-N 3.22Å |
| 748 | M | 89.9 | Confident | 87.8 | Confident | 18 Ų | 18 | 60.5 Ų | 60.5 | 9% | 0.089 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 131.7 | -170.6 | -54.2 | -56.6 | -72 | 0 | 0 | 112 | D724 V726 W743 P745 R746 M751 T755 F759 | D724-M748 HydrophobicContact CB-CE 3.97Å; V726-M748 HydrophobicContact CG1-CE 4.1Å; V726-M748 HydrophobicContact CG1-SD 3.64Å; W743-M748 HydrophobicContact CB-SD 4.3Å; W743-M748 HydrophobicContact CD2-SD 4.26Å; W743-M748 HydrophobicContact CE3-CE 4.41Å; W743-M748 HydrophobicContact CE3-SD 4.41Å; W743-M748 HydrophobicContact CG-SD 4.23Å; P745-M748 PolarHBondContact O-N 3.04Å; R746-M748 VanDerWaalsContact C-N 3.34Å; M748-M751 HydrophobicContact CB-CE 3.79Å; M748-M751 HydrophobicContact CB-CG 4.01Å; M748-M751 HydrophobicContact CE-CG 3.81Å; M748-M751 HydrophobicContact CG-CE 3.57Å; M748-M751 HydrophobicContact CG-CG 3.98Å; M748-T755 HydrophobicContact CE-CG2 4.16Å; M748-F759 HydrophobicContact CG-CE1 4.38Å |
| 749 | I | 89.6 | Confident | 87.9 | Confident | 28 Ų | 28 | 54.4 Ų | 54.4 | 14% | 0.144 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -41.3 | 163.5 | -57.8 | 174.2 | 0 | 0 | 0 | 109.1 | A707 E710 V714 I718 V725 W727 | A707-I749 HydrophobicContact CB-CD1 3.8Å; E710-I749 HydrophobicContact CG-CG2 3.71Å; V714-I749 HydrophobicContact CG1-CG2 4.27Å; I718-I749 HydrophobicContact CD1-CG2 3.81Å; V725-I749 HydrophobicContact CB-CB 4.22Å; V725-I749 HydrophobicContact CG1-CB 4.08Å; V725-I749 HydrophobicContact CG1-CD1 4.02Å; V725-I749 WeakPolarHBondContact O-CB 3.42Å; V725-I749 PolarHBondContact O-N 2.98Å; W727-I749 HydrophobicContact CD2-CD1 3.63Å; W727-I749 HydrophobicContact CD2-CG1 3.39Å; W727-I749 HydrophobicContact CE3-CD1 3.51Å; W727-I749 HydrophobicContact CE3-CG1 3.83Å; W727-I749 HydrophobicContact CG-CD1 4.2Å; W727-I749 HydrophobicContact CG-CG1 3.75Å; W727-I749 HydrophobicContact CH2-CD1 4.1Å; W727-I749 HydrophobicContact CH2-CG1 4.11Å; W727-I749 HydrophobicContact CZ2-CD1 4.22Å; W727-I749 HydrophobicContact CZ2-CG1 3.71Å; W727-I749 HydrophobicContact CZ3-CD1 3.76Å; W727-I749 HydrophobicContact CZ3-CG1 4.16Å |
| 750 | H | 91.9 | Very high | 87.8 | Confident | 22 Ų | 22 | 51 Ų | 51 | 10% | 0.102 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 135.6 | 178.3 | 174.2 | 73.8 | 0 | 0 | 0 | 110.7 | I718 N721 H723 V725 | I718-H750 HydrophobicContact CB-CB 4.42Å; I718-H750 HydrophobicContact CD1-CB 4.06Å; I718-H750 HydrophobicContact CG1-CB 3.64Å; I718-H750 HydrophobicContact CG2-CB 4.24Å; N721-H750 PolarHBondContact OD1-CE1 2.87Å; N721-H750 PolarHBondContact OD1-NE2 3.18Å; H723-H750 PolarHBondContact O-CD2 3.25Å; V725-H750 HydrophobicContact CB-CB 4.1Å; V725-H750 HydrophobicContact CG2-CB 4.13Å; V725-H750 PolarHBondContact N-O 3.28Å; V725-H750 PolarHBondContact O-N 3.48Å |
| 751 | M | 91 | Very high | 87.8 | Confident | 37 Ų | 37 | 55.3 Ų | 55.3 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | trans | -104.1 | 130.1 | 175.8 | -60.2 | 169 | -175.4 | 0 | 0 | 110.2 | D724 P745 M748 T755 R756 F759 | D724-M751 WeakPolarHBondContact OD1-CA 3.4Å; P745-M751 HydrophobicContact CB-CE 4.41Å; M748-M751 HydrophobicContact CB-CE 3.79Å; M748-M751 HydrophobicContact CB-CG 4.01Å; M748-M751 HydrophobicContact CE-CG 3.81Å; M748-M751 HydrophobicContact CG-CE 3.57Å; M748-M751 HydrophobicContact CG-CG 3.98Å; M751-T755 HydrophobicContact CB-CG2 4.46Å; M751-T755 HydrophobicContact CG-CG2 4.44Å; M751-R756 HydrophobicContact CB-CB 4.01Å; M751-R756 PolarHBondContact O-NH2 3.36Å; M751-F759 HydrophobicContact CE-CB 4.43Å; M751-F759 HydrophobicContact CE-CD1 3.45Å; M751-F759 VanDerWaalsContact CE-CD1 3.45Å; M751-F759 HydrophobicContact CE-CE1 3.9Å; M751-F759 HydrophobicContact CE-CG 4.05Å; M751-F759 HydrophobicContact SD-CB 4.2Å; M751-F759 HydrophobicContact SD-CD1 4.2Å; M751-F759 HydrophobicContact SD-CG 4.19Å | ||
| 752 | S | 89.8 | Confident | 87.6 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 3% | 0.028 | 30% | 0.298 | C | S | . | . | trans | -59.9 | 160.9 | 166.3 | 73.4 | 0 | 0 | 0 | 0 | 110.6 | D724 S754 T755 R756 | D724-S752 PolarHBondContact OD1-N 3.24Å; D724-S752 PolarHBondContact OD1-OG 3.22Å; D724-S752 PolarHBondContact OD2-OG 3.17Å; S752-S754 VanDerWaalsContact C-N 3.31Å; S752-S754 PolarHBondContact O-N 3.34Å; S752-S754 PolarHBondContact OG-OG 2.96Å; S752-T755 PolarHBondContact O-N 2.99Å; S752-T755 PolarHBondContact OG-OG1 3.48Å; S752-R756 WeakPolarHBondContact O-CB 3.15Å; S752-R756 PolarHBondContact O-N 3.04Å | ||
| 753 | P | 88.4 | Confident | 87.6 | Confident | 60 Ų | 60 | 55.3 Ų | 55.3 | 39% | 0.39 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -53.3 | -44 | -178.8 | -29 | 36.1 | 0 | 0 | 0 | 114.2 | N721 R756 E757 | N721-P753 WeakPolarHBondContact ND2-CG 3.48Å; N721-P753 WeakPolarHBondContact O-CD 3.44Å; P753-R756 PolarHBondContact O-N 3.25Å; P753-E757 WeakPolarHBondContact O-CG 3.33Å; P753-E757 PolarHBondContact O-N 3.32Å |
| 754 | S | 88.1 | Confident | 87.3 | Confident | 82 Ų | 82 | 55.7 Ų | 55.7 | 57% | 0.573 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -66.6 | -44.2 | -179.7 | 45.4 | 0 | 0 | 0 | 0 | 112.5 | S752 R756 E757 H758 | S752-S754 VanDerWaalsContact C-N 3.31Å; S752-S754 PolarHBondContact O-N 3.34Å; S752-S754 PolarHBondContact OG-OG 2.96Å; S754-R756 VanDerWaalsContact C-N 3.33Å; S754-E757 PolarHBondContact O-N 3.47Å; S754-H758 PolarHBondContact O-N 3.32Å |
| 755 | T | 87.4 | Confident | 86.9 | Confident | 19 Ų | 19 | 58.2 Ų | 58.2 | 12% | 0.117 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.3 | -37.5 | 180 | -57.5 | 0 | 0 | 0 | 0 | 110.7 | D724 W743 M748 M751 S752 H758 F759 | D724-T755 VanDerWaalsContact CG-OG1 3.22Å; D724-T755 WeakPolarHBondContact OD1-CB 3.31Å; D724-T755 WeakPolarHBondContact OD1-CG2 3.45Å; D724-T755 PolarHBondContact OD1-OG1 2.9Å; D724-T755 PolarHBondContact OD2-OG1 2.72Å; W743-T755 HydrophobicContact CE3-CG2 4.32Å; W743-T755 HydrophobicContact CZ3-CG2 4.45Å; M748-T755 HydrophobicContact CE-CG2 4.16Å; M751-T755 HydrophobicContact CB-CG2 4.46Å; M751-T755 HydrophobicContact CG-CG2 4.44Å; S752-T755 PolarHBondContact O-N 2.99Å; S752-T755 PolarHBondContact OG-OG1 3.48Å; T755-H758 PolarHBondContact O-N 2.79Å; T755-F759 HydrophobicContact CG2-CD2 3.86Å; T755-F759 HydrophobicContact CG2-CE2 3.83Å; T755-F759 WeakPolarHBondContact O-CB 3.46Å; T755-F759 VanDerWaalsContact O-CD2 3.24Å; T755-F759 WeakPolarHBondContact O-CD2 3.41Å; T755-F759 PolarHBondContact O-N 3.04Å |
| 756 | R | 89.4 | Confident | 86.7 | Confident | 121 Ų | 121 | 62.1 Ų | 62.1 | 46% | 0.457 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 174.2 | -167.3 | -176.1 | -51.7 | 170.8 | 9.9 | 112.4 | N721 M751 S752 P753 S754 H758 F759 A760 | N721-R756 PolarHBondContact OD1-NH2 3.47Å; M751-R756 HydrophobicContact CB-CB 4.01Å; M751-R756 PolarHBondContact O-NH2 3.36Å; S752-R756 WeakPolarHBondContact O-CB 3.15Å; S752-R756 PolarHBondContact O-N 3.04Å; P753-R756 PolarHBondContact O-N 3.25Å; S754-R756 VanDerWaalsContact C-N 3.33Å; R756-H758 VanDerWaalsContact C-N 3.31Å; R756-H758 PolarHBondContact O-N 2.78Å; R756-F759 PolarHBondContact O-N 3.49Å; R756-A760 VanDerWaalsContact O-CB 3.32Å; R756-A760 WeakPolarHBondContact O-CB 3.49Å; R756-A760 PolarHBondContact O-N 3.5Å |
| 757 | E | 87 | Confident | 86.5 | Confident | 139 Ų | 139 | 59.3 Ų | 59.3 | 65% | 0.65 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64.6 | -35.3 | 175.5 | -78.6 | 178.3 | -168 | 0 | 0 | 112.5 | P753 S754 | P753-E757 WeakPolarHBondContact O-CG 3.33Å; P753-E757 PolarHBondContact O-N 3.32Å; S754-E757 PolarHBondContact O-N 3.47Å |
| 758 | H | 86.1 | Confident | 86.2 | Confident | 98 Ų | 98 | 61.4 Ų | 61.4 | 45% | 0.454 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.7 | -48.9 | 175.4 | -178.2 | 35.3 | 0 | 0 | 0 | 111.4 | S754 T755 R756 A760 K761 E762 | S754-H758 PolarHBondContact O-N 3.32Å; T755-H758 PolarHBondContact O-N 2.79Å; R756-H758 VanDerWaalsContact C-N 3.31Å; R756-H758 PolarHBondContact O-N 2.78Å; H758-A760 VanDerWaalsContact C-N 3.31Å; H758-A760 PolarHBondContact O-N 3.04Å; H758-K761 WeakPolarHBondContact O-CB 3.31Å; H758-K761 PolarHBondContact O-N 3.35Å; H758-K761 VanDerWaalsContact O-N 3.13Å; H758-E762 IonicContact CE1-OE1 2.73Å; H758-E762 PolarHBondContact CE1-OE1 2.97Å; H758-E762 VanDerWaalsContact CE1-OE1 3.25Å; H758-E762 IonicContact ND1-OE1 3.44Å |
| 759 | F | 86.6 | Confident | 85.9 | Confident | 18 Ų | 18 | 61.7 Ų | 61.7 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 179.5 | -88.9 | -121.1 | 0 | 0 | 0 | 112.5 | W743 P745 M748 M751 T755 R756 K761 E762 Y763 | W743-F759 HydrophobicContact CB-CE2 4.35Å; W743-F759 HydrophobicContact CB-CZ 3.69Å; W743-F759 WeakPolarHBondContact O-CZ 3.44Å; P745-F759 HydrophobicContact CG-CD1 3.92Å; P745-F759 HydrophobicContact CG-CE1 4.05Å; M748-F759 HydrophobicContact CG-CE1 4.38Å; M751-F759 HydrophobicContact CE-CB 4.43Å; M751-F759 HydrophobicContact CE-CD1 3.45Å; M751-F759 VanDerWaalsContact CE-CD1 3.45Å; M751-F759 HydrophobicContact CE-CE1 3.9Å; M751-F759 HydrophobicContact CE-CG 4.05Å; M751-F759 HydrophobicContact SD-CB 4.2Å; M751-F759 HydrophobicContact SD-CD1 4.2Å; M751-F759 HydrophobicContact SD-CG 4.19Å; T755-F759 HydrophobicContact CG2-CD2 3.86Å; T755-F759 HydrophobicContact CG2-CE2 3.83Å; T755-F759 WeakPolarHBondContact O-CB 3.46Å; T755-F759 VanDerWaalsContact O-CD2 3.24Å; T755-F759 WeakPolarHBondContact O-CD2 3.41Å; T755-F759 PolarHBondContact O-N 3.04Å; R756-F759 PolarHBondContact O-N 3.49Å; F759-K761 PolarHBondContact O-N 3.27Å; F759-E762 PolarHBondContact O-N 3.13Å; F759-Y763 AromaticContact CD1-CD2 3.96Å; F759-Y763 HydrophobicContact CD1-CD2 3.96Å; F759-Y763 HydrophobicContact CD1-CE2 4.3Å; F759-Y763 HydrophobicContact CE1-CD2 4.47Å; F759-Y763 HydrophobicContact CE1-CE2 4.39Å; F759-Y763 HydrophobicContact CG-CD2 4.39Å; F759-Y763 PolarHBondContact O-N 3.38Å |
| 760 | A | 85.8 | Confident | 85.5 | Confident | 64 Ų | 64 | 66.7 Ų | 66.7 | 53% | 0.529 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -12.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R756 H758 | R756-A760 VanDerWaalsContact O-CB 3.32Å; R756-A760 WeakPolarHBondContact O-CB 3.49Å; R756-A760 PolarHBondContact O-N 3.5Å; H758-A760 VanDerWaalsContact C-N 3.31Å; H758-A760 PolarHBondContact O-N 3.04Å |
| 761 | K | 87.1 | Confident | 85 | Confident | 145 Ų | 145 | 73 Ų | 73 | 63% | 0.63 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -24 | 174.1 | -63 | 174.3 | -175.1 | 176 | 0 | 112.8 | H758 F759 F771 | H758-K761 WeakPolarHBondContact O-CB 3.31Å; H758-K761 PolarHBondContact O-N 3.35Å; H758-K761 VanDerWaalsContact O-N 3.13Å; F759-K761 PolarHBondContact O-N 3.27Å; K761-F771 WeakPolarHBondContact O-CE2 3.32Å |
| 762 | E | 83.2 | Confident | 84.5 | Confident | 77 Ų | 77 | 75.8 Ų | 75.8 | 36% | 0.36 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | -24.6 | -170.1 | -65.4 | -178.8 | -163.8 | 0 | 0 | 112.6 | H758 F759 S769 Y770 F771 | H758-E762 IonicContact CE1-OE1 2.73Å; H758-E762 PolarHBondContact CE1-OE1 2.97Å; H758-E762 VanDerWaalsContact CE1-OE1 3.25Å; H758-E762 IonicContact ND1-OE1 3.44Å; F759-E762 PolarHBondContact O-N 3.13Å; E762-S769 WeakPolarHBondContact O-CA 3.39Å; E762-Y770 VanDerWaalsContact C-CD2 3.48Å; E762-Y770 PolarHBondContact O-N 2.78Å; E762-F771 HydrophobicContact CB-CD2 4.47Å; E762-F771 HydrophobicContact CB-CE2 4.46Å; E762-F771 HydrophobicContact CG-CD2 4.46Å; E762-F771 HydrophobicContact CG-CE2 4.25Å |
| 763 | Y | 85.2 | Confident | 84 | Confident | 39 Ų | 39 | 83.2 Ų | 83.2 | 15% | 0.153 | 43% | 0.428 | C | S | . | . | B | Isolated β-bridge | trans | -130 | 148.6 | -178.1 | -57.5 | -87.5 | 0 | 0 | 0 | 111.2 | P745 F759 D768 Y770 | P745-Y763 HydrophobicContact CG-CD1 3.57Å; P745-Y763 HydrophobicContact CG-CD2 3.92Å; P745-Y763 HydrophobicContact CG-CE1 4.03Å; P745-Y763 HydrophobicContact CG-CE2 4.35Å; P745-Y763 HydrophobicContact CG-CG 3.51Å; F759-Y763 AromaticContact CD1-CD2 3.96Å; F759-Y763 HydrophobicContact CD1-CD2 3.96Å; F759-Y763 HydrophobicContact CD1-CE2 4.3Å; F759-Y763 HydrophobicContact CE1-CD2 4.47Å; F759-Y763 HydrophobicContact CE1-CE2 4.39Å; F759-Y763 HydrophobicContact CG-CD2 4.39Å; F759-Y763 PolarHBondContact O-N 3.38Å; Y763-D768 CarbonylContact C-O 3.4Å; Y763-D768 WeakPolarHBondContact CA-O 3.38Å; Y763-Y770 VanDerWaalsContact C-CE2 3.47Å; Y763-Y770 WeakPolarHBondContact O-CE2 3.43Å |
| 764 | D | 83.5 | Confident | 83.5 | Confident | 48 Ų | 48 | 82.7 Ų | 82.7 | 26% | 0.257 | 42% | 0.424 | S | S | . | . | trans | -74.2 | 179.9 | 172.2 | 84.4 | -6.8 | 0 | 0 | 0 | 112.8 | Y766 G767 D768 Y770 | D764-Y766 PolarHBondContact O-N 2.9Å; D764-Y766 VanDerWaalsContact O-N 3.12Å; D764-Y766 WeakPolarHBondContact OD1-CA 3.37Å; D764-Y766 PolarHBondContact OD1-N 3.25Å; D764-G767 PolarHBondContact O-N 3.36Å; D764-G767 PolarHBondContact OD1-N 2.81Å; D764-D768 PolarHBondContact N-O 3.47Å; D764-D768 PolarHBondContact OD1-N 3.07Å; D764-Y770 WeakPolarHBondContact CA-OH 3.24Å; D764-Y770 HydrophobicContact CB-CE1 3.83Å | ||
| 765 | S | 76.9 | Confident | 83.1 | Confident | 106 Ų | 106 | 82.7 Ų | 82.7 | 74% | 0.741 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -13.6 | -178.9 | 52.5 | 0 | 0 | 0 | 0 | 114.7 | ||
| 766 | Y | 81.3 | Confident | 82.8 | Confident | 103 Ų | 103 | 88 Ų | 88 | 40% | 0.404 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -7.1 | -179.1 | -54.4 | -68.2 | 0 | 0 | 0 | 112.1 | D764 R785 I786 | D764-Y766 PolarHBondContact O-N 2.9Å; D764-Y766 VanDerWaalsContact O-N 3.12Å; D764-Y766 WeakPolarHBondContact OD1-CA 3.37Å; D764-Y766 PolarHBondContact OD1-N 3.25Å; Y766-R785 WeakPolarHBondContact O-CD 3.47Å; Y766-R785 PolarHBondContact O-NH1 3.41Å; Y766-I786 HydrophobicContact CD1-CB 4.45Å; Y766-I786 HydrophobicContact CD1-CD1 4.35Å; Y766-I786 HydrophobicContact CD1-CG1 3.65Å; Y766-I786 HydrophobicContact CD2-CD1 4.18Å; Y766-I786 HydrophobicContact CD2-CG1 4.36Å; Y766-I786 HydrophobicContact CE1-CG1 4.07Å; Y766-I786 HydrophobicContact CE1-CG2 4.36Å; Y766-I786 HydrophobicContact CG-CD1 4.06Å; Y766-I786 HydrophobicContact CG-CG1 3.79Å |
| 767 | G | 78.7 | Confident | 82.2 | Confident | 13 Ų | 13 | 88.3 Ų | 88.3 | 13% | 0.134 | 45% | 0.447 | C | S | . | . | S | Bend | trans | 95.1 | 19.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D764 | D764-G767 PolarHBondContact O-N 3.36Å; D764-G767 PolarHBondContact OD1-N 2.81Å |
| 768 | D | 83.1 | Confident | 81.7 | Confident | 49 Ų | 49 | 83.9 Ų | 83.9 | 26% | 0.262 | 43% | 0.427 | S | S | . | . | trans | -83.1 | 141.2 | 169.7 | -166.6 | 20.9 | 0 | 0 | 0 | 110.8 | Y763 D764 T774 V782 | Y763-D768 CarbonylContact C-O 3.4Å; Y763-D768 WeakPolarHBondContact CA-O 3.38Å; D764-D768 PolarHBondContact N-O 3.47Å; D764-D768 PolarHBondContact OD1-N 3.07Å; D768-T774 PolarHBondContact OD1-OG1 2.99Å; D768-V782 HydrophobicContact CB-CG1 4.19Å; D768-V782 HydrophobicContact CB-CG2 4.06Å | ||
| 769 | S | 82.9 | Confident | 81.4 | Confident | 24 Ų | 24 | 82.3 Ų | 82.3 | 17% | 0.168 | 42% | 0.421 | C | S | . | . | B | Isolated β-bridge | trans | -81 | 136.8 | -175.4 | -178.5 | 0 | 0 | 0 | 0 | 111.3 | E762 F771 V772 | E762-S769 WeakPolarHBondContact O-CA 3.39Å; S769-F771 PolarHBondContact O-N 2.86Å; S769-F771 PolarHBondContact OG-N 3.19Å; S769-V772 PolarHBondContact OG-N 3.12Å |
| 770 | Y | 82 | Confident | 81 | Confident | 132 Ų | 132 | 89.4 Ų | 89.4 | 52% | 0.518 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -73.5 | -16.7 | 171.9 | -63.2 | -51.9 | 0 | 0 | 0 | 113.6 | E762 Y763 D764 | E762-Y770 VanDerWaalsContact C-CD2 3.48Å; E762-Y770 PolarHBondContact O-N 2.78Å; Y763-Y770 VanDerWaalsContact C-CE2 3.47Å; Y763-Y770 WeakPolarHBondContact O-CE2 3.43Å; D764-Y770 WeakPolarHBondContact CA-OH 3.24Å; D764-Y770 HydrophobicContact CB-CE1 3.83Å |
| 771 | F | 81.2 | Confident | 80.5 | Confident | 156 Ų | 156 | 89.1 Ų | 89.1 | 68% | 0.684 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -126.2 | -9.1 | -164.1 | -55.6 | -64.8 | 0 | 0 | 0 | 114.6 | K761 E762 S769 | K761-F771 WeakPolarHBondContact O-CE2 3.32Å; E762-F771 HydrophobicContact CB-CD2 4.47Å; E762-F771 HydrophobicContact CB-CE2 4.46Å; E762-F771 HydrophobicContact CG-CD2 4.46Å; E762-F771 HydrophobicContact CG-CE2 4.25Å; S769-F771 PolarHBondContact O-N 2.86Å; S769-F771 PolarHBondContact OG-N 3.19Å |
| 772 | V | 81.1 | Confident | 80.1 | Confident | 95 Ų | 95 | 82.9 Ų | 82.9 | 58% | 0.576 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -125.7 | 132.2 | -174.6 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | S769 T774 | S769-V772 PolarHBondContact OG-N 3.12Å; V772-T774 PolarHBondContact O-N 3.2Å |
| 773 | D | 78.3 | Confident | 79.9 | Confident | 160 Ų | 160 | 85.4 Ų | 85.4 | 86% | 0.856 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 131 | 175.6 | -69.1 | -23.5 | 0 | 0 | 0 | 110.4 | ||
| 774 | T | 78.3 | Confident | 79.5 | Confident | 49 Ų | 49 | 87.7 Ų | 87.7 | 30% | 0.301 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -93.2 | 139.9 | -174.9 | -122.8 | 0 | 0 | 0 | 0 | 109.7 | D768 V772 L779 | D768-T774 PolarHBondContact OD1-OG1 2.99Å; V772-T774 PolarHBondContact O-N 3.2Å; T774-L779 HydrophobicContact CG2-CB 4.43Å; T774-L779 HydrophobicContact CG2-CD1 3.56Å; T774-L779 HydrophobicContact CG2-CD2 4.01Å; T774-L779 HydrophobicContact CG2-CG 3.33Å |
| 775 | D | 80.9 | Confident | 79 | Confident | 81 Ų | 81 | 89.9 Ų | 89.9 | 43% | 0.433 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -94.8 | 171.8 | 175.9 | 70.4 | 42.7 | 0 | 0 | 0 | 113.2 | Q777 Q778 L779 | D775-Q777 PolarHBondContact O-N 3.19Å; D775-Q777 WeakPolarHBondContact OD1-CA 3.24Å; D775-Q777 WeakPolarHBondContact OD1-CB 3.21Å; D775-Q777 PolarHBondContact OD1-N 3.22Å; D775-Q778 PolarHBondContact O-N 2.92Å; D775-Q778 WeakPolarHBondContact OD1-CG 3.18Å; D775-Q778 PolarHBondContact OD1-N 3.4Å; D775-L779 PolarHBondContact O-N 3.24Å |
| 776 | E | 80.1 | Confident | 78.9 | Confident | 130 Ų | 130 | 88.1 Ų | 88.1 | 61% | 0.607 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -58.8 | -34.5 | -178 | -167.9 | -169.6 | 154.6 | 0 | 0 | 112.5 | R780 | E776-R780 VanDerWaalsContact O-CG 3.31Å; E776-R780 WeakPolarHBondContact O-CG 3.47Å; E776-R780 PolarHBondContact O-N 3.05Å; E776-R780 IonicContact OE1-CZ 3.21Å; E776-R780 IonicContact OE1-NE 3.45Å; E776-R780 PolarHBondContact OE1-NE 2.97Å; E776-R780 VanDerWaalsContact OE1-NE 3.17Å; E776-R780 IonicContact OE1-NH2 2.96Å; E776-R780 PolarHBondContact OE1-NH2 3.23Å |
| 777 | Q | 76.9 | Confident | 77.7 | Confident | 129 Ų | 129 | 88.6 Ų | 88.6 | 60% | 0.603 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -72.9 | -43.9 | -179.8 | -176.3 | 178.7 | -17.4 | 0 | 0 | 110.5 | D775 L779 R780 E781 | D775-Q777 PolarHBondContact O-N 3.19Å; D775-Q777 WeakPolarHBondContact OD1-CA 3.24Å; D775-Q777 WeakPolarHBondContact OD1-CB 3.21Å; D775-Q777 PolarHBondContact OD1-N 3.22Å; Q777-L779 VanDerWaalsContact C-N 3.34Å; Q777-L779 PolarHBondContact O-N 3.19Å; Q777-R780 PolarHBondContact O-N 2.93Å; Q777-E781 PolarHBondContact O-N 3.48Å |
| 778 | Q | 75.8 | Confident | 76.4 | Confident | 46 Ų | 46 | 91.5 Ų | 91.5 | 22% | 0.215 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 176.2 | -70.1 | 172.5 | -31.3 | 0 | 0 | 111.6 | D775 R780 E781 V782 | D775-Q778 PolarHBondContact O-N 2.92Å; D775-Q778 WeakPolarHBondContact OD1-CG 3.18Å; D775-Q778 PolarHBondContact OD1-N 3.4Å; Q778-R780 PolarHBondContact O-N 2.95Å; Q778-E781 PolarHBondContact O-N 3.31Å; Q778-V782 WeakPolarHBondContact O-CG2 3.28Å; Q778-V782 PolarHBondContact O-N 3.33Å |
| 779 | L | 79.9 | Confident | 74.8 | Confident | 64 Ų | 64 | 98 Ų | 98 | 34% | 0.335 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 173.3 | -89.4 | 153.7 | 0 | 0 | 0 | 112.8 | T774 D775 Q777 E781 V782 F783 | T774-L779 HydrophobicContact CG2-CB 4.43Å; T774-L779 HydrophobicContact CG2-CD1 3.56Å; T774-L779 HydrophobicContact CG2-CD2 4.01Å; T774-L779 HydrophobicContact CG2-CG 3.33Å; D775-L779 PolarHBondContact O-N 3.24Å; Q777-L779 VanDerWaalsContact C-N 3.34Å; Q777-L779 PolarHBondContact O-N 3.19Å; L779-E781 VanDerWaalsContact C-N 3.26Å; L779-E781 PolarHBondContact O-N 3.21Å; L779-V782 PolarHBondContact O-N 3.18Å; L779-F783 HydrophobicContact CB-CE2 4.38Å; L779-F783 HydrophobicContact CD2-CD2 4.5Å; L779-F783 HydrophobicContact CD2-CE2 3.72Å; L779-F783 HydrophobicContact CD2-CZ 3.79Å; L779-F783 WeakPolarHBondContact O-CB 3.46Å; L779-F783 VanDerWaalsContact O-CD2 3.24Å; L779-F783 WeakPolarHBondContact O-CD2 3.33Å; L779-F783 WeakPolarHBondContact O-CG 3.39Å; L779-F783 PolarHBondContact O-N 2.82Å |
| 780 | R | 79.3 | Confident | 73 | Confident | 168 Ų | 168 | 104.2 Ų | 104.2 | 63% | 0.634 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.5 | -38.3 | 178.2 | -72 | 171.4 | -176.5 | -87.9 | 3.1 | 111.2 | E776 Q777 Q778 S784 | E776-R780 VanDerWaalsContact O-CG 3.31Å; E776-R780 WeakPolarHBondContact O-CG 3.47Å; E776-R780 PolarHBondContact O-N 3.05Å; E776-R780 IonicContact OE1-CZ 3.21Å; E776-R780 IonicContact OE1-NE 3.45Å; E776-R780 PolarHBondContact OE1-NE 2.97Å; E776-R780 VanDerWaalsContact OE1-NE 3.17Å; E776-R780 IonicContact OE1-NH2 2.96Å; E776-R780 PolarHBondContact OE1-NH2 3.23Å; Q777-R780 PolarHBondContact O-N 2.93Å; Q778-R780 PolarHBondContact O-N 2.95Å; R780-S784 WeakPolarHBondContact O-CB 3.4Å; R780-S784 PolarHBondContact O-N 3.06Å; R780-S784 VanDerWaalsContact O-N 3.09Å |
| 781 | E | 74.8 | Confident | 71.3 | Confident | 57 Ų | 57 | 101.9 Ų | 101.9 | 27% | 0.266 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.8 | -47.3 | 175.9 | -72.2 | 179 | -163.5 | 0 | 0 | 112.4 | Q777 Q778 L779 F783 S784 | Q777-E781 PolarHBondContact O-N 3.48Å; Q778-E781 PolarHBondContact O-N 3.31Å; L779-E781 VanDerWaalsContact C-N 3.26Å; L779-E781 PolarHBondContact O-N 3.21Å; E781-F783 PolarHBondContact O-N 2.95Å; E781-S784 PolarHBondContact O-N 2.84Å; E781-S784 PolarHBondContact O-OG 3.04Å |
| 782 | V | 79.4 | Confident | 69.4 | Low | 14 Ų | 14 | 99 Ų | 99 | 9% | 0.085 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -58.6 | -49.2 | 176.9 | 170.8 | 0 | 0 | 0 | 0 | 110.1 | D768 Q778 L779 S784 R785 | D768-V782 HydrophobicContact CB-CG1 4.19Å; D768-V782 HydrophobicContact CB-CG2 4.06Å; Q778-V782 WeakPolarHBondContact O-CG2 3.28Å; Q778-V782 PolarHBondContact O-N 3.33Å; L779-V782 PolarHBondContact O-N 3.18Å; V782-S784 VanDerWaalsContact C-N 3.27Å; V782-S784 PolarHBondContact O-N 2.85Å; V782-R785 WeakPolarHBondContact O-CB 3.17Å; V782-R785 PolarHBondContact O-N 3.26Å |
| 783 | F | 79 | Confident | 67.7 | Low | 131 Ų | 131 | 98.8 Ų | 98.8 | 58% | 0.575 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.3 | -30.4 | 179 | -69.9 | -36.6 | 0 | 0 | 0 | 113.5 | L779 E781 R785 I786 | L779-F783 HydrophobicContact CB-CE2 4.38Å; L779-F783 HydrophobicContact CD2-CD2 4.5Å; L779-F783 HydrophobicContact CD2-CE2 3.72Å; L779-F783 HydrophobicContact CD2-CZ 3.79Å; L779-F783 WeakPolarHBondContact O-CB 3.46Å; L779-F783 VanDerWaalsContact O-CD2 3.24Å; L779-F783 WeakPolarHBondContact O-CD2 3.33Å; L779-F783 WeakPolarHBondContact O-CG 3.39Å; L779-F783 PolarHBondContact O-N 2.82Å; E781-F783 PolarHBondContact O-N 2.95Å; F783-R785 PolarHBondContact O-N 3.33Å; F783-I786 HydrophobicContact CD1-CD1 3.93Å; F783-I786 HydrophobicContact CE1-CD1 4.5Å; F783-I786 PolarHBondContact O-N 3.18Å |
| 784 | S | 76.4 | Confident | 66.1 | Low | 86 Ų | 86 | 94.7 Ų | 94.7 | 60% | 0.601 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.4 | -21.5 | 175.3 | 77.5 | 0 | 0 | 0 | 0 | 113.8 | R780 E781 V782 | R780-S784 WeakPolarHBondContact O-CB 3.4Å; R780-S784 PolarHBondContact O-N 3.06Å; R780-S784 VanDerWaalsContact O-N 3.09Å; E781-S784 PolarHBondContact O-N 2.84Å; E781-S784 PolarHBondContact O-OG 3.04Å; V782-S784 VanDerWaalsContact C-N 3.27Å; V782-S784 PolarHBondContact O-N 2.85Å |
| 785 | R | 71.9 | Confident | 64.5 | Low | 95 Ų | 95 | 97 Ų | 97 | 36% | 0.358 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.8 | -9.7 | 177.8 | -61.6 | 178.7 | -169.5 | 145.8 | 13.6 | 113.3 | Y766 V782 F783 D787 | Y766-R785 WeakPolarHBondContact O-CD 3.47Å; Y766-R785 PolarHBondContact O-NH1 3.41Å; V782-R785 WeakPolarHBondContact O-CB 3.17Å; V782-R785 PolarHBondContact O-N 3.26Å; F783-R785 PolarHBondContact O-N 3.33Å; R785-D787 PolarHBondContact O-N 3.36Å |
| 786 | I | 75.7 | Confident | 63 | Low | 68 Ų | 68 | 97.5 Ų | 97.5 | 35% | 0.349 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -85.4 | 84.3 | 175.2 | -50.8 | -170.4 | 0 | 0 | 0 | 107.6 | Y766 F783 G788 | Y766-I786 HydrophobicContact CD1-CB 4.45Å; Y766-I786 HydrophobicContact CD1-CD1 4.35Å; Y766-I786 HydrophobicContact CD1-CG1 3.65Å; Y766-I786 HydrophobicContact CD2-CD1 4.18Å; Y766-I786 HydrophobicContact CD2-CG1 4.36Å; Y766-I786 HydrophobicContact CE1-CG1 4.07Å; Y766-I786 HydrophobicContact CE1-CG2 4.36Å; Y766-I786 HydrophobicContact CG-CD1 4.06Å; Y766-I786 HydrophobicContact CG-CG1 3.79Å; F783-I786 HydrophobicContact CD1-CD1 3.93Å; F783-I786 HydrophobicContact CE1-CD1 4.5Å; F783-I786 PolarHBondContact O-N 3.18Å; I786-G788 PolarHBondContact O-N 2.85Å |
| 787 | D | 56.9 | Low | 61.6 | Low | 113 Ų | 113 | 94.1 Ų | 94.1 | 60% | 0.604 | 55% | 0.552 | S | S | * | * | trans | -62.8 | 118.3 | 179.4 | -108.5 | -16.7 | 0 | 0 | 0 | 111.2 | R785 E789 Q790 | R785-D787 PolarHBondContact O-N 3.36Å; D787-E789 PolarHBondContact O-N 3.05Å; D787-Q790 PolarHBondContact O-N 2.88Å | ||
| 788 | G | 51.6 | Low | 60.4 | Low | 74 Ų | 74 | 91.1 Ų | 91.1 | 76% | 0.763 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -10.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | I786 | I786-G788 PolarHBondContact O-N 2.85Š|
| 789 | E | 48 | Very low | 59.3 | Low | 185 Ų | 185 | 90.9 Ų | 90.9 | 86% | 0.864 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -16.4 | -178.7 | -71.3 | -169.9 | 159.5 | 0 | 0 | 114.4 | D787 | D787-E789 PolarHBondContact O-N 3.05Š|
| 790 | Q | 45.8 | Very low | 58 | Low | 155 Ų | 155 | 93.8 Ų | 93.8 | 72% | 0.724 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -14.1 | 178.3 | -76.2 | 176.5 | 10.7 | 0 | 0 | 113.9 | D787 A792 A793 | D787-Q790 PolarHBondContact O-N 2.88Å; Q790-A792 PolarHBondContact O-N 3.42Å; Q790-A793 PolarHBondContact O-N 2.88Å |
| 791 | A | 45.6 | Very low | 56.9 | Low | 84 Ų | 84 | 88.3 Ų | 88.3 | 69% | 0.694 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -10.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 792 | A | 42.9 | Very low | 56.1 | Low | 95 Ų | 95 | 87.5 Ų | 87.5 | 79% | 0.785 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -7.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q790 | Q790-A792 PolarHBondContact O-N 3.42Š|
| 793 | A | 45.3 | Very low | 54.9 | Low | 91 Ų | 91 | 94.1 Ų | 94.1 | 75% | 0.752 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -103.6 | 4.9 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q790 | Q790-A793 PolarHBondContact O-N 2.88Š|
| 794 | A | 43.8 | Very low | 53.8 | Low | 73 Ų | 73 | 97.4 Ų | 97.4 | 60% | 0.603 | 59% | 0.587 | S | S | * | * | trans | -156.1 | 80.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | V796 | A794-V796 HydrophobicContact CB-CG2 4.11Å; A794-V796 PolarHBondContact O-N 2.77Å | ||
| 795 | A | 44.4 | Very low | 53 | Low | 99 Ų | 99 | 100.3 Ų | 100.3 | 82% | 0.818 | 59% | 0.586 | S | S | * | * | trans | -64 | 84.2 | 150.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | S797 | A795-S797 VanDerWaalsContact C-N 3.3Å; A795-S797 PolarHBondContact O-N 3.35Å | ||
| 796 | V | 49 | Very low | 52.3 | Low | 91 Ų | 91 | 98.3 Ų | 98.3 | 55% | 0.552 | 60% | 0.595 | S | S | * | * | trans | -60.1 | 102.8 | 168.1 | 175.8 | 0 | 0 | 0 | 0 | 104.7 | A794 A798 V801 | A794-V796 HydrophobicContact CB-CG2 4.11Å; A794-V796 PolarHBondContact O-N 2.77Å; V796-A798 PolarHBondContact O-N 2.9Å; V796-V801 HydrophobicContact CG1-CG2 3.24Å | ||
| 797 | S | 51.1 | Low | 51.6 | Low | 59 Ų | 59 | 100.5 Ų | 100.5 | 41% | 0.413 | 60% | 0.599 | S | S | . | * | trans | -60.5 | 130.5 | 174.2 | 166.9 | 0 | 0 | 0 | 0 | 107.2 | A795 A799 Q800 V801 | A795-S797 VanDerWaalsContact C-N 3.3Å; A795-S797 PolarHBondContact O-N 3.35Å; S797-A799 PolarHBondContact O-N 3.38Å; S797-A799 WeakPolarHBondContact OG-CB 3.46Å; S797-A799 PolarHBondContact OG-N 3.3Å; S797-Q800 WeakPolarHBondContact O-CB 3.45Å; S797-Q800 PolarHBondContact O-N 3.4Å; S797-V801 PolarHBondContact O-N 3.21Å | ||
| 798 | A | 52.2 | Low | 51.4 | Low | 65 Ų | 65 | 100.6 Ų | 100.6 | 54% | 0.537 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -47.3 | -37.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V796 Q800 V801 E802 | V796-A798 PolarHBondContact O-N 2.9Å; A798-Q800 VanDerWaalsContact C-N 3.29Å; A798-Q800 PolarHBondContact O-N 3.47Å; A798-V801 PolarHBondContact O-N 3.03Å; A798-V801 VanDerWaalsContact O-N 3.07Å; A798-E802 WeakPolarHBondContact O-CG 3.45Å; A798-E802 PolarHBondContact O-N 2.97Å |
| 799 | A | 51.4 | Low | 51.8 | Low | 42 Ų | 42 | 105 Ų | 105 | 35% | 0.347 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -56.7 | -36.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S797 E803 | S797-A799 PolarHBondContact O-N 3.38Å; S797-A799 WeakPolarHBondContact OG-CB 3.46Å; S797-A799 PolarHBondContact OG-N 3.3Å; A799-E803 VanDerWaalsContact O-CB 3.32Å; A799-E803 WeakPolarHBondContact O-CB 3.12Å; A799-E803 PolarHBondContact O-N 3.07Å |
| 800 | Q | 53.8 | Low | 52.6 | Low | 124 Ų | 124 | 99.8 Ų | 99.8 | 58% | 0.579 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -75.7 | -27.2 | 179.7 | -70.8 | 177.5 | -22.8 | 0 | 0 | 112.9 | S797 A798 R804 | S797-Q800 WeakPolarHBondContact O-CB 3.45Å; S797-Q800 PolarHBondContact O-N 3.4Å; A798-Q800 VanDerWaalsContact C-N 3.29Å; A798-Q800 PolarHBondContact O-N 3.47Å; Q800-R804 WeakPolarHBondContact O-CB 3.19Å |
| 801 | V | 56.5 | Low | 53.6 | Low | 54 Ų | 54 | 95.6 Ų | 95.6 | 33% | 0.327 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -76.2 | -45.6 | 174.2 | 175.4 | 0 | 0 | 0 | 0 | 109.1 | V796 S797 A798 R804 Y805 | V796-V801 HydrophobicContact CG1-CG2 3.24Å; S797-V801 PolarHBondContact O-N 3.21Å; A798-V801 PolarHBondContact O-N 3.03Å; A798-V801 VanDerWaalsContact O-N 3.07Å; V801-R804 WeakPolarHBondContact O-CB 3.4Å; V801-R804 PolarHBondContact O-N 3.5Å; V801-Y805 HydrophobicContact CG1-CD2 3.95Å; V801-Y805 HydrophobicContact CG1-CE2 3.98Å; V801-Y805 WeakPolarHBondContact O-CD2 3.32Å; V801-Y805 PolarHBondContact O-N 2.84Å |
| 802 | E | 56.8 | Low | 55 | Low | 40 Ų | 40 | 93.9 Ų | 93.9 | 19% | 0.187 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -68.4 | -37.2 | -176.4 | -61.7 | 172.9 | 149.5 | 0 | 0 | 112.7 | A798 R804 Y805 G806 W807 R816 | A798-E802 WeakPolarHBondContact O-CG 3.45Å; A798-E802 PolarHBondContact O-N 2.97Å; E802-R804 VanDerWaalsContact C-N 3.3Å; E802-R804 PolarHBondContact O-N 3.21Å; E802-Y805 PolarHBondContact O-N 3.03Å; E802-G806 PolarHBondContact O-N 3.27Å; E802-G806 VanDerWaalsContact O-N 3.12Å; E802-W807 HydrophobicContact CB-CE3 4.08Å; E802-W807 HydrophobicContact CG-CE3 3.6Å; E802-W807 HydrophobicContact CG-CZ3 3.82Å; E802-W807 PolarHBondContact O-N 3.35Å; E802-R816 VanDerWaalsContact CD-NH2 3.29Å; E802-R816 IonicContact OE2-CZ 2.72Å; E802-R816 IonicContact OE2-NH2 3.66Å; E802-R816 PolarHBondContact OE2-NH2 2.81Å |
| 803 | E | 53.9 | Low | 56.6 | Low | 152 Ų | 152 | 89.7 Ų | 89.7 | 71% | 0.71 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.4 | -36.5 | 172.8 | -176.2 | 177.9 | -162.7 | 0 | 0 | 111.7 | A799 Y805 | A799-E803 VanDerWaalsContact O-CB 3.32Å; A799-E803 WeakPolarHBondContact O-CB 3.12Å; A799-E803 PolarHBondContact O-N 3.07Å; E803-Y805 VanDerWaalsContact C-N 3.29Å; E803-Y805 PolarHBondContact O-N 3.33Å |
| 804 | R | 56.9 | Low | 58.4 | Low | 200 Ų | 200 | 86.5 Ų | 86.5 | 76% | 0.755 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -69.9 | -27 | -179.1 | -169.4 | 174.1 | -172.5 | 176.7 | 0.8 | 113.1 | Q800 V801 E802 | Q800-R804 WeakPolarHBondContact O-CB 3.19Å; V801-R804 WeakPolarHBondContact O-CB 3.4Å; V801-R804 PolarHBondContact O-N 3.5Å; E802-R804 VanDerWaalsContact C-N 3.3Å; E802-R804 PolarHBondContact O-N 3.21Å |
| 805 | Y | 59.6 | Low | 60.5 | Low | 147 Ų | 147 | 83 Ų | 83 | 58% | 0.576 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -108.8 | 5.9 | -177.5 | -63.1 | -68.5 | 0 | 0 | 0 | 114 | V801 E802 E803 W807 | V801-Y805 HydrophobicContact CG1-CD2 3.95Å; V801-Y805 HydrophobicContact CG1-CE2 3.98Å; V801-Y805 WeakPolarHBondContact O-CD2 3.32Å; V801-Y805 PolarHBondContact O-N 2.84Å; E802-Y805 PolarHBondContact O-N 3.03Å; E803-Y805 VanDerWaalsContact C-N 3.29Å; E803-Y805 PolarHBondContact O-N 3.33Å; Y805-W807 VanDerWaalsContact O-CD1 3.31Å |
| 806 | G | 56.6 | Low | 62.4 | Low | 54 Ų | 54 | 80.9 Ų | 80.9 | 56% | 0.557 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 41.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | E802 D808 | E802-G806 PolarHBondContact O-N 3.27Å; E802-G806 VanDerWaalsContact O-N 3.12Å; G806-D808 VanDerWaalsContact C-N 3.29Å; G806-D808 PolarHBondContact O-N 3.12Å |
| 807 | W | 60.5 | Low | 63.9 | Low | 114 Ų | 114 | 81.6 Ų | 81.6 | 43% | 0.432 | 43% | 0.434 | S | S | . | . | trans | -90.5 | 45.8 | -178.3 | -62.3 | -8.6 | 0 | 0 | 0 | 113 | E802 Y805 D809 L810 S813 | E802-W807 HydrophobicContact CB-CE3 4.08Å; E802-W807 HydrophobicContact CG-CE3 3.6Å; E802-W807 HydrophobicContact CG-CZ3 3.82Å; E802-W807 PolarHBondContact O-N 3.35Å; Y805-W807 VanDerWaalsContact O-CD1 3.31Å; W807-D809 VanDerWaalsContact C-N 3.34Å; W807-D809 PolarHBondContact O-N 3.15Å; W807-L810 HydrophobicContact CB-CD1 3.69Å; W807-L810 HydrophobicContact CB-CG 4.17Å; W807-L810 HydrophobicContact CD2-CD1 4.1Å; W807-L810 HydrophobicContact CE3-CD1 4.05Å; W807-L810 HydrophobicContact CG-CD1 3.96Å; W807-S813 PolarHBondContact O-OG 3.28Å; W807-S813 VanDerWaalsContact O-OG 3.14Å | ||
| 808 | D | 54.4 | Low | 65.7 | Low | 115 Ų | 115 | 81.1 Ų | 81.1 | 62% | 0.615 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -20.7 | -173.9 | -68.6 | -34.2 | 0 | 0 | 0 | 113.5 | G806 S813 R816 | G806-D808 VanDerWaalsContact C-N 3.29Å; G806-D808 PolarHBondContact O-N 3.12Å; D808-S813 PolarHBondContact O-OG 3.14Å; D808-R816 IonicContact OD1-NH1 2.92Å; D808-R816 PolarHBondContact OD1-NH1 2.61Å |
| 809 | D | 58.3 | Low | 67.5 | Low | 166 Ų | 166 | 80 Ų | 80 | 89% | 0.888 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 15.7 | -178.1 | -77.6 | -21.6 | 0 | 0 | 0 | 114.4 | W807 | W807-D809 VanDerWaalsContact C-N 3.34Å; W807-D809 PolarHBondContact O-N 3.15Å |
| 810 | L | 65.4 | Low | 69.4 | Low | 75 Ų | 75 | 78 Ų | 78 | 39% | 0.393 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -84 | 140.3 | 176.9 | -68.3 | 179.7 | 0 | 0 | 0 | 111.3 | W807 T812 S813 | W807-L810 HydrophobicContact CB-CD1 3.69Å; W807-L810 HydrophobicContact CB-CG 4.17Å; W807-L810 HydrophobicContact CD2-CD1 4.1Å; W807-L810 HydrophobicContact CE3-CD1 4.05Å; W807-L810 HydrophobicContact CG-CD1 3.96Å; L810-T812 PolarHBondContact O-N 3.19Å; L810-S813 PolarHBondContact N-OG 3.43Å; L810-S813 PolarHBondContact O-N 3.44Å; L810-S813 PolarHBondContact O-OG 2.87Å |
| 811 | P | 67.8 | Low | 71.1 | Confident | 67 Ų | 67 | 74.1 Ų | 74.1 | 44% | 0.435 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -20.8 | 171.7 | -28.1 | 36.1 | 0 | 0 | 0 | 114 | H846 G898 | P811-H846 PolarHBondContact O-ND1 3.28Å; P811-G898 WeakPolarHBondContact CB-O 3.39Å |
| 812 | T | 74.1 | Confident | 72.6 | Confident | 49 Ų | 49 | 72 Ų | 72 | 30% | 0.301 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -0.6 | 176.6 | 54.9 | 0 | 0 | 0 | 0 | 114.2 | L810 Y845 H846 G847 | L810-T812 PolarHBondContact O-N 3.19Å; T812-Y845 HydrophobicContact CG2-CE1 4.37Å; T812-H846 CarbonylContact O-C 3.51Å; T812-H846 WeakPolarHBondContact O-CA 3.5Å; T812-H846 VanDerWaalsContact O-O 3.13Å; T812-G847 PolarHBondContact O-N 2.95Å |
| 813 | S | 75.9 | Confident | 73.5 | Confident | 7 Ų | 7 | 70.6 Ų | 70.6 | 5% | 0.049 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -115.9 | 0.8 | 177.7 | 54.9 | 0 | 0 | 0 | 0 | 114.2 | W807 D808 L810 F815 R816 H846 | W807-S813 PolarHBondContact O-OG 3.28Å; W807-S813 VanDerWaalsContact O-OG 3.14Å; D808-S813 PolarHBondContact O-OG 3.14Å; L810-S813 PolarHBondContact N-OG 3.43Å; L810-S813 PolarHBondContact O-N 3.44Å; L810-S813 PolarHBondContact O-OG 2.87Å; S813-F815 PolarHBondContact O-N 3.5Å; S813-F815 VanDerWaalsContact O-N 3.11Å; S813-R816 WeakPolarHBondContact O-CB 3.26Å; S813-R816 PolarHBondContact O-N 3.11Å; S813-H846 CarbonylContact C-O 3.57Å |
| 814 | M | 83.6 | Confident | 74.3 | Confident | 24 Ų | 24 | 66.1 Ų | 66.1 | 12% | 0.118 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -26.8 | -171.2 | 64.2 | 178.2 | 176.7 | 0 | 0 | 115 | H846 I895 | M814-H846 HydrophobicContact CE-CB 3.97Å; M814-H846 HydrophobicContact CG-CB 4.44Å; M814-I895 HydrophobicContact CE-CB 4.06Å; M814-I895 HydrophobicContact CE-CG1 3.41Å; M814-I895 VanDerWaalsContact CE-CG1 3.41Å |
| 815 | F | 87.3 | Confident | 74.4 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -2.1 | 178.5 | -67.6 | -53.4 | 0 | 0 | 0 | 113.9 | S813 P817 F818 F820 V843 H846 G848 V891 I895 L900 | S813-F815 PolarHBondContact O-N 3.5Å; S813-F815 VanDerWaalsContact O-N 3.11Å; F815-P817 VanDerWaalsContact C-CD 3.42Å; F815-F818 WeakPolarHBondContact O-CB 3.37Å; F815-F818 PolarHBondContact O-N 2.76Å; F815-F820 HydrophobicContact CB-CE2 3.94Å; F815-F820 HydrophobicContact CB-CZ 4.31Å; F815-F820 HydrophobicContact CD1-CE2 4.08Å; F815-F820 AromaticContact CD1-CZ 3.55Å; F815-F820 HydrophobicContact CD1-CZ 3.55Å; F815-F820 HydrophobicContact CE1-CZ 4.09Å; F815-F820 HydrophobicContact CG-CE2 4.2Å; F815-F820 HydrophobicContact CG-CZ 4.09Å; F815-V843 HydrophobicContact CB-CG1 4.34Å; F815-V843 HydrophobicContact CD2-CB 4.46Å; F815-V843 HydrophobicContact CD2-CG1 4.46Å; F815-V843 HydrophobicContact CD2-CG2 4.11Å; F815-V843 HydrophobicContact CE2-CG2 4.13Å; F815-H846 HydrophobicContact CD2-CB 3.62Å; F815-H846 HydrophobicContact CE2-CB 4.15Å; F815-H846 PolarHBondContact N-O 2.99Å; F815-H846 VanDerWaalsContact N-O 3.14Å; F815-G848 VanDerWaalsContact O-CA 3.31Å; F815-G848 WeakPolarHBondContact O-CA 3.37Å; F815-V891 HydrophobicContact CE2-CG1 4.21Å; F815-V891 HydrophobicContact CZ-CG1 4.21Å; F815-I895 HydrophobicContact CE2-CD1 4.22Å; F815-I895 HydrophobicContact CE2-CG1 3.86Å; F815-I895 HydrophobicContact CZ-CG1 4.42Å; F815-L900 HydrophobicContact CD1-CD1 3.39Å; F815-L900 HydrophobicContact CE1-CD1 3.24Å; F815-L900 HydrophobicContact CZ-CD1 4.35Å |
| 816 | R | 84.4 | Confident | 74.1 | Confident | 54 Ų | 54 | 59 Ų | 59 | 20% | 0.204 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -42.5 | -174.7 | -171.9 | -177.4 | -75.8 | 156 | 3.6 | 116.1 | E802 D808 S813 F818 G847 | E802-R816 VanDerWaalsContact CD-NH2 3.29Å; E802-R816 IonicContact OE2-CZ 2.72Å; E802-R816 IonicContact OE2-NH2 3.66Å; E802-R816 PolarHBondContact OE2-NH2 2.81Å; D808-R816 IonicContact OD1-NH1 2.92Å; D808-R816 PolarHBondContact OD1-NH1 2.61Å; S813-R816 WeakPolarHBondContact O-CB 3.26Å; S813-R816 PolarHBondContact O-N 3.11Å; R816-F818 PolarHBondContact O-N 3.18Å; R816-G847 VanDerWaalsContact CA-O 3.26Å; R816-G847 WeakPolarHBondContact CA-O 3.44Å |
| 817 | P | 82.1 | Confident | 73.9 | Confident | 105 Ų | 105 | 62.7 Ų | 62.7 | 68% | 0.682 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -3.5 | -178.9 | 26.1 | -27.7 | 0 | 0 | 0 | 113.4 | F815 | F815-P817 VanDerWaalsContact C-CD 3.42Š|
| 818 | F | 87.5 | Confident | 73.4 | Confident | 50 Ų | 50 | 66.6 Ų | 66.6 | 22% | 0.219 | 36% | 0.356 | C | S | . | . | trans | -110.8 | 138.6 | -173.8 | -55.8 | -70.4 | 0 | 0 | 0 | 111.5 | F815 R816 F820 T849 S859 H860 L900 | F815-F818 WeakPolarHBondContact O-CB 3.37Å; F815-F818 PolarHBondContact O-N 2.76Å; R816-F818 PolarHBondContact O-N 3.18Å; F818-F820 HydrophobicContact CB-CD2 4.09Å; F818-F820 HydrophobicContact CB-CE2 3.35Å; F818-F820 HydrophobicContact CB-CZ 3.8Å; F818-F820 HydrophobicContact CG-CE2 4.42Å; F818-F820 HydrophobicContact CG-CZ 4.49Å; F818-T849 PolarHBondContact O-N 2.85Å; F818-S859 WeakPolarHBondContact CA-OG 3.46Å; F818-S859 WeakPolarHBondContact CB-OG 3.47Å; F818-H860 AromaticContact CD1-CE1 3.52Å; F818-H860 AromaticContact CD1-ND1 3.79Å; F818-H860 AromaticContact CE1-CE1 3.85Å; F818-L900 HydrophobicContact CD2-CD2 4.38Å; F818-L900 HydrophobicContact CE2-CD1 4.29Å; F818-L900 HydrophobicContact CE2-CD2 3.36Å; F818-L900 HydrophobicContact CE2-CG 4.46Å; F818-L900 HydrophobicContact CZ-CD2 3.64Å | ||
| 819 | T | 89.8 | Confident | 73.3 | Confident | 40 Ų | 40 | 64.5 Ų | 64.5 | 25% | 0.245 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 127 | 167.9 | -58.7 | 0 | 0 | 0 | 0 | 109 | T849 A851 V858 S859 H860 | T819-T849 CarbonylContact C-O 3.58Å; T819-T849 VanDerWaalsContact CA-O 3.28Å; T819-T849 WeakPolarHBondContact CA-O 3.5Å; T819-T849 HydrophobicContact CG2-CG2 4.21Å; T819-A851 HydrophobicContact CG2-CB 4.06Å; T819-V858 HydrophobicContact CG2-CG2 4.31Å; T819-S859 PolarHBondContact N-OG 3.31Å; T819-S859 WeakPolarHBondContact O-CA 3.44Å; T819-S859 PolarHBondContact O-N 2.9Å; T819-S859 PolarHBondContact O-OG 3.03Å; T819-H860 PolarHBondContact O-N 2.91Å |
| 820 | F | 91.8 | Very high | 73 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 145.7 | -175 | -65.9 | -102.8 | 0 | 0 | 0 | 110.9 | F815 F818 F822 V843 T849 V850 A851 H860 V862 W890 | F815-F820 HydrophobicContact CB-CE2 3.94Å; F815-F820 HydrophobicContact CB-CZ 4.31Å; F815-F820 HydrophobicContact CD1-CE2 4.08Å; F815-F820 AromaticContact CD1-CZ 3.55Å; F815-F820 HydrophobicContact CD1-CZ 3.55Å; F815-F820 HydrophobicContact CE1-CZ 4.09Å; F815-F820 HydrophobicContact CG-CE2 4.2Å; F815-F820 HydrophobicContact CG-CZ 4.09Å; F818-F820 HydrophobicContact CB-CD2 4.09Å; F818-F820 HydrophobicContact CB-CE2 3.35Å; F818-F820 HydrophobicContact CB-CZ 3.8Å; F818-F820 HydrophobicContact CG-CE2 4.42Å; F818-F820 HydrophobicContact CG-CZ 4.49Å; F820-F822 HydrophobicContact CB-CD2 4.27Å; F820-F822 HydrophobicContact CB-CE2 3.66Å; F820-F822 HydrophobicContact CB-CZ 4.41Å; F820-F822 HydrophobicContact CG-CE2 4.41Å; F820-V843 HydrophobicContact CB-CG1 4.42Å; F820-V843 HydrophobicContact CD2-CG1 3.45Å; F820-V843 VanDerWaalsContact CD2-CG1 3.45Å; F820-V843 HydrophobicContact CE2-CG1 3.71Å; F820-V843 HydrophobicContact CG-CG1 3.93Å; F820-V843 HydrophobicContact CZ-CG1 4.39Å; F820-T849 PolarHBondContact N-O 3.34Å; F820-V850 CarbonylContact O-C 3.55Å; F820-V850 WeakPolarHBondContact O-CA 3.14Å; F820-A851 PolarHBondContact O-N 3.48Å; F820-H860 CarbonylContact C-O 3.55Å; F820-H860 VanDerWaalsContact CA-O 3.3Å; F820-H860 WeakPolarHBondContact CA-O 3.23Å; F820-H860 HydrophobicContact CD1-CB 3.73Å; F820-H860 HydrophobicContact CE1-CB 3.86Å; F820-H860 HydrophobicContact CG-CB 4.5Å; F820-V862 HydrophobicContact CD1-CG2 3.72Å; F820-V862 HydrophobicContact CE1-CG2 4.38Å; F820-W890 HydrophobicContact CE1-CE3 4.35Å; F820-W890 HydrophobicContact CE1-CH2 4.37Å; F820-W890 AromaticContact CE1-CZ3 3.59Å; F820-W890 HydrophobicContact CE1-CZ3 3.59Å; F820-W890 HydrophobicContact CZ-CH2 4.41Å; F820-W890 HydrophobicContact CZ-CZ3 4.05Å |
| 821 | Y | 89.8 | Confident | 72.3 | Confident | 43 Ų | 43 | 63.1 Ų | 63.1 | 17% | 0.169 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 128 | 164.8 | 174.3 | -98 | 0 | 0 | 0 | 108.5 | D823 A853 L854 H860 V861 V862 | Y821-D823 HydrophobicContact CE1-CB 4.1Å; Y821-A853 VanDerWaalsContact CD2-C 3.44Å; Y821-L854 HydrophobicContact CD1-CB 3.88Å; Y821-L854 HydrophobicContact CD1-CD1 4.09Å; Y821-L854 HydrophobicContact CD1-CD2 4.29Å; Y821-L854 HydrophobicContact CD1-CG 4.32Å; Y821-L854 HydrophobicContact CD2-CB 4.2Å; Y821-L854 HydrophobicContact CE1-CB 3.95Å; Y821-L854 HydrophobicContact CE1-CD2 4.42Å; Y821-L854 HydrophobicContact CE2-CB 4.26Å; Y821-L854 HydrophobicContact CG-CB 4.01Å; Y821-L854 HydrophobicContact CG-CD1 4.15Å; Y821-H860 PolarHBondContact N-O 3.27Å; Y821-V861 HydrophobicContact CD1-CG1 4.14Å; Y821-V861 HydrophobicContact CD1-CG2 4.25Å; Y821-V861 CarbonylContact O-C 2.95Å; Y821-V861 VanDerWaalsContact O-CA 3.26Å; Y821-V861 WeakPolarHBondContact O-CA 3.5Å; Y821-V862 PolarHBondContact O-N 2.98Å |
| 822 | F | 87.3 | Confident | 71.7 | Confident | 9 Ų | 9 | 63.6 Ų | 63.6 | 4% | 0.039 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 117.9 | 179.8 | -71.4 | -98.4 | 0 | 0 | 0 | 108.2 | F820 I824 L836 R839 A840 V843 V850 V862 | F820-F822 HydrophobicContact CB-CD2 4.27Å; F820-F822 HydrophobicContact CB-CE2 3.66Å; F820-F822 HydrophobicContact CB-CZ 4.41Å; F820-F822 HydrophobicContact CG-CE2 4.41Å; F822-I824 VanDerWaalsContact C-N 3.28Å; F822-I824 HydrophobicContact CB-CG1 4.49Å; F822-I824 PolarHBondContact O-N 3.23Å; F822-L836 HydrophobicContact CB-CB 4.32Å; F822-L836 HydrophobicContact CD1-CB 4.13Å; F822-L836 HydrophobicContact CD1-CD2 4Å; F822-L836 WeakPolarHBondContact CD1-O 3.43Å; F822-R839 HydrophobicContact CD1-CB 4.27Å; F822-R839 HydrophobicContact CE1-CB 3.56Å; F822-R839 HydrophobicContact CZ-CB 4.3Å; F822-A840 HydrophobicContact CD1-CB 4.32Å; F822-A840 HydrophobicContact CD2-CB 3.67Å; F822-A840 HydrophobicContact CE1-CB 4.46Å; F822-A840 HydrophobicContact CE2-CB 3.81Å; F822-A840 HydrophobicContact CG-CB 3.95Å; F822-A840 HydrophobicContact CZ-CB 4.21Å; F822-V843 HydrophobicContact CE2-CB 4.41Å; F822-V843 HydrophobicContact CE2-CG2 4.39Å; F822-V843 HydrophobicContact CZ-CB 4.17Å; F822-V843 HydrophobicContact CZ-CG2 3.74Å; F822-V850 HydrophobicContact CD2-CG1 3.75Å; F822-V850 HydrophobicContact CD2-CG2 4.36Å; F822-V850 HydrophobicContact CE2-CG1 4.11Å; F822-V850 HydrophobicContact CE2-CG2 3.86Å; F822-V862 HydrophobicContact CD1-CB 3.67Å; F822-V862 HydrophobicContact CD1-CG1 3.96Å; F822-V862 HydrophobicContact CD1-CG2 4.28Å; F822-V862 HydrophobicContact CE1-CB 3.64Å; F822-V862 HydrophobicContact CE1-CG1 3.72Å; F822-V862 HydrophobicContact CE1-CG2 3.84Å; F822-V862 HydrophobicContact CG-CB 4.31Å; F822-V862 HydrophobicContact CZ-CB 4.28Å; F822-V862 HydrophobicContact CZ-CG2 4Å |
| 823 | D | 77.2 | Confident | 70.9 | Confident | 12 Ų | 12 | 64.9 Ų | 64.9 | 6% | 0.064 | 39% | 0.394 | C | S | . | . | trans | -82 | 73.6 | -174.1 | -165.6 | 50.1 | 0 | 0 | 0 | 111.4 | Y821 L825 V861 V862 V863 R868 L872 | Y821-D823 HydrophobicContact CE1-CB 4.1Å; D823-L825 PolarHBondContact O-N 3.3Å; D823-V861 HydrophobicContact CB-CG1 4.42Å; D823-V862 PolarHBondContact N-O 3.39Å; D823-V862 VanDerWaalsContact N-O 3.12Å; D823-V863 HydrophobicContact CB-CG1 4.16Å; D823-R868 IonicContact OD1-CZ 2.64Å; D823-R868 IonicContact OD1-NH1 2.65Å; D823-R868 PolarHBondContact OD1-NH1 3.27Å; D823-R868 IonicContact OD2-CZ 3.41Å; D823-R868 IonicContact OD2-NE 2.99Å; D823-R868 IonicContact OD2-NH1 2.93Å; D823-R868 PolarHBondContact OD2-NH1 3.41Å; D823-L872 HydrophobicContact CB-CD1 4.3Å | ||
| 824 | I | 70.5 | Confident | 70.7 | Confident | 57 Ų | 57 | 66.4 Ų | 66.4 | 29% | 0.292 | 40% | 0.403 | S | S | . | . | trans | -74.8 | 118.9 | 176.9 | -57 | 164 | 0 | 0 | 0 | 108.3 | F822 D826 L836 D837 | F822-I824 VanDerWaalsContact C-N 3.28Å; F822-I824 HydrophobicContact CB-CG1 4.49Å; F822-I824 PolarHBondContact O-N 3.23Å; I824-D826 PolarHBondContact O-N 2.9Å; I824-L836 HydrophobicContact CG1-CB 4.01Å; I824-L836 HydrophobicContact CG1-CD1 4.48Å; I824-D837 WeakPolarHBondContact CD1-OD1 3.4Å | ||
| 825 | L | 58 | Low | 70.3 | Confident | 104 Ų | 104 | 67.2 Ų | 67.2 | 55% | 0.545 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -64.3 | 112.7 | 178.7 | -98.2 | 129.1 | 0 | 0 | 0 | 110.8 | D823 R868 | D823-L825 PolarHBondContact O-N 3.3Å; L825-R868 HydrophobicContact CD2-CG 4.45Å |
| 826 | D | 54.2 | Low | 70.1 | Confident | 95 Ų | 95 | 67.5 Ų | 67.5 | 51% | 0.508 | 41% | 0.412 | S | S | . | . | trans | 65.3 | 102.6 | 174 | -157.2 | -5.9 | 0 | 0 | 0 | 116.9 | I824 K828 S829 | I824-D826 PolarHBondContact O-N 2.9Å; D826-K828 PolarHBondContact O-N 3.25Å; D826-K828 PolarHBondContact OD1-N 3.22Å; D826-K828 VanDerWaalsContact OD1-N 3.14Å; D826-S829 PolarHBondContact O-N 2.82Å; D826-S829 PolarHBondContact O-OG 3.34Å | ||
| 827 | P | 51.3 | Low | 69.9 | Low | 131 Ų | 131 | 67.4 Ų | 67.4 | 85% | 0.851 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -6.1 | 176.5 | -17.4 | 29.9 | 0 | 0 | 0 | 114.9 | ||
| 828 | K | 50.7 | Low | 69.9 | Low | 196 Ų | 196 | 65.9 Ų | 65.9 | 85% | 0.852 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -11.7 | -175.3 | -68.9 | -174.9 | 178.6 | 179.5 | 0 | 115 | D826 | D826-K828 PolarHBondContact O-N 3.25Å; D826-K828 PolarHBondContact OD1-N 3.22Å; D826-K828 VanDerWaalsContact OD1-N 3.14Å |
| 829 | S | 52.3 | Low | 70 | Confident | 71 Ų | 71 | 65.7 Ų | 65.7 | 50% | 0.497 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -96.3 | 92.7 | 168.6 | 50.9 | 0 | 0 | 0 | 0 | 109.4 | D826 T831 | D826-S829 PolarHBondContact O-N 2.82Å; D826-S829 PolarHBondContact O-OG 3.34Å; S829-T831 PolarHBondContact O-N 3.25Å |
| 830 | A | 52.3 | Low | 69.8 | Low | 103 Ų | 103 | 64 Ų | 64 | 85% | 0.851 | 39% | 0.389 | S | S | * | . | trans | -72.7 | 84.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 831 | T | 50.7 | Low | 69.4 | Low | 109 Ų | 109 | 69.5 Ų | 69.5 | 67% | 0.669 | 42% | 0.417 | S | S | * | . | trans | -99.2 | 98.4 | 147.1 | 29.9 | 0 | 0 | 0 | 0 | 107.6 | S829 | S829-T831 PolarHBondContact O-N 3.25Š| ||
| 832 | G | 55.9 | Low | 69.4 | Low | 76 Ų | 76 | 69.7 Ų | 69.7 | 78% | 0.784 | 42% | 0.42 | S | S | * | . | trans | -65.5 | 140.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 833 | A | 57.4 | Low | 69.4 | Low | 76 Ų | 76 | 69.2 Ų | 69.2 | 63% | 0.628 | 42% | 0.418 | S | S | * | . | trans | 79.3 | 54.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 834 | T | 70.3 | Confident | 69.8 | Low | 39 Ų | 39 | 74.4 Ų | 74.4 | 24% | 0.239 | 44% | 0.436 | C | S | . | . | trans | -67.4 | 163.2 | 164 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | L836 D837 I838 | T834-L836 PolarHBondContact O-N 2.89Å; T834-D837 WeakPolarHBondContact CB-OD2 3.48Å; T834-D837 PolarHBondContact N-OD2 3.08Å; T834-D837 WeakPolarHBondContact O-CB 3.49Å; T834-D837 PolarHBondContact O-N 3.35Å; T834-D837 VanDerWaalsContact OG1-CG 3.23Å; T834-D837 PolarHBondContact OG1-N 2.95Å; T834-D837 PolarHBondContact OG1-OD2 3.38Å; T834-I838 PolarHBondContact O-N 3.01Å | ||
| 835 | C | 76.5 | Confident | 70.4 | Confident | 41 Ų | 41 | 79.8 Ų | 79.8 | 28% | 0.277 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -55.2 | -43.3 | 177.4 | -172.6 | 0 | 0 | 0 | 0 | 111 | D837 I838 R839 E864 | C835-D837 VanDerWaalsContact C-N 3.32Å; C835-D837 PolarHBondContact O-N 3.09Å; C835-I838 WeakPolarHBondContact O-CB 3.17Å; C835-I838 PolarHBondContact O-N 3.14Å; C835-I838 VanDerWaalsContact O-N 3.11Å; C835-R839 WeakPolarHBondContact O-CG 3.5Å; C835-R839 PolarHBondContact O-N 3.49Å; C835-E864 WeakPolarHBondContact CB-OE1 3.31Å |
| 836 | L | 81.9 | Confident | 71.7 | Confident | 6 Ų | 6 | 76 Ų | 76 | 3% | 0.031 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65.6 | -29.7 | 177.5 | -64.5 | 179.6 | 0 | 0 | 0 | 113.7 | F822 I824 T834 I838 R839 A840 V862 E864 D888 | F822-L836 HydrophobicContact CB-CB 4.32Å; F822-L836 HydrophobicContact CD1-CB 4.13Å; F822-L836 HydrophobicContact CD1-CD2 4Å; F822-L836 WeakPolarHBondContact CD1-O 3.43Å; I824-L836 HydrophobicContact CG1-CB 4.01Å; I824-L836 HydrophobicContact CG1-CD1 4.48Å; T834-L836 PolarHBondContact O-N 2.89Å; L836-I838 VanDerWaalsContact C-N 3.35Å; L836-R839 PolarHBondContact O-N 2.89Å; L836-A840 VanDerWaalsContact O-CB 3.25Å; L836-A840 WeakPolarHBondContact O-CB 3.39Å; L836-A840 PolarHBondContact O-N 3.49Å; L836-V862 HydrophobicContact CD2-CG1 4.09Å; L836-E864 HydrophobicContact CD1-CB 3.99Å; L836-E864 HydrophobicContact CD2-CB 3.95Å; L836-E864 HydrophobicContact CG-CB 3.86Å; L836-D888 HydrophobicContact CD2-CB 3.78Å |
| 837 | D | 80.3 | Confident | 73 | Confident | 52 Ų | 52 | 72.6 Ų | 72.6 | 28% | 0.278 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 171.3 | -70.6 | -54.8 | 0 | 0 | 0 | 111.2 | I824 T834 C835 A840 L841 | I824-D837 WeakPolarHBondContact CD1-OD1 3.4Å; T834-D837 WeakPolarHBondContact CB-OD2 3.48Å; T834-D837 PolarHBondContact N-OD2 3.08Å; T834-D837 WeakPolarHBondContact O-CB 3.49Å; T834-D837 PolarHBondContact O-N 3.35Å; T834-D837 VanDerWaalsContact OG1-CG 3.23Å; T834-D837 PolarHBondContact OG1-N 2.95Å; T834-D837 PolarHBondContact OG1-OD2 3.38Å; C835-D837 VanDerWaalsContact C-N 3.32Å; C835-D837 PolarHBondContact O-N 3.09Å; D837-A840 PolarHBondContact O-N 3.07Å; D837-L841 WeakPolarHBondContact O-CG 3.28Å; D837-L841 PolarHBondContact O-N 3.19Å |
| 838 | I | 83.3 | Confident | 74.6 | Confident | 74 Ų | 74 | 66.6 Ų | 66.6 | 38% | 0.379 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.9 | -46.5 | 176.9 | -60.8 | 174.4 | 0 | 0 | 0 | 109.6 | T834 C835 L836 A840 L841 E842 | T834-I838 PolarHBondContact O-N 3.01Å; C835-I838 WeakPolarHBondContact O-CB 3.17Å; C835-I838 PolarHBondContact O-N 3.14Å; C835-I838 VanDerWaalsContact O-N 3.11Å; L836-I838 VanDerWaalsContact C-N 3.35Å; I838-A840 VanDerWaalsContact C-N 3.27Å; I838-A840 PolarHBondContact O-N 3.11Å; I838-L841 WeakPolarHBondContact O-CB 3.44Å; I838-L841 PolarHBondContact O-N 2.69Å; I838-L841 VanDerWaalsContact O-N 3.08Å; I838-E842 WeakPolarHBondContact O-CG 3.47Å; I838-E842 PolarHBondContact O-N 2.91Å |
| 839 | R | 88.2 | Confident | 76.5 | Confident | 46 Ų | 46 | 61 Ų | 61 | 17% | 0.174 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62 | -35.6 | 176.9 | -61 | -53.4 | 102.3 | -178.4 | 5.1 | 112 | F822 C835 L836 L841 E842 V843 D888 T892 | F822-R839 HydrophobicContact CD1-CB 4.27Å; F822-R839 HydrophobicContact CE1-CB 3.56Å; F822-R839 HydrophobicContact CZ-CB 4.3Å; C835-R839 WeakPolarHBondContact O-CG 3.5Å; C835-R839 PolarHBondContact O-N 3.49Å; L836-R839 PolarHBondContact O-N 2.89Å; R839-L841 VanDerWaalsContact C-N 3.34Å; R839-E842 WeakPolarHBondContact CD-OE2 3.25Å; R839-E842 IonicContact CZ-OE1 2.94Å; R839-E842 IonicContact CZ-OE2 3.77Å; R839-E842 IonicContact NE-OE1 2.77Å; R839-E842 IonicContact NE-OE2 3.66Å; R839-E842 PolarHBondContact NE-OE2 2.8Å; R839-E842 IonicContact NH1-OE1 3.86Å; R839-E842 PolarHBondContact NH1-OE1 3.32Å; R839-E842 IonicContact NH1-OE2 3.94Å; R839-E842 PolarHBondContact NH1-OE2 3.23Å; R839-E842 IonicContact NH2-OE1 3.94Å; R839-E842 PolarHBondContact NH2-OE1 2.98Å; R839-E842 IonicContact NH2-OE2 3.06Å; R839-E842 PolarHBondContact O-N 2.93Å; R839-V843 WeakPolarHBondContact O-CG2 3.47Å; R839-V843 PolarHBondContact O-N 2.98Å; R839-D888 HydrophobicContact CG-CB 4.25Å; R839-T892 VanDerWaalsContact CD-CG2 3.44Å |
| 840 | A | 85.7 | Confident | 78.2 | Confident | 5 Ų | 5 | 58.6 Ų | 58.6 | 4% | 0.041 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.7 | -36.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F822 L836 D837 I838 R844 V850 | F822-A840 HydrophobicContact CD1-CB 4.32Å; F822-A840 HydrophobicContact CD2-CB 3.67Å; F822-A840 HydrophobicContact CE1-CB 4.46Å; F822-A840 HydrophobicContact CE2-CB 3.81Å; F822-A840 HydrophobicContact CG-CB 3.95Å; F822-A840 HydrophobicContact CZ-CB 4.21Å; L836-A840 VanDerWaalsContact O-CB 3.25Å; L836-A840 WeakPolarHBondContact O-CB 3.39Å; L836-A840 PolarHBondContact O-N 3.49Å; D837-A840 PolarHBondContact O-N 3.07Å; I838-A840 VanDerWaalsContact C-N 3.27Å; I838-A840 PolarHBondContact O-N 3.11Å; A840-R844 WeakPolarHBondContact O-CG 3.13Å; A840-R844 PolarHBondContact O-N 2.71Å; A840-V850 HydrophobicContact CB-CG1 4.23Å; A840-V850 HydrophobicContact CB-CG2 4.44Å |
| 841 | L | 84.6 | Confident | 79.9 | Confident | 114 Ų | 114 | 54.3 Ų | 54.3 | 60% | 0.597 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -67.8 | -43.2 | 173.3 | -72.3 | 171.3 | 0 | 0 | 0 | 111.4 | D837 I838 R839 R844 Y845 | D837-L841 WeakPolarHBondContact O-CG 3.28Å; D837-L841 PolarHBondContact O-N 3.19Å; I838-L841 WeakPolarHBondContact O-CB 3.44Å; I838-L841 PolarHBondContact O-N 2.69Å; I838-L841 VanDerWaalsContact O-N 3.08Å; R839-L841 VanDerWaalsContact C-N 3.34Å; L841-R844 PolarHBondContact O-N 3Å; L841-Y845 PolarHBondContact O-N 3.14Å |
| 842 | E | 88.2 | Confident | 81.3 | Confident | 47 Ų | 47 | 59 Ų | 59 | 22% | 0.22 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 176.9 | -71.7 | 174.3 | 175.7 | 0 | 0 | 112.3 | I838 R839 R844 Y845 H846 I895 | I838-E842 WeakPolarHBondContact O-CG 3.47Å; I838-E842 PolarHBondContact O-N 2.91Å; R839-E842 WeakPolarHBondContact CD-OE2 3.25Å; R839-E842 IonicContact CZ-OE1 2.94Å; R839-E842 IonicContact CZ-OE2 3.77Å; R839-E842 IonicContact NE-OE1 2.77Å; R839-E842 IonicContact NE-OE2 3.66Å; R839-E842 PolarHBondContact NE-OE2 2.8Å; R839-E842 IonicContact NH1-OE1 3.86Å; R839-E842 PolarHBondContact NH1-OE1 3.32Å; R839-E842 IonicContact NH1-OE2 3.94Å; R839-E842 PolarHBondContact NH1-OE2 3.23Å; R839-E842 IonicContact NH2-OE1 3.94Å; R839-E842 PolarHBondContact NH2-OE1 2.98Å; R839-E842 IonicContact NH2-OE2 3.06Å; R839-E842 PolarHBondContact O-N 2.93Å; E842-R844 VanDerWaalsContact C-N 3.28Å; E842-R844 PolarHBondContact O-N 3.36Å; E842-Y845 WeakPolarHBondContact O-CB 3.46Å; E842-Y845 PolarHBondContact O-N 3.14Å; E842-Y845 VanDerWaalsContact O-N 3.09Å; E842-H846 PolarHBondContact O-CD2 3.12Å; E842-H846 VanDerWaalsContact O-CD2 3.25Å; E842-H846 PolarHBondContact O-N 2.94Å; E842-I895 HydrophobicContact CB-CD1 3.67Å; E842-I895 HydrophobicContact CG-CD1 4.36Å |
| 843 | V | 88.1 | Confident | 82.6 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.1 | -41.6 | 175.3 | 165.3 | 0 | 0 | 0 | 0 | 111.4 | F815 F820 F822 R839 Y845 H846 G847 G848 V850 V891 | F815-V843 HydrophobicContact CB-CG1 4.34Å; F815-V843 HydrophobicContact CD2-CB 4.46Å; F815-V843 HydrophobicContact CD2-CG1 4.46Å; F815-V843 HydrophobicContact CD2-CG2 4.11Å; F815-V843 HydrophobicContact CE2-CG2 4.13Å; F820-V843 HydrophobicContact CB-CG1 4.42Å; F820-V843 HydrophobicContact CD2-CG1 3.45Å; F820-V843 VanDerWaalsContact CD2-CG1 3.45Å; F820-V843 HydrophobicContact CE2-CG1 3.71Å; F820-V843 HydrophobicContact CG-CG1 3.93Å; F820-V843 HydrophobicContact CZ-CG1 4.39Å; F822-V843 HydrophobicContact CE2-CB 4.41Å; F822-V843 HydrophobicContact CE2-CG2 4.39Å; F822-V843 HydrophobicContact CZ-CB 4.17Å; F822-V843 HydrophobicContact CZ-CG2 3.74Å; R839-V843 WeakPolarHBondContact O-CG2 3.47Å; R839-V843 PolarHBondContact O-N 2.98Å; V843-Y845 VanDerWaalsContact C-N 3.35Å; V843-H846 CarbonylContact O-C 3.51Å; V843-H846 PolarHBondContact O-N 3.23Å; V843-G847 PolarHBondContact O-N 2.89Å; V843-G848 WeakPolarHBondContact O-CA 3.35Å; V843-G848 PolarHBondContact O-N 3.4Å; V843-V850 HydrophobicContact CB-CG2 4.34Å; V843-V850 HydrophobicContact CG1-CG2 3.99Å; V843-V891 HydrophobicContact CG2-CB 4.41Å; V843-V891 HydrophobicContact CG2-CG1 3.5Å; V843-V891 HydrophobicContact CG2-CG2 3.96Å |
| 844 | R | 85.9 | Confident | 83.9 | Confident | 120 Ų | 120 | 55.7 Ų | 55.7 | 45% | 0.453 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.5 | -40.2 | 175 | -71.6 | -174.9 | -168.4 | 103.7 | -1.4 | 112 | A840 L841 E842 H846 G847 G848 V850 | A840-R844 WeakPolarHBondContact O-CG 3.13Å; A840-R844 PolarHBondContact O-N 2.71Å; L841-R844 PolarHBondContact O-N 3Å; E842-R844 VanDerWaalsContact C-N 3.28Å; E842-R844 PolarHBondContact O-N 3.36Å; R844-H846 VanDerWaalsContact C-N 3.26Å; R844-H846 PolarHBondContact O-N 2.77Å; R844-G847 PolarHBondContact O-N 3.27Å; R844-G847 VanDerWaalsContact O-N 3.15Å; R844-G848 WeakPolarHBondContact CA-O 3.43Å; R844-V850 HydrophobicContact CG-CB 4.23Å; R844-V850 HydrophobicContact CG-CG2 3.69Å |
| 845 | Y | 83.2 | Confident | 84.7 | Confident | 170 Ų | 170 | 59.4 Ų | 59.4 | 67% | 0.667 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -61.7 | -37 | 176.7 | -174.6 | -98.3 | 0 | 0 | 0 | 111.7 | T812 L841 E842 V843 G847 | T812-Y845 HydrophobicContact CG2-CE1 4.37Å; L841-Y845 PolarHBondContact O-N 3.14Å; E842-Y845 WeakPolarHBondContact O-CB 3.46Å; E842-Y845 PolarHBondContact O-N 3.14Å; E842-Y845 VanDerWaalsContact O-N 3.09Å; V843-Y845 VanDerWaalsContact C-N 3.35Å; Y845-G847 VanDerWaalsContact C-N 3.26Å; Y845-G847 PolarHBondContact O-N 3.07Å |
| 846 | H | 84.4 | Confident | 85 | Confident | 25 Ų | 25 | 62.2 Ų | 62.2 | 12% | 0.116 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 25.3 | 176.1 | -70.4 | -85.6 | 0 | 0 | 0 | 113.7 | P811 T812 S813 M814 F815 E842 V843 R844 G848 I895 | P811-H846 PolarHBondContact O-ND1 3.28Å; T812-H846 CarbonylContact O-C 3.51Å; T812-H846 WeakPolarHBondContact O-CA 3.5Å; T812-H846 VanDerWaalsContact O-O 3.13Å; S813-H846 CarbonylContact C-O 3.57Å; M814-H846 HydrophobicContact CE-CB 3.97Å; M814-H846 HydrophobicContact CG-CB 4.44Å; F815-H846 HydrophobicContact CD2-CB 3.62Å; F815-H846 HydrophobicContact CE2-CB 4.15Å; F815-H846 PolarHBondContact N-O 2.99Å; F815-H846 VanDerWaalsContact N-O 3.14Å; E842-H846 PolarHBondContact O-CD2 3.12Å; E842-H846 VanDerWaalsContact O-CD2 3.25Å; E842-H846 PolarHBondContact O-N 2.94Å; V843-H846 CarbonylContact O-C 3.51Å; V843-H846 PolarHBondContact O-N 3.23Å; R844-H846 VanDerWaalsContact C-N 3.26Å; R844-H846 PolarHBondContact O-N 2.77Å; H846-G848 PolarHBondContact O-N 2.93Å; H846-I895 WeakPolarHBondContact NE2-CG2 3.38Å |
| 847 | G | 81.7 | Confident | 85.1 | Confident | 23 Ų | 23 | 64 Ų | 64 | 24% | 0.237 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | -4.5 | 167 | 0 | 0 | 0 | 0 | 0 | 116 | T812 R816 V843 R844 Y845 | T812-G847 PolarHBondContact O-N 2.95Å; R816-G847 VanDerWaalsContact CA-O 3.26Å; R816-G847 WeakPolarHBondContact CA-O 3.44Å; V843-G847 PolarHBondContact O-N 2.89Å; R844-G847 PolarHBondContact O-N 3.27Å; R844-G847 VanDerWaalsContact O-N 3.15Å; Y845-G847 VanDerWaalsContact C-N 3.26Å; Y845-G847 PolarHBondContact O-N 3.07Å |
| 848 | G | 85.6 | Confident | 85.5 | Confident | 5 Ų | 5 | 61.9 Ų | 61.9 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | trans | -76.2 | 146.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | F815 V843 R844 H846 | F815-G848 VanDerWaalsContact O-CA 3.31Å; F815-G848 WeakPolarHBondContact O-CA 3.37Å; V843-G848 WeakPolarHBondContact O-CA 3.35Å; V843-G848 PolarHBondContact O-N 3.4Å; R844-G848 WeakPolarHBondContact CA-O 3.43Å; H846-G848 PolarHBondContact O-N 2.93Å | ||
| 849 | T | 89.2 | Confident | 85.9 | Confident | 80 Ų | 80 | 59.7 Ų | 59.7 | 49% | 0.491 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 128.4 | 177.8 | -61 | 0 | 0 | 0 | 0 | 110.1 | F818 T819 F820 | F818-T849 PolarHBondContact O-N 2.85Å; T819-T849 CarbonylContact C-O 3.58Å; T819-T849 VanDerWaalsContact CA-O 3.28Å; T819-T849 WeakPolarHBondContact CA-O 3.5Å; T819-T849 HydrophobicContact CG2-CG2 4.21Å; F820-T849 PolarHBondContact N-O 3.34Å |
| 850 | V | 89.6 | Confident | 86.1 | Confident | 20 Ų | 20 | 57.8 Ų | 57.8 | 12% | 0.121 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 112.1 | 176.8 | -179.4 | 0 | 0 | 0 | 0 | 110.6 | F820 F822 A840 V843 R844 | F820-V850 CarbonylContact O-C 3.55Å; F820-V850 WeakPolarHBondContact O-CA 3.14Å; F822-V850 HydrophobicContact CD2-CG1 3.75Å; F822-V850 HydrophobicContact CD2-CG2 4.36Å; F822-V850 HydrophobicContact CE2-CG1 4.11Å; F822-V850 HydrophobicContact CE2-CG2 3.86Å; A840-V850 HydrophobicContact CB-CG1 4.23Å; A840-V850 HydrophobicContact CB-CG2 4.44Å; V843-V850 HydrophobicContact CB-CG2 4.34Å; V843-V850 HydrophobicContact CG1-CG2 3.99Å; R844-V850 HydrophobicContact CG-CB 4.23Å; R844-V850 HydrophobicContact CG-CG2 3.69Å |
| 851 | A | 86.6 | Confident | 86.4 | Confident | 13 Ų | 13 | 57.6 Ų | 57.6 | 11% | 0.107 | 30% | 0.3 | C | S | . | . | trans | -72 | 139.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | T819 F820 A853 V858 | T819-A851 HydrophobicContact CG2-CB 4.06Å; F820-A851 PolarHBondContact O-N 3.48Å; A851-A853 VanDerWaalsContact C-N 3.3Å; A851-A853 WeakPolarHBondContact CB-O 3.39Å; A851-V858 HydrophobicContact CB-CG2 3.97Å | ||
| 852 | K | 81.1 | Confident | 86.6 | Confident | 206 Ų | 206 | 52.1 Ų | 52.1 | 90% | 0.896 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -76.2 | -20.2 | 178.1 | -65.8 | -174.7 | 179.3 | -178.2 | 0 | 112.9 | ||
| 853 | A | 82.6 | Confident | 86.6 | Confident | 53 Ų | 53 | 50.1 Ų | 50.1 | 44% | 0.438 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -144.6 | 155.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y821 A851 E855 | Y821-A853 VanDerWaalsContact CD2-C 3.44Å; A851-A853 VanDerWaalsContact C-N 3.3Å; A851-A853 WeakPolarHBondContact CB-O 3.39Å; A853-E855 PolarHBondContact O-N 3.4Å; A853-E855 VanDerWaalsContact O-N 3.14Å |
| 854 | L | 85.4 | Confident | 86.2 | Confident | 30 Ų | 30 | 54.8 Ų | 54.8 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | trans | -75.9 | 102.3 | 177.6 | -174.6 | 52.7 | 0 | 0 | 0 | 110.3 | Y821 V858 V861 L872 L875 F879 F883 | Y821-L854 HydrophobicContact CD1-CB 3.88Å; Y821-L854 HydrophobicContact CD1-CD1 4.09Å; Y821-L854 HydrophobicContact CD1-CD2 4.29Å; Y821-L854 HydrophobicContact CD1-CG 4.32Å; Y821-L854 HydrophobicContact CD2-CB 4.2Å; Y821-L854 HydrophobicContact CE1-CB 3.95Å; Y821-L854 HydrophobicContact CE1-CD2 4.42Å; Y821-L854 HydrophobicContact CE2-CB 4.26Å; Y821-L854 HydrophobicContact CG-CB 4.01Å; Y821-L854 HydrophobicContact CG-CD1 4.15Å; L854-V858 HydrophobicContact CD1-CB 4.05Å; L854-V858 HydrophobicContact CD1-CG1 3.94Å; L854-V858 HydrophobicContact CD1-CG2 4.14Å; L854-V861 HydrophobicContact CD1-CG2 3.56Å; L854-V861 HydrophobicContact CD2-CG2 4.25Å; L854-L872 HydrophobicContact CD2-CD2 4.01Å; L854-L875 HydrophobicContact CD2-CD2 3.58Å; L854-L875 HydrophobicContact CG-CD2 4.24Å; L854-F879 HydrophobicContact CG-CE2 4.45Å; L854-F879 HydrophobicContact CG-CZ 4.24Å; L854-F883 HydrophobicContact CD1-CD1 4.09Å; L854-F883 HydrophobicContact CD1-CE1 3.91Å; L854-F883 HydrophobicContact CD1-CZ 4.28Å; L854-F883 HydrophobicContact CD2-CE1 4.08Å; L854-F883 HydrophobicContact CD2-CZ 3.85Å; L854-F883 HydrophobicContact CG-CE1 4.24Å; L854-F883 HydrophobicContact CG-CZ 4.49Å | ||
| 855 | E | 85.9 | Confident | 85.7 | Confident | 117 Ų | 117 | 55.1 Ų | 55.1 | 55% | 0.547 | 29% | 0.291 | S | S | . | . | trans | -131 | 171.5 | -173.8 | 67 | -172.3 | 166.6 | 0 | 0 | 113.4 | A853 G857 V858 F879 | A853-E855 PolarHBondContact O-N 3.4Å; A853-E855 VanDerWaalsContact O-N 3.14Å; E855-G857 PolarHBondContact O-N 2.73Å; E855-V858 WeakPolarHBondContact O-CG2 3.4Å; E855-V858 PolarHBondContact O-N 2.92Å; E855-F879 VanDerWaalsContact C-CE1 3.44Å | ||
| 856 | E | 84.1 | Confident | 85.4 | Confident | 101 Ų | 101 | 51.1 Ų | 51.1 | 47% | 0.472 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 123.9 | -176.5 | -170.7 | 76.6 | -141.6 | 0 | 0 | 109.9 | F879 R880 K881 | E856-F879 HydrophobicContact CB-CD1 4.26Å; E856-F879 WeakPolarHBondContact OE2-CD1 3.37Å; E856-R880 WeakPolarHBondContact OE1-CB 3.39Å; E856-R880 PolarHBondContact OE1-N 3.17Å; E856-R880 PolarHBondContact OE2-N 3.21Å; E856-K881 PolarHBondContact OE1-N 2.63Å |
| 857 | G | 83.3 | Confident | 84.8 | Confident | 44 Ų | 44 | 54.3 Ų | 54.3 | 45% | 0.454 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 114.1 | -15.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E855 S859 | E855-G857 PolarHBondContact O-N 2.73Å; G857-S859 PolarHBondContact O-N 3.38Å |
| 858 | V | 89.8 | Confident | 84.4 | Confident | 6 Ų | 6 | 56.8 Ų | 56.8 | 4% | 0.036 | 30% | 0.301 | C | S | . | . | trans | -59.2 | 130.8 | 168.9 | 175.2 | 0 | 0 | 0 | 0 | 109.6 | T819 A851 L854 E855 H860 V861 F883 | T819-V858 HydrophobicContact CG2-CG2 4.31Å; A851-V858 HydrophobicContact CB-CG2 3.97Å; L854-V858 HydrophobicContact CD1-CB 4.05Å; L854-V858 HydrophobicContact CD1-CG1 3.94Å; L854-V858 HydrophobicContact CD1-CG2 4.14Å; E855-V858 WeakPolarHBondContact O-CG2 3.4Å; E855-V858 PolarHBondContact O-N 2.92Å; V858-H860 WeakPolarHBondContact CG1-O 3.36Å; V858-V861 HydrophobicContact CG1-CG2 4.18Å; V858-F883 HydrophobicContact CG1-CB 4.34Å; V858-F883 WeakPolarHBondContact O-CB 3.3Å | ||
| 859 | S | 90.5 | Very high | 84.2 | Confident | 29 Ų | 29 | 57.4 Ų | 57.4 | 20% | 0.203 | 30% | 0.303 | C | S | . | . | trans | -95.2 | -41.2 | -178.5 | 65.3 | 0 | 0 | 0 | 0 | 112.4 | F818 T819 G857 F883 K884 | F818-S859 WeakPolarHBondContact CA-OG 3.46Å; F818-S859 WeakPolarHBondContact CB-OG 3.47Å; T819-S859 PolarHBondContact N-OG 3.31Å; T819-S859 WeakPolarHBondContact O-CA 3.44Å; T819-S859 PolarHBondContact O-N 2.9Å; T819-S859 PolarHBondContact O-OG 3.03Å; G857-S859 PolarHBondContact O-N 3.38Å; S859-F883 CarbonylContact O-C 3.6Å; S859-F883 VanDerWaalsContact O-CA 3.28Å; S859-F883 WeakPolarHBondContact O-CA 3.48Å; S859-K884 PolarHBondContact O-N 3.46Å | ||
| 860 | H | 92.6 | Very high | 83.8 | Confident | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.028 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 134.1 | -177.1 | -63.9 | 83.2 | 0 | 0 | 0 | 110.2 | F818 T819 F820 Y821 V858 K884 V886 W890 D903 | F818-H860 AromaticContact CD1-CE1 3.52Å; F818-H860 AromaticContact CD1-ND1 3.79Å; F818-H860 AromaticContact CE1-CE1 3.85Å; T819-H860 PolarHBondContact O-N 2.91Å; F820-H860 CarbonylContact C-O 3.55Å; F820-H860 VanDerWaalsContact CA-O 3.3Å; F820-H860 WeakPolarHBondContact CA-O 3.23Å; F820-H860 HydrophobicContact CD1-CB 3.73Å; F820-H860 HydrophobicContact CE1-CB 3.86Å; F820-H860 HydrophobicContact CG-CB 4.5Å; Y821-H860 PolarHBondContact N-O 3.27Å; V858-H860 WeakPolarHBondContact CG1-O 3.36Å; H860-K884 CarbonylContact C-O 3.41Å; H860-K884 WeakPolarHBondContact CA-O 3.11Å; H860-V886 HydrophobicContact CB-CG2 4.38Å; H860-W890 HydrophobicContact CB-CZ3 4.36Å; H860-W890 AromaticContact CD2-CH2 3.79Å; H860-W890 AromaticContact CD2-CZ3 3.55Å; H860-W890 AromaticContact CE1-CH2 3.95Å; H860-W890 AromaticContact CG-CZ3 3.81Å; H860-W890 AromaticContact NE2-CH2 3.69Å; H860-W890 AromaticContact NE2-CZ3 3.97Å; H860-D903 IonicContact CD2-OD2 3.89Å; H860-D903 IonicContact NE2-OD2 2.82Å; H860-D903 PolarHBondContact NE2-OD2 3.4Å |
| 861 | V | 91.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 119.1 | 167.6 | 174 | 0 | 0 | 0 | 0 | 107.4 | Y821 D823 L854 V858 V863 L872 F883 K884 I885 V886 | Y821-V861 HydrophobicContact CD1-CG1 4.14Å; Y821-V861 HydrophobicContact CD1-CG2 4.25Å; Y821-V861 CarbonylContact O-C 2.95Å; Y821-V861 VanDerWaalsContact O-CA 3.26Å; Y821-V861 WeakPolarHBondContact O-CA 3.5Å; D823-V861 HydrophobicContact CB-CG1 4.42Å; L854-V861 HydrophobicContact CD1-CG2 3.56Å; L854-V861 HydrophobicContact CD2-CG2 4.25Å; V858-V861 HydrophobicContact CG1-CG2 4.18Å; V861-V863 HydrophobicContact CG1-CG1 4.21Å; V861-L872 HydrophobicContact CG1-CD1 3.99Å; V861-L872 HydrophobicContact CG1-CD2 4.33Å; V861-F883 HydrophobicContact CB-CD2 3.91Å; V861-F883 HydrophobicContact CB-CE2 4.07Å; V861-F883 HydrophobicContact CG2-CB 4.41Å; V861-F883 HydrophobicContact CG2-CD1 4.43Å; V861-F883 HydrophobicContact CG2-CD2 3.28Å; V861-F883 HydrophobicContact CG2-CE2 3.45Å; V861-F883 VanDerWaalsContact CG2-CE2 3.45Å; V861-F883 HydrophobicContact CG2-CG 3.82Å; V861-F883 HydrophobicContact CG2-CZ 4.12Å; V861-K884 PolarHBondContact N-O 3.33Å; V861-I885 HydrophobicContact CB-CG1 4.49Å; V861-I885 WeakPolarHBondContact O-CA 3.09Å; V861-V886 PolarHBondContact O-N 2.72Å |
| 862 | V | 90.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 127.3 | -177.1 | -172.6 | 0 | 0 | 0 | 0 | 108.9 | F820 Y821 F822 D823 L836 V886 D888 V891 | F820-V862 HydrophobicContact CD1-CG2 3.72Å; F820-V862 HydrophobicContact CE1-CG2 4.38Å; Y821-V862 PolarHBondContact O-N 2.98Å; F822-V862 HydrophobicContact CD1-CB 3.67Å; F822-V862 HydrophobicContact CD1-CG1 3.96Å; F822-V862 HydrophobicContact CD1-CG2 4.28Å; F822-V862 HydrophobicContact CE1-CB 3.64Å; F822-V862 HydrophobicContact CE1-CG1 3.72Å; F822-V862 HydrophobicContact CE1-CG2 3.84Å; F822-V862 HydrophobicContact CG-CB 4.31Å; F822-V862 HydrophobicContact CZ-CB 4.28Å; F822-V862 HydrophobicContact CZ-CG2 4Å; D823-V862 PolarHBondContact N-O 3.39Å; D823-V862 VanDerWaalsContact N-O 3.12Å; L836-V862 HydrophobicContact CD2-CG1 4.09Å; V862-V886 WeakPolarHBondContact CA-O 3.41Å; V862-V886 HydrophobicContact CG2-CG2 4.04Å; V862-D888 VanDerWaalsContact CG1-CA 3.44Å; V862-D888 HydrophobicContact CG1-CB 3.78Å; V862-V891 HydrophobicContact CG1-CG2 4.43Å; V862-V891 HydrophobicContact CG2-CG2 4.31Å |
| 863 | V | 87.6 | Confident | 83.6 | Confident | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.03 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 142.2 | -179.1 | -58.9 | 0 | 0 | 0 | 0 | 110.4 | D823 V861 L872 I885 V886 R887 D888 V908 | D823-V863 HydrophobicContact CB-CG1 4.16Å; V861-V863 HydrophobicContact CG1-CG1 4.21Å; V863-L872 HydrophobicContact CG1-CD1 3.65Å; V863-I885 HydrophobicContact CG1-CG2 4.06Å; V863-I885 HydrophobicContact CG2-CG2 4.18Å; V863-V886 PolarHBondContact N-O 3.42Å; V863-R887 WeakPolarHBondContact O-CA 3.45Å; V863-D888 PolarHBondContact O-N 3.09Å; V863-V908 HydrophobicContact CG2-CG2 3.79Å |
| 864 | E | 80.6 | Confident | 83.7 | Confident | 98 Ų | 98 | 60.9 Ų | 60.9 | 46% | 0.458 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -89 | -46.3 | 173.8 | -179.6 | 173.5 | -157.4 | 0 | 0 | 110.2 | C835 L836 | C835-E864 WeakPolarHBondContact CB-OE1 3.31Å; L836-E864 HydrophobicContact CD1-CB 3.99Å; L836-E864 HydrophobicContact CD2-CB 3.95Å; L836-E864 HydrophobicContact CG-CB 3.86Å |
| 865 | E | 74.3 | Confident | 83.6 | Confident | 127 Ų | 127 | 62.4 Ų | 62.4 | 59% | 0.593 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -120.2 | 142 | 176.1 | -60.6 | -173 | 168.3 | 0 | 0 | 111.3 | T867 | E865-T867 HydrophobicContact CB-CG2 4.07Å; E865-T867 PolarHBondContact O-N 3.28Å |
| 866 | E | 76.8 | Confident | 83.6 | Confident | 86 Ų | 86 | 61 Ų | 61 | 40% | 0.402 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -75.4 | 15.2 | -178.5 | -66.7 | 178.9 | -156.7 | 0 | 0 | 113.9 | R868 L869 R887 V908 | E866-R868 VanDerWaalsContact C-N 3.3Å; E866-R868 PolarHBondContact O-N 2.86Å; E866-L869 HydrophobicContact CB-CB 4.25Å; E866-L869 HydrophobicContact CB-CD2 4.19Å; E866-L869 HydrophobicContact CG-CD2 4.29Å; E866-L869 WeakPolarHBondContact O-CB 3.45Å; E866-L869 PolarHBondContact O-N 2.8Å; E866-R887 IonicContact OE1-CZ 3.58Å; E866-R887 IonicContact OE1-NE 3.53Å; E866-R887 PolarHBondContact OE1-NE 2.97Å; E866-R887 IonicContact OE1-NH2 2.66Å; E866-R887 PolarHBondContact OE1-NH2 3.37Å; E866-V908 HydrophobicContact CG-CB 4.25Å; E866-V908 HydrophobicContact CG-CG1 4.24Å; E866-V908 WeakPolarHBondContact OE1-CG1 3.31Å |
| 867 | T | 71.3 | Confident | 83.7 | Confident | 92 Ų | 92 | 65.7 Ų | 65.7 | 56% | 0.564 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -63.3 | -31.7 | -173.2 | 52.3 | 0 | 0 | 0 | 0 | 113.3 | E865 | E865-T867 HydrophobicContact CB-CG2 4.07Å; E865-T867 PolarHBondContact O-N 3.28Å |
| 868 | R | 73.9 | Confident | 83.7 | Confident | 74 Ų | 74 | 73 Ų | 73 | 28% | 0.279 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -104.9 | 12.8 | 177.7 | -64.6 | -172.6 | 65.6 | -142.2 | -0.9 | 114.4 | D823 L825 E866 L870 E871 L872 | D823-R868 IonicContact OD1-CZ 2.64Å; D823-R868 IonicContact OD1-NH1 2.65Å; D823-R868 PolarHBondContact OD1-NH1 3.27Å; D823-R868 IonicContact OD2-CZ 3.41Å; D823-R868 IonicContact OD2-NE 2.99Å; D823-R868 IonicContact OD2-NH1 2.93Å; D823-R868 PolarHBondContact OD2-NH1 3.41Å; L825-R868 HydrophobicContact CD2-CG 4.45Å; E866-R868 VanDerWaalsContact C-N 3.3Å; E866-R868 PolarHBondContact O-N 2.86Å; R868-L870 VanDerWaalsContact C-N 3.3Å; R868-L870 PolarHBondContact O-N 2.85Å; R868-E871 IonicContact CZ-OE2 3.4Å; R868-E871 IonicContact NE-OE2 3.22Å; R868-E871 PolarHBondContact NE-OE2 3.16Å; R868-E871 IonicContact NH2-OE2 2.72Å; R868-E871 PolarHBondContact NH2-OE2 2.84Å; R868-E871 WeakPolarHBondContact O-CB 3.45Å; R868-E871 PolarHBondContact O-N 2.66Å; R868-E871 VanDerWaalsContact O-N 3.1Å; R868-L872 PolarHBondContact O-N 3.5Å |
| 869 | L | 81.9 | Confident | 83.3 | Confident | 18 Ų | 18 | 74.2 Ų | 74.2 | 9% | 0.094 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.7 | -37.9 | -173 | -174.2 | 66.1 | 0 | 0 | 0 | 113.2 | E866 L872 R873 I885 V908 | E866-L869 HydrophobicContact CB-CB 4.25Å; E866-L869 HydrophobicContact CB-CD2 4.19Å; E866-L869 HydrophobicContact CG-CD2 4.29Å; E866-L869 WeakPolarHBondContact O-CB 3.45Å; E866-L869 PolarHBondContact O-N 2.8Å; L869-L872 PolarHBondContact O-N 3.07Å; L869-R873 HydrophobicContact CD1-CG 4.44Å; L869-R873 HydrophobicContact CG-CG 4.47Å; L869-R873 VanDerWaalsContact O-CB 3.31Å; L869-R873 WeakPolarHBondContact O-CB 3.15Å; L869-R873 VanDerWaalsContact O-CG 3.25Å; L869-R873 WeakPolarHBondContact O-CG 3.36Å; L869-R873 PolarHBondContact O-N 3.06Å; L869-I885 HydrophobicContact CD1-CD1 4.25Å; L869-I885 HydrophobicContact CD1-CG2 3.96Å; L869-V908 HydrophobicContact CD1-CB 4.2Å; L869-V908 HydrophobicContact CD1-CG2 4.06Å; L869-V908 HydrophobicContact CD2-CB 4.46Å; L869-V908 VanDerWaalsContact CD2-OXT 3.31Å; L869-V908 WeakPolarHBondContact CD2-OXT 3.1Å |
| 870 | L | 80.6 | Confident | 83 | Confident | 140 Ų | 140 | 84.3 Ų | 84.3 | 73% | 0.733 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.9 | -38.2 | 178.4 | -171.2 | 66.1 | 0 | 0 | 0 | 112.2 | R868 T874 | R868-L870 VanDerWaalsContact C-N 3.3Å; R868-L870 PolarHBondContact O-N 2.85Å; L870-T874 WeakPolarHBondContact O-CB 3.28Å; L870-T874 PolarHBondContact O-N 2.91Å; L870-T874 PolarHBondContact O-OG1 3.24Å |
| 871 | E | 82.9 | Confident | 82.5 | Confident | 112 Ų | 112 | 91.4 Ų | 91.4 | 52% | 0.523 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.8 | -48.4 | 175.8 | -64.6 | -173.4 | 169.4 | 0 | 0 | 110.7 | R868 R873 T874 L875 | R868-E871 IonicContact CZ-OE2 3.4Å; R868-E871 IonicContact NE-OE2 3.22Å; R868-E871 PolarHBondContact NE-OE2 3.16Å; R868-E871 IonicContact NH2-OE2 2.72Å; R868-E871 PolarHBondContact NH2-OE2 2.84Å; R868-E871 WeakPolarHBondContact O-CB 3.45Å; R868-E871 PolarHBondContact O-N 2.66Å; R868-E871 VanDerWaalsContact O-N 3.1Å; E871-R873 PolarHBondContact O-N 2.76Å; E871-T874 WeakPolarHBondContact O-CB 3.44Å; E871-T874 PolarHBondContact O-N 3.23Å; E871-T874 VanDerWaalsContact O-N 3.13Å; E871-L875 WeakPolarHBondContact O-CB 3.35Å; E871-L875 PolarHBondContact O-N 3.23Å |
| 872 | L | 84.9 | Confident | 82.4 | Confident | 4 Ų | 4 | 96.1 Ų | 96.1 | 2% | 0.021 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -63.6 | -42.5 | -179.8 | -68.4 | 173.1 | 0 | 0 | 0 | 111.8 | D823 L854 V861 V863 R868 L869 T874 L875 R876 I885 | D823-L872 HydrophobicContact CB-CD1 4.3Å; L854-L872 HydrophobicContact CD2-CD2 4.01Å; V861-L872 HydrophobicContact CG1-CD1 3.99Å; V861-L872 HydrophobicContact CG1-CD2 4.33Å; V863-L872 HydrophobicContact CG1-CD1 3.65Å; R868-L872 PolarHBondContact O-N 3.5Å; L869-L872 PolarHBondContact O-N 3.07Å; L872-T874 VanDerWaalsContact C-N 3.28Å; L872-T874 PolarHBondContact O-N 3.34Å; L872-L875 PolarHBondContact O-N 2.81Å; L872-R876 VanDerWaalsContact O-CB 3.26Å; L872-R876 WeakPolarHBondContact O-CB 3.48Å; L872-R876 PolarHBondContact O-N 2.93Å; L872-I885 HydrophobicContact CB-CD1 3.77Å |
| 873 | R | 85.8 | Confident | 82.4 | Confident | 122 Ų | 122 | 96.1 Ų | 96.1 | 46% | 0.46 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.8 | -34.9 | 173.9 | -75.5 | 173.3 | 168.2 | -165.6 | -9.7 | 112.2 | L869 E871 I885 V908 | L869-R873 HydrophobicContact CD1-CG 4.44Å; L869-R873 HydrophobicContact CG-CG 4.47Å; L869-R873 VanDerWaalsContact O-CB 3.31Å; L869-R873 WeakPolarHBondContact O-CB 3.15Å; L869-R873 VanDerWaalsContact O-CG 3.25Å; L869-R873 WeakPolarHBondContact O-CG 3.36Å; L869-R873 PolarHBondContact O-N 3.06Å; E871-R873 PolarHBondContact O-N 2.76Å; R873-I885 HydrophobicContact CG-CD1 3.87Å; R873-V908 VanDerWaalsContact CZ-OXT 3.25Å; R873-V908 PolarHBondContact NE-OXT 2.72Å; R873-V908 PolarHBondContact NH2-OXT 3.22Å |
| 874 | T | 84.3 | Confident | 82.6 | Confident | 67 Ų | 67 | 99.5 Ų | 99.5 | 41% | 0.411 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70.8 | -44.1 | 175.4 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | L870 E871 L872 R876 R877 | L870-T874 WeakPolarHBondContact O-CB 3.28Å; L870-T874 PolarHBondContact O-N 2.91Å; L870-T874 PolarHBondContact O-OG1 3.24Å; E871-T874 WeakPolarHBondContact O-CB 3.44Å; E871-T874 PolarHBondContact O-N 3.23Å; E871-T874 VanDerWaalsContact O-N 3.13Å; L872-T874 VanDerWaalsContact C-N 3.28Å; L872-T874 PolarHBondContact O-N 3.34Å; T874-R876 PolarHBondContact O-N 3.03Å; T874-R877 WeakPolarHBondContact O-CB 3.46Å; T874-R877 PolarHBondContact O-N 2.77Å |
| 875 | L | 82.6 | Confident | 83.1 | Confident | 62 Ų | 62 | 95 Ų | 95 | 33% | 0.325 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 178.9 | -158.9 | 80.1 | 0 | 0 | 0 | 111.3 | L854 E871 L872 R877 R878 F879 | L854-L875 HydrophobicContact CD2-CD2 3.58Å; L854-L875 HydrophobicContact CG-CD2 4.24Å; E871-L875 WeakPolarHBondContact O-CB 3.35Å; E871-L875 PolarHBondContact O-N 3.23Å; L872-L875 PolarHBondContact O-N 2.81Å; L875-R877 PolarHBondContact O-N 3.08Å; L875-R878 WeakPolarHBondContact O-CB 3.28Å; L875-R878 PolarHBondContact O-N 2.93Å; L875-F879 HydrophobicContact CD2-CE2 3.92Å; L875-F879 HydrophobicContact CG-CE2 3.91Å; L875-F879 WeakPolarHBondContact O-CD2 3.42Å |
| 876 | R | 87.1 | Confident | 83.9 | Confident | 87 Ų | 87 | 88.9 Ų | 88.9 | 33% | 0.328 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -50.3 | -33.4 | 173.3 | -172.9 | -176.1 | -179 | -161.9 | 3 | 112.3 | L872 T874 R878 F879 K882 F883 | L872-R876 VanDerWaalsContact O-CB 3.26Å; L872-R876 WeakPolarHBondContact O-CB 3.48Å; L872-R876 PolarHBondContact O-N 2.93Å; T874-R876 PolarHBondContact O-N 3.03Å; R876-R878 PolarHBondContact O-N 2.99Å; R876-F879 PolarHBondContact O-N 3.48Å; R876-K882 HydrophobicContact CG-CB 4.33Å; R876-K882 HydrophobicContact CG-CD 4.15Å; R876-K882 WeakPolarHBondContact O-CD 3.35Å; R876-K882 WeakPolarHBondContact O-CE 3.26Å; R876-K882 PolarHBondContact O-NZ 2.94Å; R876-F883 HydrophobicContact CB-CE1 4.08Å; R876-F883 HydrophobicContact CB-CE2 3.98Å; R876-F883 HydrophobicContact CB-CZ 3.63Å; R876-F883 WeakPolarHBondContact CD-O 3.36Å; R876-F883 HydrophobicContact CG-CD2 4.39Å; R876-F883 HydrophobicContact CG-CE1 4.3Å; R876-F883 HydrophobicContact CG-CE2 4.15Å; R876-F883 HydrophobicContact CG-CZ 4.1Å; R876-F883 PolarHBondContact NE-O 3.31Å; R876-F883 PolarHBondContact NH2-O 2.95Å; R876-F883 VanDerWaalsContact NH2-O 3.16Å |
| 877 | R | 84.9 | Confident | 84.6 | Confident | 200 Ų | 200 | 90.6 Ų | 90.6 | 76% | 0.755 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -24.6 | 177.1 | -64.4 | 179.2 | -177.2 | 176 | 0.8 | 113.3 | T874 L875 K882 | T874-R877 WeakPolarHBondContact O-CB 3.46Å; T874-R877 PolarHBondContact O-N 2.77Å; L875-R877 PolarHBondContact O-N 3.08Å; R877-K882 PolarHBondContact O-NZ 2.93Å |
| 878 | R | 84 | Confident | 85.4 | Confident | 199 Ų | 199 | 87.6 Ų | 87.6 | 75% | 0.751 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -22.3 | -178.7 | -59.1 | -176.3 | 179 | 179.5 | -0.1 | 114.3 | L875 R876 | L875-R878 WeakPolarHBondContact O-CB 3.28Å; L875-R878 PolarHBondContact O-N 2.93Å; R876-R878 PolarHBondContact O-N 2.99Å |
| 879 | F | 81.2 | Confident | 86.1 | Confident | 31 Ų | 31 | 86 Ų | 86 | 14% | 0.136 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -80 | 146.8 | 179.7 | -71.7 | -90.5 | 0 | 0 | 0 | 112.5 | L854 E855 E856 L875 R876 K882 F883 | L854-F879 HydrophobicContact CG-CE2 4.45Å; L854-F879 HydrophobicContact CG-CZ 4.24Å; E855-F879 VanDerWaalsContact C-CE1 3.44Å; E856-F879 HydrophobicContact CB-CD1 4.26Å; E856-F879 WeakPolarHBondContact OE2-CD1 3.37Å; L875-F879 HydrophobicContact CD2-CE2 3.92Å; L875-F879 HydrophobicContact CG-CE2 3.91Å; L875-F879 WeakPolarHBondContact O-CD2 3.42Å; R876-F879 PolarHBondContact O-N 3.48Å; F879-K882 PolarHBondContact O-NZ 3.14Å; F879-F883 HydrophobicContact CD2-CD1 4.4Å; F879-F883 AromaticContact CD2-CE1 3.73Å; F879-F883 HydrophobicContact CD2-CE1 3.73Å; F879-F883 AromaticContact CE2-CE1 3.94Å; F879-F883 HydrophobicContact CE2-CE1 3.94Å; F879-F883 HydrophobicContact CG-CE1 4.33Å |
| 880 | R | 84 | Confident | 86.6 | Confident | 240 Ų | 240 | 85.1 Ų | 85.1 | 91% | 0.906 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -72 | -45.8 | 177.7 | -76.9 | -177.9 | 174.1 | 179.2 | -0.9 | 111 | E856 | E856-R880 WeakPolarHBondContact OE1-CB 3.39Å; E856-R880 PolarHBondContact OE1-N 3.17Å; E856-R880 PolarHBondContact OE2-N 3.21Å |
| 881 | K | 82.2 | Confident | 87.1 | Confident | 156 Ų | 156 | 78.4 Ų | 78.4 | 68% | 0.678 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -98 | 121.2 | 172.1 | -162.7 | 175.4 | -178.6 | -176 | 0 | 109.2 | E856 F883 | E856-K881 PolarHBondContact OE1-N 2.63Å; K881-F883 PolarHBondContact O-N 3.49Å |
| 882 | K | 88.6 | Confident | 87.5 | Confident | 98 Ų | 98 | 74.9 Ų | 74.9 | 43% | 0.426 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 118.1 | -176.3 | -55.7 | -53 | -173.5 | -164.7 | 0 | 109.7 | R876 R877 F879 | R876-K882 HydrophobicContact CG-CB 4.33Å; R876-K882 HydrophobicContact CG-CD 4.15Å; R876-K882 WeakPolarHBondContact O-CD 3.35Å; R876-K882 WeakPolarHBondContact O-CE 3.26Å; R876-K882 PolarHBondContact O-NZ 2.94Å; R877-K882 PolarHBondContact O-NZ 2.93Å; F879-K882 PolarHBondContact O-NZ 3.14Å |
| 883 | F | 90.1 | Very high | 87.8 | Confident | 1 Ų | 1 | 77.5 Ų | 77.5 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 154.9 | 167.5 | 55 | -98.5 | 0 | 0 | 0 | 111 | L854 V858 S859 V861 R876 F879 K881 I885 | L854-F883 HydrophobicContact CD1-CD1 4.09Å; L854-F883 HydrophobicContact CD1-CE1 3.91Å; L854-F883 HydrophobicContact CD1-CZ 4.28Å; L854-F883 HydrophobicContact CD2-CE1 4.08Å; L854-F883 HydrophobicContact CD2-CZ 3.85Å; L854-F883 HydrophobicContact CG-CE1 4.24Å; L854-F883 HydrophobicContact CG-CZ 4.49Å; V858-F883 HydrophobicContact CG1-CB 4.34Å; V858-F883 WeakPolarHBondContact O-CB 3.3Å; S859-F883 CarbonylContact O-C 3.6Å; S859-F883 VanDerWaalsContact O-CA 3.28Å; S859-F883 WeakPolarHBondContact O-CA 3.48Å; V861-F883 HydrophobicContact CB-CD2 3.91Å; V861-F883 HydrophobicContact CB-CE2 4.07Å; V861-F883 HydrophobicContact CG2-CB 4.41Å; V861-F883 HydrophobicContact CG2-CD1 4.43Å; V861-F883 HydrophobicContact CG2-CD2 3.28Å; V861-F883 HydrophobicContact CG2-CE2 3.45Å; V861-F883 VanDerWaalsContact CG2-CE2 3.45Å; V861-F883 HydrophobicContact CG2-CG 3.82Å; V861-F883 HydrophobicContact CG2-CZ 4.12Å; R876-F883 HydrophobicContact CB-CE1 4.08Å; R876-F883 HydrophobicContact CB-CE2 3.98Å; R876-F883 HydrophobicContact CB-CZ 3.63Å; R876-F883 WeakPolarHBondContact CD-O 3.36Å; R876-F883 HydrophobicContact CG-CD2 4.39Å; R876-F883 HydrophobicContact CG-CE1 4.3Å; R876-F883 HydrophobicContact CG-CE2 4.15Å; R876-F883 HydrophobicContact CG-CZ 4.1Å; R876-F883 PolarHBondContact NE-O 3.31Å; R876-F883 PolarHBondContact NH2-O 2.95Å; R876-F883 VanDerWaalsContact NH2-O 3.16Å; F879-F883 HydrophobicContact CD2-CD1 4.4Å; F879-F883 AromaticContact CD2-CE1 3.73Å; F879-F883 HydrophobicContact CD2-CE1 3.73Å; F879-F883 AromaticContact CE2-CE1 3.94Å; F879-F883 HydrophobicContact CE2-CE1 3.94Å; F879-F883 HydrophobicContact CG-CE1 4.33Å; K881-F883 PolarHBondContact O-N 3.49Å; F883-I885 HydrophobicContact CD2-CG1 3.99Å; F883-I885 HydrophobicContact CE2-CD1 4.14Å; F883-I885 HydrophobicContact CE2-CG1 3.78Å |
| 884 | K | 91.9 | Very high | 88 | Confident | 76 Ų | 76 | 71.7 Ų | 71.7 | 33% | 0.33 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 146.3 | 169.8 | -72.6 | 179.6 | 179.3 | -174.1 | 0 | 109.6 | S859 H860 V861 V886 D903 L907 | S859-K884 PolarHBondContact O-N 3.46Å; H860-K884 CarbonylContact C-O 3.41Å; H860-K884 WeakPolarHBondContact CA-O 3.11Å; V861-K884 PolarHBondContact N-O 3.33Å; K884-V886 HydrophobicContact CB-CG1 4.48Å; K884-D903 WeakPolarHBondContact CD-OD2 3.37Å; K884-D903 WeakPolarHBondContact CE-OD2 3.45Å; K884-D903 IonicContact NZ-OD1 2.91Å; K884-D903 PolarHBondContact NZ-OD1 3.05Å; K884-D903 IonicContact NZ-OD2 2.68Å; K884-D903 PolarHBondContact NZ-OD2 3.49Å; K884-L907 HydrophobicContact CB-CD2 3.7Å; K884-L907 HydrophobicContact CD-CD2 4.12Å; K884-L907 HydrophobicContact CG-CD2 3.97Å |
| 885 | I | 91.4 | Very high | 88.3 | Confident | 2 Ų | 2 | 70.4 Ų | 70.4 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 120.1 | 174.5 | -51.1 | 173 | 0 | 0 | 0 | 106.1 | V861 V863 L869 L872 R873 F883 L907 V908 | V861-I885 HydrophobicContact CB-CG1 4.49Å; V861-I885 WeakPolarHBondContact O-CA 3.09Å; V863-I885 HydrophobicContact CG1-CG2 4.06Å; V863-I885 HydrophobicContact CG2-CG2 4.18Å; L869-I885 HydrophobicContact CD1-CD1 4.25Å; L869-I885 HydrophobicContact CD1-CG2 3.96Å; L872-I885 HydrophobicContact CB-CD1 3.77Å; R873-I885 HydrophobicContact CG-CD1 3.87Å; F883-I885 HydrophobicContact CD2-CG1 3.99Å; F883-I885 HydrophobicContact CE2-CD1 4.14Å; F883-I885 HydrophobicContact CE2-CG1 3.78Å; I885-L907 WeakPolarHBondContact O-CA 3.26Å; I885-L907 WeakPolarHBondContact O-CD2 3.47Å; I885-V908 HydrophobicContact CB-CG2 4.49Å; I885-V908 HydrophobicContact CG2-CG2 3.89Å; I885-V908 PolarHBondContact O-N 2.91Å |
| 886 | V | 91.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 149.9 | -171.7 | -66.9 | 0 | 0 | 0 | 0 | 110.5 | H860 V861 V862 V863 K884 W890 D903 Y906 L907 | H860-V886 HydrophobicContact CB-CG2 4.38Å; V861-V886 PolarHBondContact O-N 2.72Å; V862-V886 WeakPolarHBondContact CA-O 3.41Å; V862-V886 HydrophobicContact CG2-CG2 4.04Å; V863-V886 PolarHBondContact N-O 3.42Å; K884-V886 HydrophobicContact CB-CG1 4.48Å; V886-W890 HydrophobicContact CB-CE3 4.31Å; V886-W890 HydrophobicContact CG1-CE3 4.45Å; V886-W890 HydrophobicContact CG2-CE3 3.73Å; V886-W890 HydrophobicContact CG2-CZ3 4.23Å; V886-D903 HydrophobicContact CG1-CB 4.22Å; V886-Y906 VanDerWaalsContact CA-O 3.31Å; V886-Y906 WeakPolarHBondContact CA-O 3.35Å; V886-L907 HydrophobicContact CG1-CD2 3.8Å; V886-L907 HydrophobicContact CG1-CG 4.5Å |
| 887 | R | 90.6 | Very high | 88.5 | Confident | 121 Ų | 121 | 69.7 Ų | 69.7 | 46% | 0.457 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 149.8 | 170.4 | -65 | -177.5 | 179.2 | 161.2 | 2.6 | 110.8 | V863 E866 S889 W890 Y906 V908 | V863-R887 WeakPolarHBondContact O-CA 3.45Å; E866-R887 IonicContact OE1-CZ 3.58Å; E866-R887 IonicContact OE1-NE 3.53Å; E866-R887 PolarHBondContact OE1-NE 2.97Å; E866-R887 IonicContact OE1-NH2 2.66Å; E866-R887 PolarHBondContact OE1-NH2 3.37Å; R887-S889 PolarHBondContact O-N 3.46Å; R887-W890 WeakPolarHBondContact O-CB 3.48Å; R887-W890 PolarHBondContact O-N 3.25Å; R887-W890 VanDerWaalsContact O-N 3.13Å; R887-Y906 PolarHBondContact N-O 2.56Å; R887-V908 HydrophobicContact CG-CG1 3.58Å; R887-V908 HydrophobicContact CG-CG2 4.32Å; R887-V908 VanDerWaalsContact NE-CG1 3.25Å |
| 888 | D | 88.6 | Confident | 88.3 | Confident | 30 Ų | 30 | 61.4 Ų | 61.4 | 16% | 0.16 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -28.9 | 179.3 | 78.6 | -64.5 | 0 | 0 | 0 | 113.4 | L836 R839 V862 V863 W890 V891 T892 | L836-D888 HydrophobicContact CD2-CB 3.78Å; R839-D888 HydrophobicContact CG-CB 4.25Å; V862-D888 VanDerWaalsContact CG1-CA 3.44Å; V862-D888 HydrophobicContact CG1-CB 3.78Å; V863-D888 PolarHBondContact O-N 3.09Å; D888-W890 PolarHBondContact O-N 3.05Å; D888-W890 VanDerWaalsContact O-N 3.09Å; D888-V891 WeakPolarHBondContact O-CB 3.46Å; D888-V891 PolarHBondContact O-N 2.65Å; D888-T892 PolarHBondContact O-N 3.4Å |
| 889 | S | 89.3 | Confident | 88.4 | Confident | 39 Ų | 39 | 57.4 Ų | 57.4 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -56.7 | -25.6 | 174.6 | 66.3 | 0 | 0 | 0 | 0 | 113.8 | R887 V891 T892 D893 Y906 | R887-S889 PolarHBondContact O-N 3.46Å; S889-V891 VanDerWaalsContact C-N 3.27Å; S889-V891 PolarHBondContact O-N 3.18Å; S889-T892 WeakPolarHBondContact CA-OG1 3.39Å; S889-T892 PolarHBondContact O-N 3.13Å; S889-T892 PolarHBondContact O-OG1 2.82Å; S889-D893 WeakPolarHBondContact O-CB 3.36Å; S889-D893 PolarHBondContact O-N 3.06Å; S889-Y906 WeakPolarHBondContact OG-CD1 3.37Å |
| 890 | W | 92.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.9 | -38.4 | 175.1 | 179.4 | 57 | 0 | 0 | 0 | 112.3 | F820 H860 V886 R887 D888 S894 L900 I901 D903 Y906 | F820-W890 HydrophobicContact CE1-CE3 4.35Å; F820-W890 HydrophobicContact CE1-CH2 4.37Å; F820-W890 AromaticContact CE1-CZ3 3.59Å; F820-W890 HydrophobicContact CE1-CZ3 3.59Å; F820-W890 HydrophobicContact CZ-CH2 4.41Å; F820-W890 HydrophobicContact CZ-CZ3 4.05Å; H860-W890 HydrophobicContact CB-CZ3 4.36Å; H860-W890 AromaticContact CD2-CH2 3.79Å; H860-W890 AromaticContact CD2-CZ3 3.55Å; H860-W890 AromaticContact CE1-CH2 3.95Å; H860-W890 AromaticContact CG-CZ3 3.81Å; H860-W890 AromaticContact NE2-CH2 3.69Å; H860-W890 AromaticContact NE2-CZ3 3.97Å; V886-W890 HydrophobicContact CB-CE3 4.31Å; V886-W890 HydrophobicContact CG1-CE3 4.45Å; V886-W890 HydrophobicContact CG2-CE3 3.73Å; V886-W890 HydrophobicContact CG2-CZ3 4.23Å; R887-W890 WeakPolarHBondContact O-CB 3.48Å; R887-W890 PolarHBondContact O-N 3.25Å; R887-W890 VanDerWaalsContact O-N 3.13Å; D888-W890 PolarHBondContact O-N 3.05Å; D888-W890 VanDerWaalsContact O-N 3.09Å; W890-S894 VanDerWaalsContact O-CB 3.28Å; W890-S894 WeakPolarHBondContact O-CB 3.31Å; W890-S894 PolarHBondContact O-N 2.64Å; W890-S894 VanDerWaalsContact O-N 3.08Å; W890-S894 PolarHBondContact O-OG 3.29Å; W890-L900 HydrophobicContact CH2-CD1 4.02Å; W890-L900 HydrophobicContact CZ2-CD1 3.67Å; W890-L900 HydrophobicContact CZ2-CD2 4.3Å; W890-L900 HydrophobicContact CZ2-CG 3.95Å; W890-I901 PolarHBondContact NE1-O 3.23Å; W890-D903 HydrophobicContact CD2-CB 4.14Å; W890-D903 HydrophobicContact CH2-CB 4.26Å; W890-D903 HydrophobicContact CZ2-CB 3.7Å; W890-Y906 HydrophobicContact CB-CD1 3.73Å; W890-Y906 HydrophobicContact CB-CD2 4.33Å; W890-Y906 HydrophobicContact CB-CE1 4.41Å; W890-Y906 HydrophobicContact CB-CG 3.67Å; W890-Y906 AromaticContact CD1-CD2 3.65Å; W890-Y906 AromaticContact CD1-CG 3.88Å; W890-Y906 HydrophobicContact CG-CD2 4.3Å; W890-Y906 HydrophobicContact CG-CG 4.08Å |
| 891 | V | 90.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.1 | -46.1 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 109.4 | F815 V843 V862 D888 S889 S894 I895 | F815-V891 HydrophobicContact CE2-CG1 4.21Å; F815-V891 HydrophobicContact CZ-CG1 4.21Å; V843-V891 HydrophobicContact CG2-CB 4.41Å; V843-V891 HydrophobicContact CG2-CG1 3.5Å; V843-V891 HydrophobicContact CG2-CG2 3.96Å; V862-V891 HydrophobicContact CG1-CG2 4.43Å; V862-V891 HydrophobicContact CG2-CG2 4.31Å; D888-V891 WeakPolarHBondContact O-CB 3.46Å; D888-V891 PolarHBondContact O-N 2.65Å; S889-V891 VanDerWaalsContact C-N 3.27Å; S889-V891 PolarHBondContact O-N 3.18Å; V891-S894 PolarHBondContact O-N 2.83Å; V891-I895 HydrophobicContact CG1-CD1 3.8Å; V891-I895 WeakPolarHBondContact O-CD1 3.34Å; V891-I895 VanDerWaalsContact O-CG1 3.23Å; V891-I895 WeakPolarHBondContact O-CG1 3.48Å; V891-I895 PolarHBondContact O-N 2.77Å |
| 892 | T | 90.9 | Very high | 89 | Confident | 37 Ų | 37 | 47.6 Ų | 47.6 | 23% | 0.227 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.2 | -43.4 | -176.8 | 67.2 | 0 | 0 | 0 | 0 | 111.9 | R839 D888 S889 I895 A896 | R839-T892 VanDerWaalsContact CD-CG2 3.44Å; D888-T892 PolarHBondContact O-N 3.4Å; S889-T892 WeakPolarHBondContact CA-OG1 3.39Å; S889-T892 PolarHBondContact O-N 3.13Å; S889-T892 PolarHBondContact O-OG1 2.82Å; T892-I895 PolarHBondContact O-N 3.35Å; T892-A896 WeakPolarHBondContact O-CB 3.36Å; T892-A896 PolarHBondContact O-N 2.97Å |
| 893 | D | 92.1 | Very high | 88.8 | Confident | 59 Ų | 59 | 43.6 Ų | 43.6 | 32% | 0.316 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -70.6 | -39.5 | -177.2 | -65.2 | -5.8 | 0 | 0 | 0 | 110.7 | S889 I895 A896 A897 I901 Y906 | S889-D893 WeakPolarHBondContact O-CB 3.36Å; S889-D893 PolarHBondContact O-N 3.06Å; D893-I895 VanDerWaalsContact C-N 3.33Å; D893-I895 PolarHBondContact O-N 3.18Å; D893-A896 PolarHBondContact O-N 3.22Å; D893-A897 WeakPolarHBondContact O-CB 3.43Å; D893-A897 PolarHBondContact O-N 2.99Å; D893-I901 VanDerWaalsContact C-CD1 3.47Å; D893-I901 HydrophobicContact CB-CD1 3.9Å; D893-I901 WeakPolarHBondContact O-CD1 3.17Å; D893-Y906 VanDerWaalsContact OD2-CE1 3.29Å; D893-Y906 WeakPolarHBondContact OD2-CE1 3.25Å; D893-Y906 PolarHBondContact OD2-OH 3.49Å |
| 894 | S | 89.8 | Confident | 88.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 174 | -62.5 | 0 | 0 | 0 | 0 | 112 | W890 V891 A897 G898 H899 I901 | W890-S894 VanDerWaalsContact O-CB 3.28Å; W890-S894 WeakPolarHBondContact O-CB 3.31Å; W890-S894 PolarHBondContact O-N 2.64Å; W890-S894 VanDerWaalsContact O-N 3.08Å; W890-S894 PolarHBondContact O-OG 3.29Å; V891-S894 PolarHBondContact O-N 2.83Å; S894-A897 PolarHBondContact O-N 2.91Å; S894-G898 PolarHBondContact O-N 3.49Å; S894-G898 VanDerWaalsContact O-N 3.14Å; S894-H899 CarbonylContact C-O 3.14Å; S894-H899 WeakPolarHBondContact CA-O 3.31Å; S894-H899 PolarHBondContact O-N 3.05Å; S894-I901 PolarHBondContact OG-N 3.26Å |
| 895 | I | 89.8 | Confident | 88.3 | Confident | 40 Ų | 40 | 49.6 Ų | 49.6 | 21% | 0.205 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.7 | -45.6 | 175.6 | -68.2 | 166.6 | 0 | 0 | 0 | 111 | M814 F815 E842 H846 V891 T892 D893 A897 G898 | M814-I895 HydrophobicContact CE-CB 4.06Å; M814-I895 HydrophobicContact CE-CG1 3.41Å; M814-I895 VanDerWaalsContact CE-CG1 3.41Å; F815-I895 HydrophobicContact CE2-CD1 4.22Å; F815-I895 HydrophobicContact CE2-CG1 3.86Å; F815-I895 HydrophobicContact CZ-CG1 4.42Å; E842-I895 HydrophobicContact CB-CD1 3.67Å; E842-I895 HydrophobicContact CG-CD1 4.36Å; H846-I895 WeakPolarHBondContact NE2-CG2 3.38Å; V891-I895 HydrophobicContact CG1-CD1 3.8Å; V891-I895 WeakPolarHBondContact O-CD1 3.34Å; V891-I895 VanDerWaalsContact O-CG1 3.23Å; V891-I895 WeakPolarHBondContact O-CG1 3.48Å; V891-I895 PolarHBondContact O-N 2.77Å; T892-I895 PolarHBondContact O-N 3.35Å; D893-I895 VanDerWaalsContact C-N 3.33Å; D893-I895 PolarHBondContact O-N 3.18Å; I895-A897 VanDerWaalsContact C-N 3.3Å; I895-A897 PolarHBondContact O-N 2.83Å; I895-G898 PolarHBondContact O-N 3.23Å; I895-G898 VanDerWaalsContact O-N 3.07Å |
| 896 | A | 89.1 | Confident | 88.1 | Confident | 89 Ų | 89 | 51.6 Ų | 51.6 | 74% | 0.736 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.9 | -36.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T892 D893 G898 | T892-A896 WeakPolarHBondContact O-CB 3.36Å; T892-A896 PolarHBondContact O-N 2.97Å; D893-A896 PolarHBondContact O-N 3.22Å; A896-G898 VanDerWaalsContact C-N 3.27Å; A896-G898 PolarHBondContact O-N 3.47Å |
| 897 | A | 85.2 | Confident | 87.9 | Confident | 45 Ų | 45 | 55.4 Ų | 55.4 | 37% | 0.372 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -77.2 | -11.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | D893 S894 I895 H899 I901 | D893-A897 WeakPolarHBondContact O-CB 3.43Å; D893-A897 PolarHBondContact O-N 2.99Å; S894-A897 PolarHBondContact O-N 2.91Å; I895-A897 VanDerWaalsContact C-N 3.3Å; I895-A897 PolarHBondContact O-N 2.83Å; A897-H899 PolarHBondContact O-N 3.1Å; A897-H899 PolarHBondContact O-ND1 3.13Å; A897-I901 HydrophobicContact CB-CD1 3.79Å; A897-I901 HydrophobicContact CB-CG1 4.06Å |
| 898 | G | 82.3 | Confident | 87.4 | Confident | 27 Ų | 27 | 50.9 Ų | 50.9 | 28% | 0.278 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 10.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | P811 S894 I895 A896 | P811-G898 WeakPolarHBondContact CB-O 3.39Å; S894-G898 PolarHBondContact O-N 3.49Å; S894-G898 VanDerWaalsContact O-N 3.14Å; I895-G898 PolarHBondContact O-N 3.23Å; I895-G898 VanDerWaalsContact O-N 3.07Å; A896-G898 VanDerWaalsContact C-N 3.27Å; A896-G898 PolarHBondContact O-N 3.47Å |
| 899 | H | 84.6 | Confident | 87.4 | Confident | 115 Ų | 115 | 52 Ų | 52 | 53% | 0.532 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -152.9 | 161.2 | 175.3 | 65.7 | -77.8 | 0 | 0 | 0 | 110.2 | S894 A897 I901 | S894-H899 CarbonylContact C-O 3.14Å; S894-H899 WeakPolarHBondContact CA-O 3.31Å; S894-H899 PolarHBondContact O-N 3.05Å; A897-H899 PolarHBondContact O-N 3.1Å; A897-H899 PolarHBondContact O-ND1 3.13Å; H899-I901 PolarHBondContact O-N 3.02Å |
| 900 | L | 85.5 | Confident | 87.3 | Confident | 58 Ų | 58 | 52.6 Ų | 52.6 | 30% | 0.304 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 117.2 | -178.7 | -163.6 | 80.9 | 0 | 0 | 0 | 111 | F815 F818 W890 | F815-L900 HydrophobicContact CD1-CD1 3.39Å; F815-L900 HydrophobicContact CE1-CD1 3.24Å; F815-L900 HydrophobicContact CZ-CD1 4.35Å; F818-L900 HydrophobicContact CD2-CD2 4.38Å; F818-L900 HydrophobicContact CE2-CD1 4.29Å; F818-L900 HydrophobicContact CE2-CD2 3.36Å; F818-L900 HydrophobicContact CE2-CG 4.46Å; F818-L900 HydrophobicContact CZ-CD2 3.64Å; W890-L900 HydrophobicContact CH2-CD1 4.02Å; W890-L900 HydrophobicContact CZ2-CD1 3.67Å; W890-L900 HydrophobicContact CZ2-CD2 4.3Å; W890-L900 HydrophobicContact CZ2-CG 3.95Å |
| 901 | I | 88.6 | Confident | 87 | Confident | 49 Ų | 49 | 55.6 Ų | 55.6 | 25% | 0.251 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -81 | 151.5 | 174.1 | -61.1 | 174.8 | 0 | 0 | 0 | 109 | W890 D893 S894 A897 H899 D903 Y906 | W890-I901 PolarHBondContact NE1-O 3.23Å; D893-I901 VanDerWaalsContact C-CD1 3.47Å; D893-I901 HydrophobicContact CB-CD1 3.9Å; D893-I901 WeakPolarHBondContact O-CD1 3.17Å; S894-I901 PolarHBondContact OG-N 3.26Å; A897-I901 HydrophobicContact CB-CD1 3.79Å; A897-I901 HydrophobicContact CB-CG1 4.06Å; H899-I901 PolarHBondContact O-N 3.02Å; I901-D903 PolarHBondContact O-N 3.28Å; I901-Y906 HydrophobicContact CG2-CE2 4.31Å |
| 902 | D | 86.1 | Confident | 86.8 | Confident | 114 Ų | 114 | 58.8 Ų | 58.8 | 61% | 0.61 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 129.7 | 174.8 | -165.5 | -13.8 | 0 | 0 | 0 | 110.7 | A904 | D902-A904 VanDerWaalsContact C-N 3.3Å; D902-A904 PolarHBondContact O-N 3.4Å; D902-A904 PolarHBondContact OD1-N 3.19Å |
| 903 | D | 85.3 | Confident | 86.6 | Confident | 13 Ų | 13 | 60.2 Ų | 60.2 | 7% | 0.07 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -80.5 | -11 | -175.2 | 59.8 | 29.8 | 0 | 0 | 0 | 113.2 | H860 K884 V886 W890 I901 D905 Y906 L907 | H860-D903 IonicContact CD2-OD2 3.89Å; H860-D903 IonicContact NE2-OD2 2.82Å; H860-D903 PolarHBondContact NE2-OD2 3.4Å; K884-D903 WeakPolarHBondContact CD-OD2 3.37Å; K884-D903 WeakPolarHBondContact CE-OD2 3.45Å; K884-D903 IonicContact NZ-OD1 2.91Å; K884-D903 PolarHBondContact NZ-OD1 3.05Å; K884-D903 IonicContact NZ-OD2 2.68Å; K884-D903 PolarHBondContact NZ-OD2 3.49Å; V886-D903 HydrophobicContact CG1-CB 4.22Å; W890-D903 HydrophobicContact CD2-CB 4.14Å; W890-D903 HydrophobicContact CH2-CB 4.26Å; W890-D903 HydrophobicContact CZ2-CB 3.7Å; I901-D903 PolarHBondContact O-N 3.28Å; D903-D905 VanDerWaalsContact C-N 3.29Å; D903-D905 PolarHBondContact O-N 2.66Å; D903-Y906 PolarHBondContact O-N 2.88Å; D903-L907 WeakPolarHBondContact O-CG 3.29Å; D903-L907 PolarHBondContact O-N 2.99Å |
| 904 | A | 87.4 | Confident | 86.2 | Confident | 52 Ų | 52 | 60.3 Ų | 60.3 | 43% | 0.43 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -55.8 | -40.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D902 Y906 | D902-A904 VanDerWaalsContact C-N 3.3Å; D902-A904 PolarHBondContact O-N 3.4Å; D902-A904 PolarHBondContact OD1-N 3.19Å; A904-Y906 PolarHBondContact O-N 3.48Å |
| 905 | D | 83.6 | Confident | 85.9 | Confident | 151 Ų | 151 | 64.6 Ų | 64.6 | 81% | 0.807 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -77.2 | -10.4 | -179.1 | -66.8 | -33.1 | 0 | 0 | 0 | 113.4 | D903 | D903-D905 VanDerWaalsContact C-N 3.29Å; D903-D905 PolarHBondContact O-N 2.66Å |
| 906 | Y | 87.6 | Confident | 85.6 | Confident | 44 Ų | 44 | 66.5 Ų | 66.5 | 17% | 0.173 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -110.3 | -0.8 | -176.9 | -61.8 | -97.7 | 0 | 0 | 0 | 112.9 | V886 R887 S889 W890 D893 I901 D903 A904 | V886-Y906 VanDerWaalsContact CA-O 3.31Å; V886-Y906 WeakPolarHBondContact CA-O 3.35Å; R887-Y906 PolarHBondContact N-O 2.56Å; S889-Y906 WeakPolarHBondContact OG-CD1 3.37Å; W890-Y906 HydrophobicContact CB-CD1 3.73Å; W890-Y906 HydrophobicContact CB-CD2 4.33Å; W890-Y906 HydrophobicContact CB-CE1 4.41Å; W890-Y906 HydrophobicContact CB-CG 3.67Å; W890-Y906 AromaticContact CD1-CD2 3.65Å; W890-Y906 AromaticContact CD1-CG 3.88Å; W890-Y906 HydrophobicContact CG-CD2 4.3Å; W890-Y906 HydrophobicContact CG-CG 4.08Å; D893-Y906 VanDerWaalsContact OD2-CE1 3.29Å; D893-Y906 WeakPolarHBondContact OD2-CE1 3.25Å; D893-Y906 PolarHBondContact OD2-OH 3.49Å; I901-Y906 HydrophobicContact CG2-CE2 4.31Å; D903-Y906 PolarHBondContact O-N 2.88Å; A904-Y906 PolarHBondContact O-N 3.48Å |
| 907 | L | 87.4 | Confident | 85.3 | Confident | 80 Ų | 80 | 64.6 Ų | 64.6 | 42% | 0.419 | 37% | 0.367 | S | S | . | . | B | Isolated β-bridge | trans | -68.1 | 132.4 | 177 | -73.1 | 171.9 | 0 | 0 | 0 | 111.3 | K884 I885 V886 D903 | K884-L907 HydrophobicContact CB-CD2 3.7Å; K884-L907 HydrophobicContact CD-CD2 4.12Å; K884-L907 HydrophobicContact CG-CD2 3.97Å; I885-L907 WeakPolarHBondContact O-CA 3.26Å; I885-L907 WeakPolarHBondContact O-CD2 3.47Å; V886-L907 HydrophobicContact CG1-CD2 3.8Å; V886-L907 HydrophobicContact CG1-CG 4.5Å; D903-L907 WeakPolarHBondContact O-CG 3.29Å; D903-L907 PolarHBondContact O-N 2.99Å |
| 908 | V | 80.6 | Confident | 85.4 | Confident | 27 Ų | 27 | 66.4 Ų | 66.4 | 16% | 0.164 | 37% | 0.367 | C | S | . | . | trans | -119.7 | 0 | 177.6 | -74.3 | 0 | 0 | 0 | 0 | 114.3 | V863 E866 L869 R873 I885 R887 | V863-V908 HydrophobicContact CG2-CG2 3.79Å; E866-V908 HydrophobicContact CG-CB 4.25Å; E866-V908 HydrophobicContact CG-CG1 4.24Å; E866-V908 WeakPolarHBondContact OE1-CG1 3.31Å; L869-V908 HydrophobicContact CD1-CB 4.2Å; L869-V908 HydrophobicContact CD1-CG2 4.06Å; L869-V908 HydrophobicContact CD2-CB 4.46Å; L869-V908 VanDerWaalsContact CD2-OXT 3.31Å; L869-V908 WeakPolarHBondContact CD2-OXT 3.1Å; R873-V908 VanDerWaalsContact CZ-OXT 3.25Å; R873-V908 PolarHBondContact NE-OXT 2.72Å; R873-V908 PolarHBondContact NH2-OXT 3.22Å; I885-V908 HydrophobicContact CB-CG2 4.49Å; I885-V908 HydrophobicContact CG2-CG2 3.89Å; I885-V908 PolarHBondContact O-N 2.91Å; R887-V908 HydrophobicContact CG-CG1 3.58Å; R887-V908 HydrophobicContact CG-CG2 4.32Å; R887-V908 VanDerWaalsContact NE-CG1 3.25Å |
Retrieved 908 of 908 residues in 1027.2 ms
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