| 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 | 42.6 | Very low | 39.6 | Very low | 234 Ų | 234 | 156.1 Ų | 156.1 | 100% | 1.153 | 82% | 0.821 | S | S | * | * | 0 | 115.1 | 0 | -85.1 | 167.5 | 143.9 | 0 | 0 | 105.7 | |||||
| 2 | D | 41.5 | Very low | 39.3 | Very low | 163 Ų | 163 | 155.8 Ų | 155.8 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | trans | -173.7 | 104.1 | 133.9 | -85.5 | -19.6 | 0 | 0 | 0 | 107.3 | ||||
| 3 | V | 36.5 | Very low | 39 | Very low | 134 Ų | 134 | 156.1 Ų | 156.1 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | trans | -89.3 | 129.2 | 170.5 | 172.6 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 4 | I | 40.1 | Very low | 39 | Very low | 165 Ų | 165 | 155.6 Ų | 155.6 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -170.8 | 148.5 | 161.9 | -99.6 | 146.4 | 0 | 0 | 0 | 109.7 | ||||
| 5 | P | 47 | Very low | 38.9 | Very low | 98 Ų | 98 | 153.6 Ų | 153.6 | 64% | 0.636 | 81% | 0.808 | S | S | * | * | -117.4 | 166.5 | -110.9 | 40.1 | -35.7 | 0 | 0 | 0 | 116 | L7 | P5-L7 PolarHBondContact O-N 2.94Š| |||
| 6 | L | 36.6 | Very low | 38.8 | Very low | 157 Ų | 157 | 152.1 Ų | 152.1 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -47.5 | 118.1 | 161.5 | -85.2 | 85.8 | 0 | 0 | 0 | 111.2 | ||||
| 7 | L | 40 | Very low | 38.7 | Very low | 156 Ų | 156 | 153.3 Ų | 153.3 | 82% | 0.817 | 81% | 0.807 | S | S | * | * | trans | -123.5 | 116 | 158.5 | -106.9 | 142.7 | 0 | 0 | 0 | 107.8 | P5 I9 | P5-L7 PolarHBondContact O-N 2.94Å; L7-I9 PolarHBondContact O-N 2.87Å; L7-I9 VanDerWaalsContact O-N 3.16Å | ||
| 8 | Y | 38.5 | Very low | 38.9 | Very low | 209 Ų | 209 | 149.6 Ų | 149.6 | 82% | 0.82 | 80% | 0.796 | S | S | * | * | trans | -49.4 | 108.2 | 177.8 | -77.5 | -103.5 | 0 | 0 | 0 | 111.5 | L10 | Y8-L10 PolarHBondContact O-N 2.9Š| ||
| 9 | I | 40.2 | Very low | 39 | Very low | 154 Ų | 154 | 152.4 Ų | 152.4 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -83.7 | 107.6 | 162 | -63.8 | 176.1 | 0 | 0 | 0 | 106.1 | L7 C11 | L7-I9 PolarHBondContact O-N 2.87Å; L7-I9 VanDerWaalsContact O-N 3.16Å; I9-C11 PolarHBondContact O-N 2.8Å | ||
| 10 | L | 36.7 | Very low | 39.7 | Very low | 134 Ų | 134 | 145.9 Ų | 145.9 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | trans | -54.4 | 106.2 | 164.7 | -88.7 | 93.2 | 0 | 0 | 0 | 108.3 | Y8 H12 | Y8-L10 PolarHBondContact O-N 2.9Å; L10-H12 PolarHBondContact O-N 3.44Å | ||
| 11 | C | 35.5 | Very low | 40.3 | Very low | 113 Ų | 113 | 142 Ų | 142 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | trans | -65.4 | 86.6 | 158 | -92.1 | 0 | 0 | 0 | 0 | 107.8 | I9 L13 | I9-C11 PolarHBondContact O-N 2.8Å; C11-L13 PolarHBondContact O-N 3.41Å | ||
| 12 | H | 36.6 | Very low | 41.1 | Very low | 152 Ų | 152 | 133.3 Ų | 133.3 | 70% | 0.704 | 71% | 0.711 | S | S | * | * | trans | -64.1 | 93.4 | 149 | -82.2 | -64.1 | 0 | 0 | 0 | 106.6 | L10 L14 | L10-H12 PolarHBondContact O-N 3.44Å; H12-L14 PolarHBondContact O-N 2.87Å | ||
| 13 | L | 35.7 | Very low | 42.6 | Very low | 160 Ų | 160 | 131.1 Ų | 131.1 | 84% | 0.838 | 70% | 0.7 | S | S | * | * | trans | -58.3 | 80.4 | 155.8 | -83.9 | 137.5 | 0 | 0 | 0 | 107 | C11 T15 | C11-L13 PolarHBondContact O-N 3.41Å; L13-T15 VanDerWaalsContact C-N 3.3Å; L13-T15 PolarHBondContact O-N 3.24Å | ||
| 14 | L | 38.2 | Very low | 45 | Very low | 149 Ų | 149 | 126.1 Ų | 126.1 | 78% | 0.78 | 67% | 0.67 | S | S | * | * | trans | -61.4 | 105.9 | 152.8 | -80.4 | 158.2 | 0 | 0 | 0 | 104.4 | H12 V16 | H12-L14 PolarHBondContact O-N 2.87Å; L14-V16 PolarHBondContact O-N 3.07Å | ||
| 15 | T | 38.1 | Very low | 47.7 | Very low | 126 Ų | 126 | 118.2 Ų | 118.2 | 77% | 0.773 | 63% | 0.63 | S | S | * | * | trans | -50.5 | 98.2 | 162 | 37.5 | 0 | 0 | 0 | 0 | 106.7 | L13 Q17 | L13-T15 VanDerWaalsContact C-N 3.3Å; L13-T15 PolarHBondContact O-N 3.24Å; T15-Q17 PolarHBondContact O-N 3.2Å | ||
| 16 | V | 36.4 | Very low | 50 | Low | 130 Ų | 130 | 114.4 Ų | 114.4 | 79% | 0.788 | 60% | 0.604 | S | S | * | * | trans | -66.2 | 89.4 | 162.6 | 179 | 0 | 0 | 0 | 0 | 103.8 | L14 S18 | L14-V16 PolarHBondContact O-N 3.07Å; V16-S18 PolarHBondContact O-N 2.65Å | ||
| 17 | Q | 37.4 | Very low | 52.9 | Low | 172 Ų | 172 | 110.9 Ų | 110.9 | 80% | 0.804 | 58% | 0.583 | S | S | * | * | trans | -54.7 | 103.3 | 155.6 | -79.1 | -179.7 | -18.5 | 0 | 0 | 104.2 | T15 K19 | T15-Q17 PolarHBondContact O-N 3.2Å; Q17-K19 VanDerWaalsContact C-N 3.32Å; Q17-K19 PolarHBondContact O-N 2.75Å | ||
| 18 | S | 43.2 | Very low | 55.5 | Low | 87 Ų | 87 | 104 Ų | 104 | 61% | 0.608 | 55% | 0.548 | S | S | * | . | trans | -56.3 | 105.6 | 169.7 | 47 | 0 | 0 | 0 | 0 | 105.2 | V16 Q20 | V16-S18 PolarHBondContact O-N 2.65Å; S18-Q20 PolarHBondContact O-N 2.86Å | ||
| 19 | K | 40.1 | Very low | 58.3 | Low | 202 Ų | 202 | 94.9 Ų | 94.9 | 88% | 0.878 | 51% | 0.512 | S | S | * | . | trans | -59.2 | 107.7 | 173 | -81.6 | -175.9 | 175.9 | -178.2 | 0 | 105.8 | Q17 S21 | Q17-K19 VanDerWaalsContact C-N 3.32Å; Q17-K19 PolarHBondContact O-N 2.75Å; K19-S21 PolarHBondContact O-N 2.83Å; K19-S21 VanDerWaalsContact O-N 3.17Å | ||
| 20 | Q | 52.2 | Low | 61.1 | Low | 22 Ų | 22 | 88.8 Ų | 88.8 | 10% | 0.103 | 48% | 0.482 | C | S | . | . | trans | -58.8 | 116.6 | 174.6 | -162.8 | 157.1 | 6.2 | 0 | 0 | 106.8 | S18 C24 F25 C249 | S18-Q20 PolarHBondContact O-N 2.86Å; Q20-C24 WeakPolarHBondContact CG-SG 3.45Å; Q20-F25 HydrophobicContact CG-CE1 4.42Å; Q20-F25 HydrophobicContact CG-CE2 3.93Å; Q20-F25 HydrophobicContact CG-CZ 3.73Å; Q20-C249 PolarHBondContact NE2-SG 3.08Å | ||
| 21 | S | 53 | Low | 63.9 | Low | 64 Ų | 64 | 85.7 Ų | 85.7 | 45% | 0.448 | 47% | 0.47 | S | S | . | . | trans | -62.9 | 133.1 | 175.4 | -166 | 0 | 0 | 0 | 0 | 107.8 | K19 D23 C24 | K19-S21 PolarHBondContact O-N 2.83Å; K19-S21 VanDerWaalsContact O-N 3.17Å; S21-D23 PolarHBondContact O-N 3.32Å; S21-D23 VanDerWaalsContact O-N 3.16Å; S21-C24 WeakPolarHBondContact O-CB 3.37Å; S21-C24 PolarHBondContact O-N 2.83Å; S21-C24 PolarHBondContact O-SG 3.24Å | ||
| 22 | P | 59.8 | Low | 66.7 | Low | 52 Ų | 52 | 82.7 Ų | 82.7 | 34% | 0.338 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -46.7 | -43.6 | 176.1 | -29.1 | 35.7 | 0 | 0 | 0 | 112.5 | C24 F25 | P22-C24 PolarHBondContact O-N 3.01Å; P22-F25 PolarHBondContact O-N 2.96Å |
| 23 | D | 72.4 | Confident | 69.5 | Low | 118 Ų | 118 | 79 Ų | 79 | 63% | 0.631 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -60.9 | -14.7 | -179.4 | -49.1 | -0.3 | 0 | 0 | 0 | 114.4 | S21 F25 | S21-D23 PolarHBondContact O-N 3.32Å; S21-D23 VanDerWaalsContact O-N 3.16Å; D23-F25 VanDerWaalsContact C-N 3.29Å; D23-F25 PolarHBondContact O-N 2.67Å |
| 24 | C | 88.1 | Confident | 72.5 | Confident | 28 Ų | 28 | 73.6 Ų | 73.6 | 19% | 0.189 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -74.5 | -21.7 | -179.8 | 86.8 | 0 | 0 | 0 | 0 | 112.9 | Q20 S21 P22 D26 C249 | Q20-C24 WeakPolarHBondContact CG-SG 3.45Å; S21-C24 WeakPolarHBondContact O-CB 3.37Å; S21-C24 PolarHBondContact O-N 2.83Å; S21-C24 PolarHBondContact O-SG 3.24Å; P22-C24 PolarHBondContact O-N 3.01Å; C24-D26 VanDerWaalsContact C-N 3.27Å; C24-D26 PolarHBondContact O-N 2.77Å; C24-C249 HydrophobicContact CB-CB 3.78Å; C24-C249 WeakPolarHBondContact CB-SG 2.89Å; C24-C249 WeakPolarHBondContact O-CB 3.42Å; C24-C249 WeakPolarHBondContact SG-CB 3.4Å; C24-C249 CovalentContact SG-SG 2.04Å; C24-C249 PolarHBondContact SG-SG 3.11Å |
| 25 | F | 96.5 | Very high | 75.2 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -78.6 | -7.6 | 179.5 | -64.8 | -66 | 0 | 0 | 0 | 113.2 | Q20 P22 D23 W230 L233 C249 P250 F251 I252 | Q20-F25 HydrophobicContact CG-CE1 4.42Å; Q20-F25 HydrophobicContact CG-CE2 3.93Å; Q20-F25 HydrophobicContact CG-CZ 3.73Å; P22-F25 PolarHBondContact O-N 2.96Å; D23-F25 VanDerWaalsContact C-N 3.29Å; D23-F25 PolarHBondContact O-N 2.67Å; F25-W230 AromaticContact CE2-CZ3 3.97Å; F25-W230 HydrophobicContact CE2-CZ3 3.97Å; F25-L233 HydrophobicContact CD2-CD1 4.48Å; F25-L233 HydrophobicContact CE1-CB 4.42Å; F25-L233 HydrophobicContact CE2-CB 4.13Å; F25-L233 HydrophobicContact CE2-CD1 4.42Å; F25-L233 HydrophobicContact CZ-CB 3.82Å; F25-C249 HydrophobicContact CD1-CB 4.24Å; F25-C249 HydrophobicContact CE1-CB 4.46Å; F25-P250 HydrophobicContact CD1-CG 4.25Å; F25-P250 WeakPolarHBondContact CD1-O 3.43Å; F25-P250 HydrophobicContact CE1-CG 4.08Å; F25-F251 CarbonylContact O-C 3.57Å; F25-F251 WeakPolarHBondContact O-CA 3.17Å; F25-I252 HydrophobicContact CB-CB 4.07Å; F25-I252 HydrophobicContact CB-CG1 3.82Å; F25-I252 HydrophobicContact CD1-CD1 4.43Å; F25-I252 HydrophobicContact CD1-CG1 3.54Å; F25-I252 HydrophobicContact CE1-CG1 4.34Å; F25-I252 HydrophobicContact CG-CG1 3.91Å; F25-I252 PolarHBondContact O-N 3.36Å |
| 26 | D | 95.8 | Very high | 78.1 | Confident | 17 Ų | 17 | 61.5 Ų | 61.5 | 9% | 0.091 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -85.2 | -12.9 | -177 | -62.7 | -38.8 | 0 | 0 | 0 | 114.5 | C24 G273 R274 | C24-D26 VanDerWaalsContact C-N 3.27Å; C24-D26 PolarHBondContact O-N 2.77Å; D26-G273 WeakPolarHBondContact OD1-CA 3.4Å; D26-R274 HydrophobicContact CB-CG 4.4Å; D26-R274 PolarHBondContact O-NE 3.48Å; D26-R274 PolarHBondContact O-NH2 2.72Å; D26-R274 PolarHBondContact OD1-N 2.96Å |
| 27 | E | 95.8 | Very high | 81.1 | Confident | 83 Ų | 83 | 55.3 Ų | 55.3 | 39% | 0.388 | 30% | 0.302 | S | S | . | . | trans | -86.4 | 117.6 | -172.8 | -175.8 | -173.5 | -166.2 | 0 | 0 | 111.4 | Q29 K248 F251 | E27-Q29 VanDerWaalsContact CB-NE2 3.33Å; E27-Q29 VanDerWaalsContact CD-NE2 3.28Å; E27-Q29 VanDerWaalsContact CG-NE2 3.27Å; E27-Q29 WeakPolarHBondContact O-CG 3.08Å; E27-Q29 PolarHBondContact O-N 3.44Å; E27-Q29 VanDerWaalsContact O-N 3.1Å; E27-Q29 PolarHBondContact O-NE2 2.01Å; E27-Q29 PolarHBondContact OE2-NE2 3.3Å; E27-K248 IonicContact OE1-NZ 2.71Å; E27-K248 PolarHBondContact OE1-NZ 3.38Å; E27-K248 IonicContact OE2-NZ 2.61Å; E27-K248 PolarHBondContact OE2-NZ 3.42Å; E27-F251 WeakPolarHBondContact O-CB 3.49Å | ||
| 28 | L | 96.3 | Very high | 84 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 7% | 0.068 | 26% | 0.264 | C | S | . | . | trans | -65.1 | -10.5 | -178.2 | -171.4 | 60.5 | 0 | 0 | 0 | 114.7 | V30 V37 A63 I119 F251 I354 | L28-V30 VanDerWaalsContact C-N 3.28Å; L28-V30 HydrophobicContact CB-CG2 4.04Å; L28-V30 HydrophobicContact CD2-CG2 3.5Å; L28-V30 VanDerWaalsContact CD2-CG2 3.5Å; L28-V30 HydrophobicContact CG-CG1 4.34Å; L28-V30 HydrophobicContact CG-CG2 3.7Å; L28-V30 PolarHBondContact O-N 3.29Å; L28-V37 HydrophobicContact CD1-CG2 3.93Å; L28-V37 HydrophobicContact CD2-CG2 3.88Å; L28-A63 HydrophobicContact CD1-CB 4.42Å; L28-I119 HydrophobicContact CD1-CD1 3.56Å; L28-F251 HydrophobicContact CB-CD2 4.37Å; L28-F251 HydrophobicContact CD1-CD1 3.74Å; L28-F251 HydrophobicContact CD1-CD2 4.31Å; L28-F251 HydrophobicContact CD1-CE1 3.77Å; L28-F251 HydrophobicContact CD1-CE2 4.33Å; L28-F251 HydrophobicContact CD1-CG 4.01Å; L28-F251 HydrophobicContact CD1-CZ 4.07Å; L28-I354 HydrophobicContact CB-CD1 3.98Å; L28-I354 HydrophobicContact CD1-CD1 4.34Å; L28-I354 HydrophobicContact CD2-CD1 4.11Å; L28-I354 HydrophobicContact CD2-CG1 4.42Å; L28-I354 HydrophobicContact CD2-CG2 3.82Å; L28-I354 HydrophobicContact CG-CD1 4.38Å | ||
| 29 | Q | 96.9 | Very high | 86.7 | Confident | 17 Ų | 17 | 43 Ų | 43 | 8% | 0.079 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 62.1 | 29.6 | -177.9 | -49.4 | -57.1 | -45.2 | 0 | 0 | 114.7 | E27 K117 L239 F244 C249 | E27-Q29 VanDerWaalsContact CB-NE2 3.33Å; E27-Q29 VanDerWaalsContact CD-NE2 3.28Å; E27-Q29 VanDerWaalsContact CG-NE2 3.27Å; E27-Q29 WeakPolarHBondContact O-CG 3.08Å; E27-Q29 PolarHBondContact O-N 3.44Å; E27-Q29 VanDerWaalsContact O-N 3.1Å; E27-Q29 PolarHBondContact O-NE2 2.01Å; E27-Q29 PolarHBondContact OE2-NE2 3.3Å; Q29-K117 WeakPolarHBondContact O-CG 3.48Å; Q29-L239 HydrophobicContact CG-CD1 3.68Å; Q29-F244 HydrophobicContact CB-CD1 4.13Å; Q29-F244 HydrophobicContact CB-CE1 3.84Å; Q29-F244 HydrophobicContact CG-CD1 4.47Å; Q29-F244 HydrophobicContact CG-CE1 4.32Å; Q29-C249 PolarHBondContact NE2-O 3.24Å |
| 30 | V | 97.6 | Very high | 89.5 | Confident | 26 Ų | 26 | 33.4 Ų | 33.4 | 16% | 0.158 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -126.1 | 153.9 | 175.1 | -58.7 | 0 | 0 | 0 | 0 | 110.1 | L28 G62 A63 K117 | L28-V30 VanDerWaalsContact C-N 3.28Å; L28-V30 HydrophobicContact CB-CG2 4.04Å; L28-V30 HydrophobicContact CD2-CG2 3.5Å; L28-V30 VanDerWaalsContact CD2-CG2 3.5Å; L28-V30 HydrophobicContact CG-CG1 4.34Å; L28-V30 HydrophobicContact CG-CG2 3.7Å; L28-V30 PolarHBondContact O-N 3.29Å; V30-G62 VanDerWaalsContact CG1-O 3.25Å; V30-G62 WeakPolarHBondContact CG1-O 3.29Å; V30-A63 HydrophobicContact CG1-CB 4.29Å; V30-K117 HydrophobicContact CG1-CB 4.09Å; V30-K117 HydrophobicContact CG1-CG 3.59Å |
| 31 | P | 96.4 | Very high | 91.7 | Very high | 68 Ų | 68 | 32.3 Ų | 32.3 | 44% | 0.442 | 19% | 0.188 | S | C | . | . | trans | -52.6 | 147.9 | 166.5 | -27.4 | 37.6 | 0 | 0 | 0 | 112.2 | D33 Q34 | P31-D33 WeakPolarHBondContact CB-OD1 3.49Å; P31-D33 PolarHBondContact O-N 2.89Å; P31-Q34 HydrophobicContact CB-CB 4.5Å; P31-Q34 CarbonylContact O-C 3.35Å; P31-Q34 PolarHBondContact O-N 3.44Å | ||
| 32 | S | 94.3 | Very high | 93.8 | Very high | 51 Ų | 51 | 29.3 Ų | 29.3 | 36% | 0.357 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -63.8 | -27.5 | -176.1 | 52.3 | 0 | 0 | 0 | 0 | 113.1 | Q34 S35 E435 | S32-Q34 VanDerWaalsContact C-N 3.28Å; S32-Q34 PolarHBondContact O-N 2.81Å; S32-S35 WeakPolarHBondContact O-CB 3.19Å; S32-S35 PolarHBondContact O-OG 3.04Å; S32-E435 WeakPolarHBondContact CB-OE1 3.14Å; S32-E435 VanDerWaalsContact OG-CD 3.23Å; S32-E435 PolarHBondContact OG-OE1 3.32Å |
| 33 | D | 96.3 | Very high | 95.6 | Very high | 73 Ų | 73 | 26.9 Ų | 26.9 | 39% | 0.39 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | -79.1 | -2 | 173 | 66.3 | -24.2 | 0 | 0 | 0 | 114.2 | P31 S431 A434 | P31-D33 WeakPolarHBondContact CB-OD1 3.49Å; P31-D33 PolarHBondContact O-N 2.89Å; D33-S431 VanDerWaalsContact O-CA 3.24Å; D33-S431 WeakPolarHBondContact O-CA 3.11Å; D33-S431 WeakPolarHBondContact O-CB 3.3Å; D33-S431 PolarHBondContact O-OG 3.14Å; D33-A434 HydrophobicContact CB-CB 4.04Å |
| 34 | Q | 97 | Very high | 96.9 | Very high | 47 Ų | 47 | 24.2 Ų | 24.2 | 22% | 0.22 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -122.2 | 28.1 | 175.1 | -64 | -175.1 | -29.7 | 0 | 0 | 112.3 | P31 S32 V36 G60 G62 | P31-Q34 HydrophobicContact CB-CB 4.5Å; P31-Q34 CarbonylContact O-C 3.35Å; P31-Q34 PolarHBondContact O-N 3.44Å; S32-Q34 VanDerWaalsContact C-N 3.28Å; S32-Q34 PolarHBondContact O-N 2.81Å; Q34-V36 PolarHBondContact O-N 3.28Å; Q34-V36 VanDerWaalsContact O-N 3.14Å; Q34-G60 CarbonylContact C-O 3.54Å; Q34-G60 WeakPolarHBondContact CA-O 3.38Å; Q34-G62 WeakPolarHBondContact O-CA 3.4Å; Q34-G62 PolarHBondContact O-N 2.82Å |
| 35 | S | 96.4 | Very high | 97.4 | Very high | 21 Ų | 21 | 22.9 Ų | 22.9 | 15% | 0.147 | 12% | 0.123 | C | C | . | . | B | Isolated β-bridge | trans | -82.2 | 14 | -169.2 | 49.3 | 0 | 0 | 0 | 0 | 115.3 | S32 R430 | S32-S35 WeakPolarHBondContact O-CB 3.19Å; S32-S35 PolarHBondContact O-OG 3.04Å; S35-R430 VanDerWaalsContact CB-NH2 3.27Å; S35-R430 PolarHBondContact O-NH2 3.21Å; S35-R430 PolarHBondContact OG-NE 3.05Å; S35-R430 PolarHBondContact OG-NH2 2.99Å |
| 36 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 135.9 | 170.4 | -173.7 | 0 | 0 | 0 | 0 | 109.6 | Q34 G60 I61 G62 L348 P355 I357 T427 R430 | Q34-V36 PolarHBondContact O-N 3.28Å; Q34-V36 VanDerWaalsContact O-N 3.14Å; V36-G60 WeakPolarHBondContact CB-O 3.26Å; V36-G60 WeakPolarHBondContact CG2-O 2.99Å; V36-G60 PolarHBondContact N-O 2.55Å; V36-I61 HydrophobicContact CB-CG1 4.05Å; V36-I61 HydrophobicContact CG1-CG1 3.96Å; V36-I61 WeakPolarHBondContact O-CA 3.46Å; V36-G62 PolarHBondContact O-N 3.46Å; V36-G62 VanDerWaalsContact O-N 3.07Å; V36-L348 HydrophobicContact CG1-CD2 4.03Å; V36-L348 HydrophobicContact CG2-CD2 3.75Å; V36-P355 HydrophobicContact CG2-CG 4.27Å; V36-I357 HydrophobicContact CG1-CD1 4.41Å; V36-I357 HydrophobicContact CG1-CG1 4.35Å; V36-T427 HydrophobicContact CG1-CG2 4.38Å; V36-R430 HydrophobicContact CG2-CB 4.3Å; V36-R430 HydrophobicContact CG2-CG 3.87Å |
| 37 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 138.5 | 171.1 | -173.8 | 0 | 0 | 0 | 0 | 109.1 | L28 A63 Q65 I119 I354 P355 R356 I357 | L28-V37 HydrophobicContact CD1-CG2 3.93Å; L28-V37 HydrophobicContact CD2-CG2 3.88Å; V37-A63 WeakPolarHBondContact CA-O 3.41Å; V37-A63 HydrophobicContact CG1-CB 4.43Å; V37-A63 HydrophobicContact CG2-CB 4.26Å; V37-Q65 HydrophobicContact CG1-CB 4.23Å; V37-I119 HydrophobicContact CG1-CD1 4.19Å; V37-I119 HydrophobicContact CG2-CD1 4.4Å; V37-I354 HydrophobicContact CG2-CG2 3.58Å; V37-P355 PolarHBondContact N-O 3.45Å; V37-R356 HydrophobicContact CB-CB 4.17Å; V37-R356 HydrophobicContact CB-CG 4.05Å; V37-R356 HydrophobicContact CG1-CG 4.02Å; V37-R356 CarbonylContact O-C 3.56Å; V37-R356 VanDerWaalsContact O-CA 3.22Å; V37-R356 WeakPolarHBondContact O-CA 3.37Å; V37-I357 PolarHBondContact O-N 3.33Å |
| 38 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 133.5 | 166.9 | 62.1 | 0 | 0 | 0 | 0 | 109.8 | L40 L56 I61 A63 V64 Q65 I357 H418 | V38-L40 HydrophobicContact CG1-CD2 4.37Å; V38-L40 HydrophobicContact CG1-CG 4.18Å; V38-L40 HydrophobicContact CG2-CD2 3.82Å; V38-L40 HydrophobicContact CG2-CG 4.3Å; V38-L56 HydrophobicContact CG1-CD1 4.17Å; V38-L56 HydrophobicContact CG1-CD2 4.11Å; V38-I61 HydrophobicContact CB-CD1 4.22Å; V38-I61 HydrophobicContact CB-CG2 4.21Å; V38-I61 HydrophobicContact CG1-CD1 4.42Å; V38-I61 HydrophobicContact CG1-CG2 3.73Å; V38-A63 PolarHBondContact N-O 3.5Å; V38-V64 HydrophobicContact CG1-CB 4.48Å; V38-V64 HydrophobicContact CG1-CG2 3.83Å; V38-V64 CarbonylContact O-C 3.51Å; V38-V64 WeakPolarHBondContact O-CA 3.26Å; V38-Q65 PolarHBondContact O-N 3.11Å; V38-I357 WeakPolarHBondContact CA-O 3.14Å; V38-I357 HydrophobicContact CB-CD1 4.46Å; V38-I357 HydrophobicContact CB-CG1 4.02Å; V38-I357 HydrophobicContact CG2-CD1 4.46Å; V38-I357 HydrophobicContact CG2-CG1 4.07Å; V38-H418 HydrophobicContact CG2-CB 3.73Å |
| 39 | H | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 102.1 | 168.7 | -172.9 | -175.2 | 0 | 0 | 0 | 109.3 | F41 Q65 H319 R356 I357 M358 S359 | H39-F41 VanDerWaalsContact C-N 3.27Å; H39-F41 AromaticContact CE1-CD2 3.53Å; H39-F41 AromaticContact NE2-CD2 3.51Å; H39-F41 PolarHBondContact O-N 3.09Å; H39-F41 VanDerWaalsContact O-N 3.07Å; H39-Q65 WeakPolarHBondContact CA-O 3.16Å; H39-Q65 HydrophobicContact CB-CB 4.29Å; H39-Q65 PolarHBondContact CD2-O 2.98Å; H39-Q65 VanDerWaalsContact CD2-O 3.29Å; H39-H319 AromaticContact CE1-CG 3.95Å; H39-H319 AromaticContact CE1-ND1 3.41Å; H39-H319 PolarHBondContact CE1-ND1 3.33Å; H39-H319 AromaticContact ND1-ND1 3.83Å; H39-R356 HydrophobicContact CB-CG 4.37Å; H39-I357 PolarHBondContact N-O 3.39Å; H39-M358 HydrophobicContact CB-SD 3.87Å; H39-S359 WeakPolarHBondContact O-CB 3.25Å; H39-S359 PolarHBondContact O-N 3.1Å |
| 40 | L | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 75.7 | 173.1 | -64 | -177.4 | 0 | 0 | 0 | 109.2 | V38 E42 W43 I48 E51 L56 V64 Q65 | V38-L40 HydrophobicContact CG1-CD2 4.37Å; V38-L40 HydrophobicContact CG1-CG 4.18Å; V38-L40 HydrophobicContact CG2-CD2 3.82Å; V38-L40 HydrophobicContact CG2-CG 4.3Å; L40-E42 PolarHBondContact O-N 3.33Å; L40-W43 HydrophobicContact CB-CB 4.19Å; L40-W43 HydrophobicContact CB-CD2 4.21Å; L40-W43 HydrophobicContact CB-CG 3.87Å; L40-W43 HydrophobicContact CD1-CE3 4.44Å; L40-W43 HydrophobicContact CD2-CD2 4.23Å; L40-W43 HydrophobicContact CD2-CZ2 4.19Å; L40-I48 HydrophobicContact CB-CD1 4.4Å; L40-I48 HydrophobicContact CB-CG1 4.19Å; L40-I48 HydrophobicContact CD1-CB 4.27Å; L40-I48 HydrophobicContact CD1-CG1 3.8Å; L40-I48 HydrophobicContact CD1-CG2 4.02Å; L40-E51 HydrophobicContact CD1-CB 4.34Å; L40-E51 HydrophobicContact CD1-CG 4.02Å; L40-L56 HydrophobicContact CD1-CD1 4.44Å; L40-V64 HydrophobicContact CB-CG1 4.05Å; L40-V64 HydrophobicContact CD1-CG1 3.79Å; L40-V64 HydrophobicContact CD1-CG2 4.11Å; L40-V64 HydrophobicContact CG-CG1 3.89Å; L40-Q65 PolarHBondContact N-O 2.97Å; L40-Q65 VanDerWaalsContact N-O 3.07Å |
| 41 | F | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 123.7 | -169.6 | 179.9 | -115.1 | 0 | 0 | 0 | 112.1 | H39 W43 S67 W83 Y87 H319 M358 S359 Y361 W414 | H39-F41 VanDerWaalsContact C-N 3.27Å; H39-F41 AromaticContact CE1-CD2 3.53Å; H39-F41 AromaticContact NE2-CD2 3.51Å; H39-F41 PolarHBondContact O-N 3.09Å; H39-F41 VanDerWaalsContact O-N 3.07Å; F41-W43 PolarHBondContact O-N 2.53Å; F41-S67 WeakPolarHBondContact CD2-OG 3.41Å; F41-W83 HydrophobicContact CE1-CB 4.46Å; F41-W83 HydrophobicContact CE1-CE3 4.46Å; F41-W83 HydrophobicContact CE2-CE3 4.25Å; F41-W83 HydrophobicContact CZ-CB 4.28Å; F41-W83 AromaticContact CZ-CD2 3.98Å; F41-W83 HydrophobicContact CZ-CD2 3.98Å; F41-W83 AromaticContact CZ-CE3 3.49Å; F41-W83 HydrophobicContact CZ-CE3 3.49Å; F41-W83 VanDerWaalsContact CZ-CE3 3.49Å; F41-W83 HydrophobicContact CZ-CG 4.35Å; F41-W83 HydrophobicContact CZ-CZ3 4.11Å; F41-Y87 AromaticContact CE2-CE2 3.95Å; F41-Y87 HydrophobicContact CE2-CE2 3.95Å; F41-H319 HydrophobicContact CD1-CB 3.92Å; F41-H319 HydrophobicContact CD2-CB 3.72Å; F41-H319 AromaticContact CD2-CG 3.97Å; F41-H319 HydrophobicContact CE1-CB 3.86Å; F41-H319 HydrophobicContact CE2-CB 3.64Å; F41-H319 AromaticContact CE2-CD2 3.6Å; F41-H319 AromaticContact CE2-CG 3.69Å; F41-H319 HydrophobicContact CG-CB 3.85Å; F41-H319 HydrophobicContact CZ-CB 3.72Å; F41-H319 AromaticContact CZ-CD2 3.9Å; F41-M358 HydrophobicContact CB-CE 4.01Å; F41-M358 HydrophobicContact CG-CE 4.45Å; F41-S359 PolarHBondContact N-O 3.23Å; F41-Y361 HydrophobicContact CD1-CD1 4.36Å; F41-Y361 AromaticContact CD1-CE1 3.83Å; F41-Y361 HydrophobicContact CD1-CE1 3.83Å; F41-Y361 AromaticContact CE1-CE1 3.7Å; F41-Y361 HydrophobicContact CE1-CE1 3.7Å; F41-W414 WeakPolarHBondContact O-CZ3 3.29Å |
| 42 | E | 97.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 5.6 | -177.9 | -63.4 | -79.3 | 92.8 | 0 | 0 | 116.3 | L40 S67 R86 R97 Y361 P387 W414 | L40-E42 PolarHBondContact O-N 3.33Å; E42-S67 PolarHBondContact N-OG 2.86Å; E42-R86 WeakPolarHBondContact OE1-CD 3.29Å; E42-R86 IonicContact OE1-CZ 3.64Å; E42-R86 IonicContact OE1-NE 2.72Å; E42-R86 PolarHBondContact OE1-NE 2.9Å; E42-R97 VanDerWaalsContact OE2-CD 3.23Å; E42-R97 WeakPolarHBondContact OE2-CD 2.95Å; E42-R97 IonicContact OE2-CZ 3.62Å; E42-R97 IonicContact OE2-NE 3.65Å; E42-R97 IonicContact OE2-NH1 2.92Å; E42-R97 PolarHBondContact OE2-NH1 3.49Å; E42-Y361 HydrophobicContact CB-CE1 4.26Å; E42-Y361 HydrophobicContact CG-CE1 3.96Å; E42-P387 HydrophobicContact CB-CB 3.71Å; E42-P387 HydrophobicContact CB-CG 4Å; E42-P387 HydrophobicContact CG-CB 4.22Å; E42-P387 HydrophobicContact CG-CG 4.25Å; E42-P387 WeakPolarHBondContact OE2-CD 3.2Å; E42-P387 VanDerWaalsContact OE2-CG 3.29Å; E42-P387 WeakPolarHBondContact OE2-CG 3.48Å; E42-W414 HydrophobicContact CB-CH2 4.25Å |
| 43 | W | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.008 | 9% | 0.09 | C | C | . | . | trans | -66.6 | 151.5 | 179.5 | -73.1 | 50.6 | 0 | 0 | 0 | 112 | L40 F41 D47 I48 E51 S98 S359 P400 W414 H418 | L40-W43 HydrophobicContact CB-CB 4.19Å; L40-W43 HydrophobicContact CB-CD2 4.21Å; L40-W43 HydrophobicContact CB-CG 3.87Å; L40-W43 HydrophobicContact CD1-CE3 4.44Å; L40-W43 HydrophobicContact CD2-CD2 4.23Å; L40-W43 HydrophobicContact CD2-CZ2 4.19Å; F41-W43 PolarHBondContact O-N 2.53Å; W43-D47 HydrophobicContact CE3-CB 3.99Å; W43-I48 HydrophobicContact CB-CD1 3.9Å; W43-I48 HydrophobicContact CB-CG1 3.67Å; W43-E51 HydrophobicContact CH2-CG 4.45Å; W43-E51 HydrophobicContact CZ3-CB 4.13Å; W43-E51 HydrophobicContact CZ3-CG 4.01Å; W43-S98 WeakPolarHBondContact O-CB 3.41Å; W43-S98 PolarHBondContact O-OG 3.13Å; W43-S359 WeakPolarHBondContact CZ2-OG 3.23Å; W43-S359 PolarHBondContact NE1-OG 3.27Å; W43-P400 HydrophobicContact CE3-CG 3.97Å; W43-P400 HydrophobicContact CH2-CB 4.16Å; W43-P400 HydrophobicContact CH2-CG 3.59Å; W43-P400 HydrophobicContact CZ2-CG 4.2Å; W43-P400 HydrophobicContact CZ3-CG 3.47Å; W43-P400 VanDerWaalsContact CZ3-CG 3.47Å; W43-W414 AromaticContact CD1-CE3 3.92Å; W43-W414 AromaticContact CD1-CH2 3.86Å; W43-W414 AromaticContact CD1-CZ3 3.38Å; W43-W414 HydrophobicContact CG-CH2 4.34Å; W43-W414 HydrophobicContact CG-CZ3 4.22Å; W43-W414 AromaticContact NE1-CE3 3.49Å; W43-W414 AromaticContact NE1-CZ3 3.46Å; W43-H418 AromaticContact CH2-CE1 3.94Å; W43-H418 AromaticContact CZ2-CE1 3.8Å | ||
| 44 | R | 98.5 | Very high | 98.5 | Very high | 61 Ų | 61 | 19 Ų | 19 | 23% | 0.23 | 10% | 0.1 | C | C | . | . | trans | -72.6 | 153.1 | 169.3 | -64.1 | 175.9 | 52 | -166.5 | -7.9 | 111 | D46 D47 I48 S98 T397 | R44-D46 IonicContact CZ-OD2 3.37Å; R44-D46 IonicContact NH2-OD2 2.68Å; R44-D46 PolarHBondContact NH2-OD2 3.1Å; R44-D46 PolarHBondContact O-N 2.78Å; R44-D47 HydrophobicContact CB-CB 4.36Å; R44-D47 WeakPolarHBondContact CB-OD2 3.37Å; R44-D47 PolarHBondContact O-N 2.85Å; R44-I48 VanDerWaalsContact O-CG1 3.32Å; R44-I48 WeakPolarHBondContact O-CG1 3.41Å; R44-I48 PolarHBondContact O-N 3.03Å; R44-S98 WeakPolarHBondContact CA-O 3.04Å; R44-S98 WeakPolarHBondContact CB-O 3.33Å; R44-T397 VanDerWaalsContact CD-O 3.28Å; R44-T397 WeakPolarHBondContact CD-O 3.37Å; R44-T397 HydrophobicContact CG-CG2 4.18Å | ||
| 45 | W | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 0% | 0.004 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -66.2 | -38.5 | -178.7 | -61.4 | -38.4 | 0 | 0 | 0 | 112.7 | D47 I48 A49 P69 S96 S98 G99 T100 E103 F104 M107 | W45-D47 VanDerWaalsContact C-N 3.3Å; W45-D47 PolarHBondContact O-N 2.79Å; W45-I48 PolarHBondContact O-N 3.21Å; W45-A49 PolarHBondContact O-N 2.83Å; W45-P69 HydrophobicContact CH2-CB 4.15Å; W45-P69 HydrophobicContact CZ2-CB 3.51Å; W45-S96 WeakPolarHBondContact CZ2-OG 3.46Å; W45-S98 VanDerWaalsContact CE2-CB 3.48Å; W45-S98 PolarHBondContact N-O 3.18Å; W45-G99 VanDerWaalsContact CE3-C 3.48Å; W45-G99 WeakPolarHBondContact CZ3-O 2.98Å; W45-T100 VanDerWaalsContact CZ3-C 3.42Å; W45-T100 WeakPolarHBondContact CZ3-O 3.41Å; W45-E103 HydrophobicContact CB-CB 4.35Å; W45-E103 HydrophobicContact CE3-CB 4.19Å; W45-F104 AromaticContact CD1-CD2 3.79Å; W45-F104 HydrophobicContact CD2-CB 3.71Å; W45-F104 AromaticContact CD2-CD2 3.71Å; W45-F104 HydrophobicContact CD2-CD2 3.71Å; W45-F104 HydrophobicContact CD2-CG 4.17Å; W45-F104 AromaticContact CE2-CD2 3.38Å; W45-F104 HydrophobicContact CE3-CB 3.51Å; W45-F104 HydrophobicContact CE3-CD2 4.36Å; W45-F104 HydrophobicContact CE3-CG 4.38Å; W45-F104 HydrophobicContact CG-CB 4.34Å; W45-F104 AromaticContact CG-CD2 3.95Å; W45-F104 HydrophobicContact CG-CD2 3.95Å; W45-F104 HydrophobicContact CH2-CB 4.02Å; W45-F104 HydrophobicContact CH2-CD2 4.37Å; W45-F104 HydrophobicContact CH2-CG 4.37Å; W45-F104 HydrophobicContact CZ2-CB 4.24Å; W45-F104 AromaticContact CZ2-CD2 3.76Å; W45-F104 HydrophobicContact CZ2-CD2 3.76Å; W45-F104 HydrophobicContact CZ2-CE2 4.45Å; W45-F104 HydrophobicContact CZ2-CG 4.2Å; W45-F104 HydrophobicContact CZ3-CB 3.66Å; W45-F104 HydrophobicContact CZ3-CG 4.46Å; W45-F104 AromaticContact NE1-CD2 3.47Å; W45-F104 AromaticContact NE1-CE2 3.95Å; W45-M107 HydrophobicContact CB-CB 3.94Å; W45-M107 HydrophobicContact CB-CG 4.28Å; W45-M107 HydrophobicContact CG-CE 4.42Å; W45-M107 WeakPolarHBondContact O-CB 3.39Å; W45-M107 WeakPolarHBondContact O-CG 3.42Å |
| 46 | D | 98.7 | Very high | 98.7 | Very high | 48 Ų | 48 | 16.6 Ų | 16.6 | 26% | 0.257 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -59.2 | -41 | 172.4 | -61.4 | -32.1 | 0 | 0 | 0 | 112.7 | R44 A49 A50 | R44-D46 IonicContact CZ-OD2 3.37Å; R44-D46 IonicContact NH2-OD2 2.68Å; R44-D46 PolarHBondContact NH2-OD2 3.1Å; R44-D46 PolarHBondContact O-N 2.78Å; D46-A49 PolarHBondContact O-N 2.68Å; D46-A50 WeakPolarHBondContact O-CB 3.39Å; D46-A50 PolarHBondContact O-N 2.97Å |
| 47 | D | 98.8 | Very high | 98.6 | Very high | 24 Ų | 24 | 20 Ų | 20 | 13% | 0.128 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.4 | -38.3 | 179.5 | -63.1 | -36.7 | 0 | 0 | 0 | 110.4 | W43 R44 W45 A50 E51 S399 | W43-D47 HydrophobicContact CE3-CB 3.99Å; R44-D47 HydrophobicContact CB-CB 4.36Å; R44-D47 WeakPolarHBondContact CB-OD2 3.37Å; R44-D47 PolarHBondContact O-N 2.85Å; W45-D47 VanDerWaalsContact C-N 3.3Å; W45-D47 PolarHBondContact O-N 2.79Å; D47-A50 PolarHBondContact O-N 3Å; D47-E51 WeakPolarHBondContact O-CB 3.43Å; D47-E51 PolarHBondContact O-N 2.87Å; D47-S399 VanDerWaalsContact CG-OG 3.29Å; D47-S399 WeakPolarHBondContact OD1-CB 3.18Å; D47-S399 PolarHBondContact OD1-OG 2.86Å; D47-S399 WeakPolarHBondContact OD2-CA 3.36Å; D47-S399 PolarHBondContact OD2-OG 2.82Å; D47-S399 VanDerWaalsContact OD2-OG 3.09Å |
| 48 | I | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.2 | -43.1 | 174.7 | -65.8 | 166.9 | 0 | 0 | 0 | 110.8 | L40 W43 R44 W45 A50 E51 C52 V64 V66 M107 | L40-I48 HydrophobicContact CB-CD1 4.4Å; L40-I48 HydrophobicContact CB-CG1 4.19Å; L40-I48 HydrophobicContact CD1-CB 4.27Å; L40-I48 HydrophobicContact CD1-CG1 3.8Å; L40-I48 HydrophobicContact CD1-CG2 4.02Å; W43-I48 HydrophobicContact CB-CD1 3.9Å; W43-I48 HydrophobicContact CB-CG1 3.67Å; R44-I48 VanDerWaalsContact O-CG1 3.32Å; R44-I48 WeakPolarHBondContact O-CG1 3.41Å; R44-I48 PolarHBondContact O-N 3.03Å; W45-I48 PolarHBondContact O-N 3.21Å; I48-A50 VanDerWaalsContact C-N 3.34Å; I48-A50 PolarHBondContact O-N 3.06Å; I48-E51 WeakPolarHBondContact O-CB 3.2Å; I48-E51 PolarHBondContact O-N 2.94Å; I48-E51 VanDerWaalsContact O-N 3.13Å; I48-C52 PolarHBondContact O-N 2.91Å; I48-C52 PolarHBondContact O-SG 2.99Å; I48-C52 VanDerWaalsContact O-SG 3.37Å; I48-V64 HydrophobicContact CG2-CG1 4.11Å; I48-V66 HydrophobicContact CD1-CG1 3.82Å; I48-M107 HydrophobicContact CB-CG 3.83Å; I48-M107 HydrophobicContact CB-SD 4.39Å; I48-M107 HydrophobicContact CG2-CG 3.66Å; I48-M107 HydrophobicContact CG2-SD 3.65Å |
| 49 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.2 | -48 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | W45 D46 E51 C52 E53 M107 R110 | W45-A49 PolarHBondContact O-N 2.83Å; D46-A49 PolarHBondContact O-N 2.68Å; A49-E51 VanDerWaalsContact C-N 3.3Å; A49-E51 PolarHBondContact O-N 3.43Å; A49-C52 WeakPolarHBondContact O-CB 3.26Å; A49-C52 PolarHBondContact O-N 2.85Å; A49-E53 WeakPolarHBondContact O-CG 3.46Å; A49-E53 PolarHBondContact O-N 3.44Å; A49-M107 HydrophobicContact CB-CB 4.04Å; A49-M107 HydrophobicContact CB-CG 4.09Å; A49-R110 HydrophobicContact CB-CB 4.29Å |
| 50 | A | 98.8 | Very high | 98.4 | Very high | 31 Ų | 31 | 26.5 Ų | 26.5 | 26% | 0.256 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -64 | -34 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D46 D47 I48 N54 | D46-A50 WeakPolarHBondContact O-CB 3.39Å; D46-A50 PolarHBondContact O-N 2.97Å; D47-A50 PolarHBondContact O-N 3Å; I48-A50 VanDerWaalsContact C-N 3.34Å; I48-A50 PolarHBondContact O-N 3.06Å; A50-N54 WeakPolarHBondContact O-CB 3.46Å; A50-N54 VanDerWaalsContact O-CG 3.32Å; A50-N54 PolarHBondContact O-N 2.92Å; A50-N54 PolarHBondContact O-ND2 3.4Å |
| 51 | E | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 1% | 0.014 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.1 | -41.5 | 177 | -170.4 | 64.1 | -167.3 | 0 | 0 | 111.7 | L40 W43 D47 I48 A49 E53 Y55 L56 H418 R419 | L40-E51 HydrophobicContact CD1-CB 4.34Å; L40-E51 HydrophobicContact CD1-CG 4.02Å; W43-E51 HydrophobicContact CH2-CG 4.45Å; W43-E51 HydrophobicContact CZ3-CB 4.13Å; W43-E51 HydrophobicContact CZ3-CG 4.01Å; D47-E51 WeakPolarHBondContact O-CB 3.43Å; D47-E51 PolarHBondContact O-N 2.87Å; I48-E51 WeakPolarHBondContact O-CB 3.2Å; I48-E51 PolarHBondContact O-N 2.94Å; I48-E51 VanDerWaalsContact O-N 3.13Å; A49-E51 VanDerWaalsContact C-N 3.3Å; A49-E51 PolarHBondContact O-N 3.43Å; E51-E53 PolarHBondContact O-N 3.29Å; E51-Y55 WeakPolarHBondContact O-CB 3.41Å; E51-Y55 PolarHBondContact O-N 2.86Å; E51-Y55 VanDerWaalsContact OE1-CD1 3.25Å; E51-Y55 WeakPolarHBondContact OE1-CD1 3.23Å; E51-L56 HydrophobicContact CG-CD1 4.13Å; E51-L56 HydrophobicContact CG-CD2 4.46Å; E51-L56 HydrophobicContact CG-CG 4.03Å; E51-L56 PolarHBondContact O-N 2.83Å; E51-H418 IonicContact OE1-CD2 2.7Å; E51-H418 PolarHBondContact OE1-CD2 3.15Å; E51-H418 IonicContact OE1-CE1 3.56Å; E51-H418 IonicContact OE1-NE2 3.43Å; E51-H418 PolarHBondContact OE1-NE2 2.89Å; E51-R419 VanDerWaalsContact CD-NH2 3.33Å; E51-R419 IonicContact OE1-CZ 3.82Å; E51-R419 IonicContact OE1-NE 3.51Å; E51-R419 PolarHBondContact OE1-NE 2.96Å; E51-R419 IonicContact OE1-NH2 3.32Å; E51-R419 PolarHBondContact OE1-NH2 3.41Å; E51-R419 IonicContact OE2-CZ 2.61Å; E51-R419 VanDerWaalsContact OE2-CZ 3.31Å; E51-R419 IonicContact OE2-NE 2.8Å; E51-R419 PolarHBondContact OE2-NE 2.81Å; E51-R419 VanDerWaalsContact OE2-NE 3.14Å; E51-R419 IonicContact OE2-NH2 3.17Å; E51-R419 PolarHBondContact OE2-NH2 3.21Å |
| 52 | C | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -55.2 | -51.7 | 172.9 | -72.7 | 0 | 0 | 0 | 0 | 111 | I48 A49 Q57 C111 V114 I116 | I48-C52 PolarHBondContact O-N 2.91Å; I48-C52 PolarHBondContact O-SG 2.99Å; I48-C52 VanDerWaalsContact O-SG 3.37Å; A49-C52 WeakPolarHBondContact O-CB 3.26Å; A49-C52 PolarHBondContact O-N 2.85Å; C52-Q57 PolarHBondContact O-N 2.86Å; C52-Q57 VanDerWaalsContact O-N 3.15Å; C52-C111 HydrophobicContact CB-CB 3.85Å; C52-C111 WeakPolarHBondContact CB-SG 3.35Å; C52-C111 WeakPolarHBondContact SG-CB 3.33Å; C52-C111 CovalentContact SG-SG 2.05Å; C52-C111 PolarHBondContact SG-SG 2.87Å; C52-V114 HydrophobicContact CB-CG2 3.95Å; C52-I116 HydrophobicContact CB-CB 4.46Å; C52-I116 HydrophobicContact CB-CG1 4.37Å |
| 53 | E | 98.7 | Very high | 98.5 | Very high | 47 Ų | 47 | 26.5 Ų | 26.5 | 22% | 0.22 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -72.7 | -47.1 | -176.7 | -66.8 | 168.4 | 165.7 | 0 | 0 | 112.8 | A49 E51 Q57 R110 V114 | A49-E53 WeakPolarHBondContact O-CG 3.46Å; A49-E53 PolarHBondContact O-N 3.44Å; E51-E53 PolarHBondContact O-N 3.29Å; E53-Q57 WeakPolarHBondContact O-CG 3.47Å; E53-Q57 PolarHBondContact O-NE2 3.31Å; E53-R110 WeakPolarHBondContact OE1-CB 3.21Å; E53-R110 IonicContact OE1-CZ 3.83Å; E53-R110 IonicContact OE1-NE 3.39Å; E53-R110 PolarHBondContact OE1-NE 3.24Å; E53-R110 IonicContact OE1-NH2 2.93Å; E53-R110 PolarHBondContact OE1-NH2 3.08Å; E53-R110 IonicContact OE2-CZ 2.72Å; E53-R110 IonicContact OE2-NE 3.46Å; E53-R110 IonicContact OE2-NH2 3.28Å; E53-R110 PolarHBondContact OE2-NH2 3.47Å; E53-V114 HydrophobicContact CG-CG1 4.32Å |
| 54 | N | 98 | Very high | 98.5 | Very high | 113 Ų | 113 | 26.4 Ų | 26.4 | 60% | 0.604 | 13% | 0.127 | S | C | * | . | H | α-helix | trans | -88 | -15 | -169 | -62.5 | -55.6 | 0 | 0 | 0 | 113 | A50 | A50-N54 WeakPolarHBondContact O-CB 3.46Å; A50-N54 VanDerWaalsContact O-CG 3.32Å; A50-N54 PolarHBondContact O-N 2.92Å; A50-N54 PolarHBondContact O-ND2 3.4Å |
| 55 | Y | 98.3 | Very high | 98.5 | Very high | 17 Ų | 17 | 23.6 Ų | 23.6 | 7% | 0.067 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -138.9 | -60.9 | -172.1 | -174.3 | -99.2 | 0 | 0 | 0 | 114 | E51 Q57 Y58 T59 H418 R419 R424 | E51-Y55 WeakPolarHBondContact O-CB 3.41Å; E51-Y55 PolarHBondContact O-N 2.86Å; E51-Y55 VanDerWaalsContact OE1-CD1 3.25Å; E51-Y55 WeakPolarHBondContact OE1-CD1 3.23Å; Y55-Q57 VanDerWaalsContact C-N 3.33Å; Y55-Q57 PolarHBondContact O-N 2.83Å; Y55-Y58 PolarHBondContact O-N 3.13Å; Y55-T59 HydrophobicContact CD1-CG2 4.33Å; Y55-T59 HydrophobicContact CE1-CG2 3.93Å; Y55-H418 AromaticContact CE1-CD2 3.83Å; Y55-H418 PolarHBondContact OH-O 2.78Å; Y55-R419 HydrophobicContact CD1-CG 4.1Å; Y55-R419 HydrophobicContact CD2-CG 4.29Å; Y55-R419 HydrophobicContact CE1-CG 3.77Å; Y55-R419 HydrophobicContact CE2-CG 3.96Å; Y55-R419 HydrophobicContact CG-CG 4.37Å; Y55-R419 WeakPolarHBondContact OH-CA 3.32Å; Y55-R424 HydrophobicContact CE2-CG 4.47Å; Y55-R424 WeakPolarHBondContact OH-CB 3.38Å; Y55-R424 VanDerWaalsContact OH-CD 3.3Å; Y55-R424 WeakPolarHBondContact OH-CD 3.03Å; Y55-R424 WeakPolarHBondContact OH-CG 3.32Å |
| 56 | L | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -62.9 | -36.4 | -166.9 | -60 | 174.9 | 0 | 0 | 0 | 113.1 | V38 L40 E51 Y58 T59 I61 V64 I116 | V38-L56 HydrophobicContact CG1-CD1 4.17Å; V38-L56 HydrophobicContact CG1-CD2 4.11Å; L40-L56 HydrophobicContact CD1-CD1 4.44Å; E51-L56 HydrophobicContact CG-CD1 4.13Å; E51-L56 HydrophobicContact CG-CD2 4.46Å; E51-L56 HydrophobicContact CG-CG 4.03Å; E51-L56 PolarHBondContact O-N 2.83Å; L56-Y58 PolarHBondContact O-N 3.24Å; L56-T59 WeakPolarHBondContact O-CB 3.43Å; L56-T59 PolarHBondContact O-N 2.88Å; L56-T59 PolarHBondContact O-OG1 2.87Å; L56-I61 HydrophobicContact CD2-CB 4.39Å; L56-I61 HydrophobicContact CD2-CD1 3.65Å; L56-I61 HydrophobicContact CD2-CG2 4.25Å; L56-V64 HydrophobicContact CD1-CG2 3.46Å; L56-V64 VanDerWaalsContact CD1-CG2 3.46Å; L56-I116 HydrophobicContact CB-CD1 3.98Å; L56-I116 HydrophobicContact CB-CG1 4.19Å |
| 57 | Q | 97.5 | Very high | 98.5 | Very high | 70 Ų | 70 | 21.4 Ų | 21.4 | 33% | 0.327 | 11% | 0.106 | S | C | . | . | G | 310 helix | trans | -58.6 | -18.1 | 177.5 | 72.2 | 165.2 | -65.6 | 0 | 0 | 113.9 | C52 E53 Y55 V114 | C52-Q57 PolarHBondContact O-N 2.86Å; C52-Q57 VanDerWaalsContact O-N 3.15Å; E53-Q57 WeakPolarHBondContact O-CG 3.47Å; E53-Q57 PolarHBondContact O-NE2 3.31Å; Y55-Q57 VanDerWaalsContact C-N 3.33Å; Y55-Q57 PolarHBondContact O-N 2.83Å; Q57-V114 HydrophobicContact CB-CB 3.89Å; Q57-V114 HydrophobicContact CB-CG2 4.23Å |
| 58 | Y | 97 | Very high | 98.5 | Very high | 128 Ų | 128 | 20.3 Ų | 20.3 | 50% | 0.502 | 10% | 0.1 | S | C | . | . | G | 310 helix | trans | -101 | 22.9 | 178.5 | -49.5 | -62.3 | 0 | 0 | 0 | 112.8 | Y55 L56 | Y55-Y58 PolarHBondContact O-N 3.13Å; L56-Y58 PolarHBondContact O-N 3.24Å |
| 59 | T | 97.7 | Very high | 98.5 | Very high | 9 Ų | 9 | 20.2 Ų | 20.2 | 6% | 0.055 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.4 | -179.3 | -177.6 | 75.1 | 0 | 0 | 0 | 0 | 111.2 | Y55 L56 I61 R424 | Y55-T59 HydrophobicContact CD1-CG2 4.33Å; Y55-T59 HydrophobicContact CE1-CG2 3.93Å; L56-T59 WeakPolarHBondContact O-CB 3.43Å; L56-T59 PolarHBondContact O-N 2.88Å; L56-T59 PolarHBondContact O-OG1 2.87Å; T59-I61 VanDerWaalsContact C-N 3.25Å; T59-I61 WeakPolarHBondContact OG1-CB 3.3Å; T59-I61 PolarHBondContact OG1-N 2.63Å; T59-I61 VanDerWaalsContact OG1-N 3.12Å; T59-R424 HydrophobicContact CG2-CG 4.14Å |
| 60 | G | 97.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 13.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q34 V36 T427 | Q34-G60 CarbonylContact C-O 3.54Å; Q34-G60 WeakPolarHBondContact CA-O 3.38Å; V36-G60 WeakPolarHBondContact CB-O 3.26Å; V36-G60 WeakPolarHBondContact CG2-O 2.99Å; V36-G60 PolarHBondContact N-O 2.55Å; G60-T427 PolarHBondContact N-OG1 2.68Å |
| 61 | I | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 126.9 | 178.9 | -61.4 | 163.8 | 0 | 0 | 0 | 108.6 | V36 V38 L56 T59 A63 I116 I357 T427 | V36-I61 HydrophobicContact CB-CG1 4.05Å; V36-I61 HydrophobicContact CG1-CG1 3.96Å; V36-I61 WeakPolarHBondContact O-CA 3.46Å; V38-I61 HydrophobicContact CB-CD1 4.22Å; V38-I61 HydrophobicContact CB-CG2 4.21Å; V38-I61 HydrophobicContact CG1-CD1 4.42Å; V38-I61 HydrophobicContact CG1-CG2 3.73Å; L56-I61 HydrophobicContact CD2-CB 4.39Å; L56-I61 HydrophobicContact CD2-CD1 3.65Å; L56-I61 HydrophobicContact CD2-CG2 4.25Å; T59-I61 VanDerWaalsContact C-N 3.25Å; T59-I61 WeakPolarHBondContact OG1-CB 3.3Å; T59-I61 PolarHBondContact OG1-N 2.63Å; T59-I61 VanDerWaalsContact OG1-N 3.12Å; I61-A63 WeakPolarHBondContact CG2-O 3.25Å; I61-I116 WeakPolarHBondContact O-CD1 3.41Å; I61-I357 HydrophobicContact CD1-CD1 4.02Å; I61-T427 HydrophobicContact CD1-CG2 4.32Å; I61-T427 HydrophobicContact CG1-CG2 4.12Å |
| 62 | G | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | -12.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V30 Q34 V36 I116 K117 | V30-G62 VanDerWaalsContact CG1-O 3.25Å; V30-G62 WeakPolarHBondContact CG1-O 3.29Å; Q34-G62 WeakPolarHBondContact O-CA 3.4Å; Q34-G62 PolarHBondContact O-N 2.82Å; V36-G62 PolarHBondContact O-N 3.46Å; V36-G62 VanDerWaalsContact O-N 3.07Å; G62-I116 CarbonylContact O-C 3.54Å; G62-I116 WeakPolarHBondContact O-CA 3.3Å; G62-K117 PolarHBondContact O-N 2.95Å |
| 63 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 147.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L28 V30 V37 V38 I61 K117 I119 | L28-A63 HydrophobicContact CD1-CB 4.42Å; V30-A63 HydrophobicContact CG1-CB 4.29Å; V37-A63 WeakPolarHBondContact CA-O 3.41Å; V37-A63 HydrophobicContact CG1-CB 4.43Å; V37-A63 HydrophobicContact CG2-CB 4.26Å; V38-A63 PolarHBondContact N-O 3.5Å; I61-A63 WeakPolarHBondContact CG2-O 3.25Å; A63-K117 CarbonylContact C-O 3.52Å; A63-K117 WeakPolarHBondContact CA-O 3.15Å; A63-K117 HydrophobicContact CB-CB 4.15Å; A63-I119 HydrophobicContact CB-CD1 3.86Å; A63-I119 HydrophobicContact CB-CG1 4.39Å |
| 64 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 122.4 | 172.8 | 173.7 | 0 | 0 | 0 | 0 | 108.2 | V38 L40 I48 L56 V66 I116 K117 I118 I119 | V38-V64 HydrophobicContact CG1-CB 4.48Å; V38-V64 HydrophobicContact CG1-CG2 3.83Å; V38-V64 CarbonylContact O-C 3.51Å; V38-V64 WeakPolarHBondContact O-CA 3.26Å; L40-V64 HydrophobicContact CB-CG1 4.05Å; L40-V64 HydrophobicContact CD1-CG1 3.79Å; L40-V64 HydrophobicContact CD1-CG2 4.11Å; L40-V64 HydrophobicContact CG-CG1 3.89Å; I48-V64 HydrophobicContact CG2-CG1 4.11Å; L56-V64 HydrophobicContact CD1-CG2 3.46Å; L56-V64 VanDerWaalsContact CD1-CG2 3.46Å; V64-V66 HydrophobicContact CG1-CG1 3.81Å; V64-I116 HydrophobicContact CG2-CG2 3.76Å; V64-K117 PolarHBondContact N-O 3.23Å; V64-I118 HydrophobicContact CB-CD1 3.97Å; V64-I119 PolarHBondContact O-N 2.92Å |
| 65 | Q | 98.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 15.9 Ų | 15.9 | 1% | 0.009 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 124.9 | 159.4 | -177.1 | -177.9 | -38.5 | 0 | 0 | 108.3 | V37 V38 H39 L40 I119 D121 | V37-Q65 HydrophobicContact CG1-CB 4.23Å; V38-Q65 PolarHBondContact O-N 3.11Å; H39-Q65 WeakPolarHBondContact CA-O 3.16Å; H39-Q65 HydrophobicContact CB-CB 4.29Å; H39-Q65 PolarHBondContact CD2-O 2.98Å; H39-Q65 VanDerWaalsContact CD2-O 3.29Å; L40-Q65 PolarHBondContact N-O 2.97Å; L40-Q65 VanDerWaalsContact N-O 3.07Å; Q65-I119 CarbonylContact C-O 3.52Å; Q65-I119 VanDerWaalsContact CA-O 3.28Å; Q65-I119 WeakPolarHBondContact CA-O 3.24Å; Q65-D121 PolarHBondContact NE2-OD2 2.94Å |
| 66 | V | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 152.5 | 173.3 | -55.9 | 0 | 0 | 0 | 0 | 110.2 | I48 V64 F104 M107 I118 I119 V120 D121 | I48-V66 HydrophobicContact CD1-CG1 3.82Å; V64-V66 HydrophobicContact CG1-CG1 3.81Å; V66-F104 HydrophobicContact CG2-CE2 4.25Å; V66-M107 HydrophobicContact CG1-CE 4.24Å; V66-I118 HydrophobicContact CG1-CG2 4.07Å; V66-I118 HydrophobicContact CG2-CG2 4.21Å; V66-I119 PolarHBondContact N-O 3.44Å; V66-V120 HydrophobicContact CG2-CB 4.46Å; V66-V120 HydrophobicContact CG2-CG2 3.87Å; V66-D121 WeakPolarHBondContact O-CB 3.25Å; V66-D121 PolarHBondContact O-N 2.85Å |
| 67 | S | 98.6 | Very high | 96.7 | Very high | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.021 | 9% | 0.087 | C | C | . | . | P | Polyproline II helix | trans | -66.3 | 163.6 | 172.4 | -48.9 | 0 | 0 | 0 | 0 | 111.6 | F41 E42 P69 | F41-S67 WeakPolarHBondContact CD2-OG 3.41Å; E42-S67 PolarHBondContact N-OG 2.86Å; S67-P69 WeakPolarHBondContact O-CD 3.26Å; S67-P69 VanDerWaalsContact O-N 3.15Å |
| 68 | P | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | P | Polyproline II helix | trans | -53.7 | 119.4 | -173.8 | -27.5 | 33.4 | 0 | 0 | 0 | 113.1 | N70 R86 Y87 D121 V123 | P68-N70 VanDerWaalsContact C-N 3.3Å; P68-N70 PolarHBondContact O-N 2.92Å; P68-R86 HydrophobicContact CB-CG 4.08Å; P68-R86 HydrophobicContact CG-CG 4.22Å; P68-R86 WeakPolarHBondContact O-CD 3.37Å; P68-R86 PolarHBondContact O-NH1 2.03Å; P68-Y87 HydrophobicContact CG-CD1 3.88Å; P68-Y87 HydrophobicContact CG-CD2 4.43Å; P68-Y87 HydrophobicContact CG-CE1 3.67Å; P68-Y87 HydrophobicContact CG-CE2 4.23Å; P68-Y87 HydrophobicContact CG-CG 4.25Å; P68-D121 VanDerWaalsContact CA-O 3.23Å; P68-D121 WeakPolarHBondContact CA-O 3.3Å; P68-D121 WeakPolarHBondContact CB-O 3.48Å; P68-D121 HydrophobicContact CG-CB 4.09Å; P68-V123 HydrophobicContact CB-CG2 4.04Å; P68-V123 HydrophobicContact CG-CG2 3.62Å |
| 69 | P | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -82.3 | -13.4 | -171.1 | 32.9 | -37.8 | 0 | 0 | 0 | 113.3 | W45 S67 L94 F104 V120 L208 | W45-P69 HydrophobicContact CH2-CB 4.15Å; W45-P69 HydrophobicContact CZ2-CB 3.51Å; S67-P69 WeakPolarHBondContact O-CD 3.26Å; S67-P69 VanDerWaalsContact O-N 3.15Å; P69-L94 HydrophobicContact CB-CD2 4.18Å; P69-L94 HydrophobicContact CG-CD2 4.08Å; P69-F104 HydrophobicContact CB-CD2 4.44Å; P69-F104 HydrophobicContact CB-CE2 4.12Å; P69-F104 HydrophobicContact CB-CZ 4.26Å; P69-F104 HydrophobicContact CG-CZ 4.39Å; P69-V120 HydrophobicContact CG-CG1 3.75Å; P69-V120 HydrophobicContact CG-CG2 4.27Å; P69-L208 HydrophobicContact CG-CD1 4.5Å; P69-L208 HydrophobicContact CG-CD2 4.16Å | ||
| 70 | N | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -68.9 | 161.5 | -176.6 | 63.9 | -91.3 | 0 | 0 | 0 | 112.8 | P68 H72 P89 S91 K93 Y204 | P68-N70 VanDerWaalsContact C-N 3.3Å; P68-N70 PolarHBondContact O-N 2.92Å; N70-H72 PolarHBondContact O-N 3.34Å; N70-P89 WeakPolarHBondContact ND2-CB 3.19Å; N70-S91 WeakPolarHBondContact CB-O 3.11Å; N70-K93 CarbonylContact C-O 3.51Å; N70-K93 WeakPolarHBondContact CA-O 3.49Å; N70-Y204 HydrophobicContact CB-CE2 4.31Å |
| 71 | E | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -58 | 133.2 | 171.2 | -178.8 | -178.9 | -162.6 | 0 | 0 | 110.6 | P89 V90 S91 K93 E95 G136 G138 G139 S140 | E71-P89 WeakPolarHBondContact O-CA 3.32Å; E71-V90 HydrophobicContact CG-CB 4.06Å; E71-V90 HydrophobicContact CG-CG1 4.34Å; E71-V90 PolarHBondContact O-N 2.9Å; E71-S91 VanDerWaalsContact OE2-CB 3.32Å; E71-S91 WeakPolarHBondContact OE2-CB 3.39Å; E71-S91 PolarHBondContact OE2-OG 3.09Å; E71-K93 HydrophobicContact CB-CB 4.2Å; E71-K93 PolarHBondContact N-O 3.35Å; E71-E95 WeakPolarHBondContact CA-O 3.34Å; E71-G136 VanDerWaalsContact OE1-C 3.26Å; E71-G136 VanDerWaalsContact OE1-CA 3.27Å; E71-G136 WeakPolarHBondContact OE1-CA 3.49Å; E71-G138 VanDerWaalsContact CG-N 3.34Å; E71-G138 VanDerWaalsContact OE1-CA 3.27Å; E71-G138 WeakPolarHBondContact OE1-CA 3.42Å; E71-G138 PolarHBondContact OE1-N 2.84Å; E71-G139 PolarHBondContact OE1-N 3.03Å; E71-G139 VanDerWaalsContact OE1-N 3.12Å; E71-S140 WeakPolarHBondContact OE1-CB 3.1Å; E71-S140 PolarHBondContact OE1-N 3.09Å; E71-S140 PolarHBondContact OE1-OG 2.82Å; E71-S140 WeakPolarHBondContact OE2-CB 3.32Å; E71-S140 PolarHBondContact OE2-OG 2.93Å | ||
| 72 | H | 97.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 20 Ų | 20 | 1% | 0.014 | 11% | 0.111 | C | C | . | . | B | Isolated β-bridge | trans | -130.4 | 167.1 | -175.2 | 67 | 68 | 0 | 0 | 0 | 111.6 | N70 L85 Q88 R97 G136 S137 | N70-H72 PolarHBondContact O-N 3.34Å; H72-L85 WeakPolarHBondContact CB-O 3.38Å; H72-Q88 CarbonylContact C-O 3.58Å; H72-Q88 VanDerWaalsContact CA-O 3.28Å; H72-Q88 WeakPolarHBondContact CA-O 3.27Å; H72-R97 PolarHBondContact NE2-N 3.04Å; H72-G136 CarbonylContact O-C 3.55Å; H72-G136 VanDerWaalsContact O-CA 3.29Å; H72-G136 WeakPolarHBondContact O-CA 3.48Å; H72-S137 PolarHBondContact N-OG 2.8Å; H72-S137 PolarHBondContact O-N 2.93Å; H72-S137 PolarHBondContact O-OG 3.46Å |
| 73 | I | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | B | Isolated β-bridge | trans | -64.1 | 147.9 | 177.3 | -159.7 | 167.7 | 0 | 0 | 0 | 111.4 | F75 L85 Q88 V90 T128 M132 Y142 | I73-F75 HydrophobicContact CD1-CD1 4.03Å; I73-F75 HydrophobicContact CD1-CE1 3.69Å; I73-F75 HydrophobicContact CG1-CD1 3.87Å; I73-F75 HydrophobicContact CG1-CE1 3.91Å; I73-F75 HydrophobicContact CG2-CD1 4.26Å; I73-F75 HydrophobicContact CG2-CE1 3.82Å; I73-L85 HydrophobicContact CG2-CB 4.15Å; I73-L85 HydrophobicContact CG2-CD2 3.71Å; I73-Q88 HydrophobicContact CB-CB 4.2Å; I73-Q88 HydrophobicContact CG2-CB 3.53Å; I73-Q88 HydrophobicContact CG2-CG 4.33Å; I73-Q88 PolarHBondContact N-O 3.24Å; I73-V90 HydrophobicContact CB-CG2 4.24Å; I73-T128 HydrophobicContact CB-CG2 4.04Å; I73-T128 HydrophobicContact CD1-CG2 3.98Å; I73-T128 HydrophobicContact CG1-CG2 4.29Å; I73-M132 HydrophobicContact CD1-CB 4.43Å; I73-M132 HydrophobicContact CD1-CE 3.7Å; I73-M132 HydrophobicContact CD1-SD 3.56Å; I73-M132 VanDerWaalsContact CD1-SD 3.56Å; I73-Y142 HydrophobicContact CD1-CE2 3.98Å; I73-Y142 WeakPolarHBondContact CD1-OH 3.41Å; I73-Y142 HydrophobicContact CG1-CE1 4.17Å; I73-Y142 HydrophobicContact CG1-CE2 4.48Å; I73-Y142 VanDerWaalsContact CG1-OH 3.23Å; I73-Y142 WeakPolarHBondContact CG1-OH 3.38Å |
| 74 | V | 94.2 | Very high | 93.9 | Very high | 40 Ų | 40 | 22.7 Ų | 22.7 | 24% | 0.242 | 12% | 0.121 | C | C | . | . | trans | -131.5 | 115.2 | -179.7 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 75 | F | 92.4 | Very high | 93.7 | Very high | 60 Ų | 60 | 22.7 Ų | 22.7 | 26% | 0.263 | 12% | 0.121 | S | C | . | . | trans | -161.1 | 165.2 | 168.1 | 59.5 | -86.8 | 0 | 0 | 0 | 110.9 | I73 V77 W84 L85 M132 | I73-F75 HydrophobicContact CD1-CD1 4.03Å; I73-F75 HydrophobicContact CD1-CE1 3.69Å; I73-F75 HydrophobicContact CG1-CD1 3.87Å; I73-F75 HydrophobicContact CG1-CE1 3.91Å; I73-F75 HydrophobicContact CG2-CD1 4.26Å; I73-F75 HydrophobicContact CG2-CE1 3.82Å; F75-V77 HydrophobicContact CD2-CG2 3.9Å; F75-V77 HydrophobicContact CE2-CG2 3.58Å; F75-W84 HydrophobicContact CE1-CZ3 4.46Å; F75-W84 AromaticContact CE2-CH2 3.89Å; F75-W84 HydrophobicContact CE2-CH2 3.89Å; F75-W84 AromaticContact CZ-CH2 3.51Å; F75-W84 HydrophobicContact CZ-CH2 3.51Å; F75-W84 AromaticContact CZ-CZ3 3.81Å; F75-W84 HydrophobicContact CZ-CZ3 3.81Å; F75-L85 HydrophobicContact CD1-CD2 3.69Å; F75-L85 HydrophobicContact CD2-CD2 4.33Å; F75-L85 HydrophobicContact CE1-CD2 3.2Å; F75-L85 HydrophobicContact CE2-CD2 3.93Å; F75-L85 HydrophobicContact CG-CD2 4.25Å; F75-L85 HydrophobicContact CZ-CD2 3.36Å; F75-L85 VanDerWaalsContact O-CD1 3.3Å; F75-L85 WeakPolarHBondContact O-CD1 3.12Å; F75-M132 HydrophobicContact CD1-CE 3.77Å; F75-M132 HydrophobicContact CE1-CE 3.59Å; F75-M132 HydrophobicContact CE1-SD 4.11Å; F75-M132 HydrophobicContact CG-CE 4.36Å; F75-M132 HydrophobicContact CZ-CE 4.04Å; F75-M132 HydrophobicContact CZ-SD 4.39Å | ||
| 76 | E | 90.2 | Very high | 93.5 | Very high | 78 Ų | 78 | 22.6 Ų | 22.6 | 36% | 0.364 | 12% | 0.12 | S | C | . | . | trans | -96.9 | 135.3 | 178.6 | -67.7 | 174.9 | -147.7 | 0 | 0 | 112.6 | D80 R81 K381 F395 | E76-D80 CarbonylContact C-O 3.59Å; E76-D80 VanDerWaalsContact CA-O 3.27Å; E76-D80 WeakPolarHBondContact CA-O 3.28Å; E76-R81 HydrophobicContact CG-CG 4.41Å; E76-K381 PolarHBondContact O-NZ 2.74Å; E76-F395 HydrophobicContact CG-CE2 3.77Å; E76-F395 HydrophobicContact CG-CZ 3.84Å; E76-F395 VanDerWaalsContact OE1-CE2 3.29Å; E76-F395 WeakPolarHBondContact OE1-CE2 3.33Å | ||
| 77 | V | 83.8 | Confident | 93.4 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.024 | 12% | 0.123 | C | C | . | . | B | Isolated β-bridge | trans | -113.8 | 110.8 | 171.8 | -177 | 0 | 0 | 0 | 0 | 106.2 | F75 G79 D80 W84 K381 F383 | F75-V77 HydrophobicContact CD2-CG2 3.9Å; F75-V77 HydrophobicContact CE2-CG2 3.58Å; V77-G79 VanDerWaalsContact C-N 3.26Å; V77-G79 PolarHBondContact O-N 3.01Å; V77-D80 PolarHBondContact N-O 2.99Å; V77-D80 PolarHBondContact O-N 3.43Å; V77-D80 VanDerWaalsContact O-N 3.12Å; V77-W84 HydrophobicContact CG2-CH2 4.33Å; V77-W84 HydrophobicContact CG2-CZ2 4.05Å; V77-K381 HydrophobicContact CB-CD 4.48Å; V77-K381 HydrophobicContact CG1-CB 3.62Å; V77-K381 HydrophobicContact CG1-CD 3.7Å; V77-K381 HydrophobicContact CG1-CG 3.79Å; V77-F383 HydrophobicContact CG1-CD2 4.36Å; V77-F383 WeakPolarHBondContact O-CD2 3.29Å; V77-F383 VanDerWaalsContact O-CE2 3.26Å; V77-F383 WeakPolarHBondContact O-CE2 3.25Å |
| 78 | N | 82.2 | Confident | 93.3 | Very high | 101 Ų | 101 | 23.6 Ų | 23.6 | 54% | 0.54 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 40.4 | -178.7 | -55.7 | -23.1 | 0 | 0 | 0 | 114.5 | K381 F383 | N78-K381 VanDerWaalsContact OD1-CD 3.28Å; N78-K381 WeakPolarHBondContact OD1-CD 3.49Å; N78-F383 HydrophobicContact CB-CD2 3.68Å; N78-F383 HydrophobicContact CB-CE2 4.05Å; N78-F383 HydrophobicContact CB-CG 4.36Å |
| 79 | G | 86.5 | Confident | 93.3 | Very high | 49 Ų | 49 | 23.6 Ų | 23.6 | 51% | 0.505 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 8.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | V77 F395 | V77-G79 VanDerWaalsContact C-N 3.26Å; V77-G79 PolarHBondContact O-N 3.01Å; G79-F395 WeakPolarHBondContact O-CZ 3.49Å |
| 80 | D | 89.2 | Confident | 93.3 | Very high | 22 Ų | 22 | 23.7 Ų | 23.7 | 12% | 0.118 | 12% | 0.124 | C | C | . | . | B | Isolated β-bridge | trans | -129.2 | 163.4 | 173.6 | -162.9 | 13.4 | 0 | 0 | 0 | 112.3 | E76 V77 F383 G386 | E76-D80 CarbonylContact C-O 3.59Å; E76-D80 VanDerWaalsContact CA-O 3.27Å; E76-D80 WeakPolarHBondContact CA-O 3.28Å; V77-D80 PolarHBondContact N-O 2.99Å; V77-D80 PolarHBondContact O-N 3.43Å; V77-D80 VanDerWaalsContact O-N 3.12Å; D80-F383 HydrophobicContact CB-CE2 3.59Å; D80-F383 HydrophobicContact CB-CZ 3.87Å; D80-G386 PolarHBondContact OD2-N 3.5Å |
| 81 | R | 91.6 | Very high | 93.3 | Very high | 58 Ų | 58 | 23.7 Ų | 23.7 | 22% | 0.219 | 12% | 0.124 | C | C | . | . | trans | -101.7 | 100 | 169.4 | -69 | -170.3 | -173.3 | 171.7 | 2.8 | 110.2 | E76 L85 G386 P393 F395 | E76-R81 HydrophobicContact CG-CG 4.41Å; R81-L85 HydrophobicContact CB-CD1 3.92Å; R81-L85 HydrophobicContact CG-CD1 4.44Å; R81-G386 WeakPolarHBondContact O-CA 3.39Å; R81-P393 PolarHBondContact NH2-O 3.06Å; R81-F395 HydrophobicContact CB-CD1 4.19Å; R81-F395 HydrophobicContact CB-CG 4.28Å; R81-F395 HydrophobicContact CG-CB 4.14Å; R81-F395 HydrophobicContact CG-CD1 3.94Å; R81-F395 HydrophobicContact CG-CD2 3.83Å; R81-F395 HydrophobicContact CG-CE1 4.3Å; R81-F395 HydrophobicContact CG-CE2 4.16Å; R81-F395 HydrophobicContact CG-CG 3.69Å; R81-F395 HydrophobicContact CG-CZ 4.38Å; R81-F395 VanDerWaalsContact NE-CD2 3.28Å | ||
| 82 | S | 91.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.13 | C | C | . | . | trans | -53.6 | 148.5 | 179.5 | -61 | 0 | 0 | 0 | 0 | 113.5 | W84 L85 R97 F384 | S82-W84 VanDerWaalsContact C-N 3.32Å; S82-W84 VanDerWaalsContact CB-CE2 3.49Å; S82-W84 PolarHBondContact O-N 3.14Å; S82-L85 WeakPolarHBondContact O-CB 3.41Å; S82-L85 WeakPolarHBondContact O-CD1 3.29Å; S82-L85 VanDerWaalsContact O-CG 3.3Å; S82-L85 WeakPolarHBondContact O-CG 3.28Å; S82-L85 PolarHBondContact O-N 3.15Å; S82-R97 PolarHBondContact O-NH1 3.04Å; S82-R97 PolarHBondContact O-NH2 3.21Å; S82-F384 VanDerWaalsContact CA-O 3.25Å; S82-F384 WeakPolarHBondContact CA-O 3.44Å; S82-F384 WeakPolarHBondContact CB-O 3.09Å; S82-F384 PolarHBondContact OG-O 3Å | ||
| 83 | W | 92.8 | Very high | 93.3 | Very high | 13 Ų | 13 | 29 Ų | 29 | 5% | 0.049 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -60.3 | -39.9 | -179.9 | 70.4 | -92.9 | 0 | 0 | 0 | 112.8 | F41 L85 R86 Y87 H319 D320 Y361 | F41-W83 HydrophobicContact CE1-CB 4.46Å; F41-W83 HydrophobicContact CE1-CE3 4.46Å; F41-W83 HydrophobicContact CE2-CE3 4.25Å; F41-W83 HydrophobicContact CZ-CB 4.28Å; F41-W83 AromaticContact CZ-CD2 3.98Å; F41-W83 HydrophobicContact CZ-CD2 3.98Å; F41-W83 AromaticContact CZ-CE3 3.49Å; F41-W83 HydrophobicContact CZ-CE3 3.49Å; F41-W83 VanDerWaalsContact CZ-CE3 3.49Å; F41-W83 HydrophobicContact CZ-CG 4.35Å; F41-W83 HydrophobicContact CZ-CZ3 4.11Å; W83-L85 PolarHBondContact O-N 3.14Å; W83-L85 VanDerWaalsContact O-N 3.08Å; W83-R86 WeakPolarHBondContact O-CB 3.45Å; W83-R86 PolarHBondContact O-N 2.94Å; W83-Y87 HydrophobicContact CE3-CD2 4.07Å; W83-Y87 HydrophobicContact CE3-CE2 4.05Å; W83-Y87 AromaticContact CZ3-CD2 3.81Å; W83-Y87 HydrophobicContact CZ3-CD2 3.81Å; W83-Y87 AromaticContact CZ3-CE2 3.81Å; W83-Y87 HydrophobicContact CZ3-CE2 3.81Å; W83-H319 AromaticContact CH2-CD2 3.95Å; W83-H319 AromaticContact CZ3-CD2 3.61Å; W83-D320 WeakPolarHBondContact CH2-OD1 3.38Å; W83-Y361 VanDerWaalsContact CB-OH 3.23Å; W83-Y361 WeakPolarHBondContact CB-OH 3.33Å |
| 84 | W | 92.7 | Very high | 93.4 | Very high | 42 Ų | 42 | 29.1 Ų | 29.1 | 16% | 0.159 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -66.7 | -14.7 | -175.4 | 54.9 | -105.1 | 0 | 0 | 0 | 113.1 | F75 V77 S82 R86 Y87 Q88 F384 | F75-W84 HydrophobicContact CE1-CZ3 4.46Å; F75-W84 AromaticContact CE2-CH2 3.89Å; F75-W84 HydrophobicContact CE2-CH2 3.89Å; F75-W84 AromaticContact CZ-CH2 3.51Å; F75-W84 HydrophobicContact CZ-CH2 3.51Å; F75-W84 AromaticContact CZ-CZ3 3.81Å; F75-W84 HydrophobicContact CZ-CZ3 3.81Å; V77-W84 HydrophobicContact CG2-CH2 4.33Å; V77-W84 HydrophobicContact CG2-CZ2 4.05Å; S82-W84 VanDerWaalsContact C-N 3.32Å; S82-W84 VanDerWaalsContact CB-CE2 3.49Å; S82-W84 PolarHBondContact O-N 3.14Å; W84-R86 PolarHBondContact O-N 3.09Å; W84-Y87 PolarHBondContact O-N 2.82Å; W84-Q88 VanDerWaalsContact CE3-NE2 3.32Å; W84-F384 AromaticContact CD1-CD2 3.58Å; W84-F384 AromaticContact NE1-CD2 3.54Å |
| 85 | L | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -57.1 | -31.1 | 172.1 | -62.6 | 169.8 | 0 | 0 | 0 | 111.1 | H72 I73 F75 R81 S82 W83 Y87 Q88 | H72-L85 WeakPolarHBondContact CB-O 3.38Å; I73-L85 HydrophobicContact CG2-CB 4.15Å; I73-L85 HydrophobicContact CG2-CD2 3.71Å; F75-L85 HydrophobicContact CD1-CD2 3.69Å; F75-L85 HydrophobicContact CD2-CD2 4.33Å; F75-L85 HydrophobicContact CE1-CD2 3.2Å; F75-L85 HydrophobicContact CE2-CD2 3.93Å; F75-L85 HydrophobicContact CG-CD2 4.25Å; F75-L85 HydrophobicContact CZ-CD2 3.36Å; F75-L85 VanDerWaalsContact O-CD1 3.3Å; F75-L85 WeakPolarHBondContact O-CD1 3.12Å; R81-L85 HydrophobicContact CB-CD1 3.92Å; R81-L85 HydrophobicContact CG-CD1 4.44Å; S82-L85 WeakPolarHBondContact O-CB 3.41Å; S82-L85 WeakPolarHBondContact O-CD1 3.29Å; S82-L85 VanDerWaalsContact O-CG 3.3Å; S82-L85 WeakPolarHBondContact O-CG 3.28Å; S82-L85 PolarHBondContact O-N 3.15Å; W83-L85 PolarHBondContact O-N 3.14Å; W83-L85 VanDerWaalsContact O-N 3.08Å; L85-Y87 PolarHBondContact O-N 2.98Å; L85-Q88 WeakPolarHBondContact O-CB 3.33Å; L85-Q88 PolarHBondContact O-N 3.22Å; L85-Q88 VanDerWaalsContact O-N 3.14Å |
| 86 | R | 94.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -61.5 | -30.9 | 176 | -179.3 | 176.9 | -73.5 | -92.8 | 12 | 112.9 | E42 P68 W83 W84 Q88 S96 S98 | E42-R86 WeakPolarHBondContact OE1-CD 3.29Å; E42-R86 IonicContact OE1-CZ 3.64Å; E42-R86 IonicContact OE1-NE 2.72Å; E42-R86 PolarHBondContact OE1-NE 2.9Å; P68-R86 HydrophobicContact CB-CG 4.08Å; P68-R86 HydrophobicContact CG-CG 4.22Å; P68-R86 WeakPolarHBondContact O-CD 3.37Å; P68-R86 PolarHBondContact O-NH1 2.03Å; W83-R86 WeakPolarHBondContact O-CB 3.45Å; W83-R86 PolarHBondContact O-N 2.94Å; W84-R86 PolarHBondContact O-N 3.09Å; R86-Q88 PolarHBondContact O-N 3.16Å; R86-S96 PolarHBondContact NH1-OG 3.28Å; R86-S98 VanDerWaalsContact NH2-N 3.15Å; R86-S98 PolarHBondContact NH2-OG 3.31Å |
| 87 | Y | 97 | Very high | 93.9 | Very high | 16 Ų | 16 | 26.8 Ų | 26.8 | 6% | 0.063 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -85.6 | 17 | 179.3 | -69 | -101.9 | 0 | 0 | 0 | 112 | F41 P68 W83 W84 L85 P89 D121 V123 H126 H319 | F41-Y87 AromaticContact CE2-CE2 3.95Å; F41-Y87 HydrophobicContact CE2-CE2 3.95Å; P68-Y87 HydrophobicContact CG-CD1 3.88Å; P68-Y87 HydrophobicContact CG-CD2 4.43Å; P68-Y87 HydrophobicContact CG-CE1 3.67Å; P68-Y87 HydrophobicContact CG-CE2 4.23Å; P68-Y87 HydrophobicContact CG-CG 4.25Å; W83-Y87 HydrophobicContact CE3-CD2 4.07Å; W83-Y87 HydrophobicContact CE3-CE2 4.05Å; W83-Y87 AromaticContact CZ3-CD2 3.81Å; W83-Y87 HydrophobicContact CZ3-CD2 3.81Å; W83-Y87 AromaticContact CZ3-CE2 3.81Å; W83-Y87 HydrophobicContact CZ3-CE2 3.81Å; W84-Y87 PolarHBondContact O-N 2.82Å; L85-Y87 PolarHBondContact O-N 2.98Å; Y87-P89 WeakPolarHBondContact O-CD 3.06Å; Y87-D121 WeakPolarHBondContact CE1-OD2 3.5Å; Y87-D121 PolarHBondContact OH-OD2 2.99Å; Y87-V123 HydrophobicContact CD1-CG2 3.74Å; Y87-V123 HydrophobicContact CE1-CG2 4.41Å; Y87-V123 HydrophobicContact CG-CG2 4.4Å; Y87-H126 PolarHBondContact O-NE2 3.45Å; Y87-H319 AromaticContact CE1-NE2 3.84Å; Y87-H319 AromaticContact CZ-NE2 3.4Å; Y87-H319 PolarHBondContact OH-NE2 3.41Å |
| 88 | Q | 97.7 | Very high | 94.6 | Very high | 10 Ų | 10 | 26.8 Ų | 26.8 | 5% | 0.047 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -120.7 | 83.5 | 176.3 | -68.8 | -160.4 | 19.9 | 0 | 0 | 110.2 | H72 I73 W84 L85 R86 L187 | H72-Q88 CarbonylContact C-O 3.58Å; H72-Q88 VanDerWaalsContact CA-O 3.28Å; H72-Q88 WeakPolarHBondContact CA-O 3.27Å; I73-Q88 HydrophobicContact CB-CB 4.2Å; I73-Q88 HydrophobicContact CG2-CB 3.53Å; I73-Q88 HydrophobicContact CG2-CG 4.33Å; I73-Q88 PolarHBondContact N-O 3.24Å; W84-Q88 VanDerWaalsContact CE3-NE2 3.32Å; L85-Q88 WeakPolarHBondContact O-CB 3.33Å; L85-Q88 PolarHBondContact O-N 3.22Å; L85-Q88 VanDerWaalsContact O-N 3.14Å; R86-Q88 PolarHBondContact O-N 3.16Å; Q88-L187 HydrophobicContact CG-CD2 3.64Å |
| 89 | P | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | B | Isolated β-bridge | trans | -59.8 | 138.5 | -177.4 | -25.1 | 34.4 | 0 | 0 | 0 | 113.3 | N70 E71 Y87 V123 M127 T128 | N70-P89 WeakPolarHBondContact ND2-CB 3.19Å; E71-P89 WeakPolarHBondContact O-CA 3.32Å; Y87-P89 WeakPolarHBondContact O-CD 3.06Å; P89-V123 HydrophobicContact CG-CB 3.8Å; P89-V123 HydrophobicContact CG-CG1 3.67Å; P89-M127 HydrophobicContact CB-CE 4.02Å; P89-M127 HydrophobicContact CB-SD 3.86Å; P89-M127 CarbonylContact O-C 3.47Å; P89-T128 WeakPolarHBondContact O-CG2 3.5Å; P89-T128 PolarHBondContact O-N 3.08Å |
| 90 | V | 98.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.006 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -104.5 | -34.3 | 166.7 | 166.3 | 0 | 0 | 0 | 0 | 110.4 | E71 I73 T128 Y142 Y151 | E71-V90 HydrophobicContact CG-CB 4.06Å; E71-V90 HydrophobicContact CG-CG1 4.34Å; E71-V90 PolarHBondContact O-N 2.9Å; I73-V90 HydrophobicContact CB-CG2 4.24Å; V90-T128 HydrophobicContact CG2-CG2 3.52Å; V90-Y142 HydrophobicContact CB-CD1 4.37Å; V90-Y142 HydrophobicContact CG1-CD1 3.82Å; V90-Y142 HydrophobicContact CG1-CG 4.26Å; V90-Y142 HydrophobicContact CG2-CD1 3.61Å; V90-Y142 HydrophobicContact CG2-CE1 3.89Å; V90-Y142 HydrophobicContact CG2-CG 4.12Å; V90-Y151 VanDerWaalsContact O-CD1 3.31Å; V90-Y151 WeakPolarHBondContact O-CD1 3.06Å |
| 91 | S | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | -156.3 | -174.9 | 171.7 | 84.3 | 0 | 0 | 0 | 0 | 110.6 | N70 E71 K93 | N70-S91 WeakPolarHBondContact CB-O 3.11Å; E71-S91 VanDerWaalsContact OE2-CB 3.32Å; E71-S91 WeakPolarHBondContact OE2-CB 3.39Å; E71-S91 PolarHBondContact OE2-OG 3.09Å; S91-K93 WeakPolarHBondContact OG-CB 3.47Å; S91-K93 WeakPolarHBondContact OG-CG 3.41Å; S91-K93 PolarHBondContact OG-N 2.65Å; S91-K93 VanDerWaalsContact OG-N 3.13Å | ||
| 92 | Y | 98.6 | Very high | 96.7 | Very high | 28 Ų | 28 | 28.6 Ų | 28.6 | 11% | 0.11 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -99 | 11.6 | 174.5 | -60.9 | -44.6 | 0 | 0 | 0 | 113.9 | V154 Y156 K200 V201 Y204 | Y92-V154 HydrophobicContact CD2-CB 4.21Å; Y92-V154 HydrophobicContact CD2-CG2 3.87Å; Y92-V154 HydrophobicContact CE2-CB 4.47Å; Y92-V154 HydrophobicContact CE2-CG2 3.77Å; Y92-Y156 HydrophobicContact CE2-CE2 4.12Å; Y92-Y156 PolarHBondContact OH-OH 3.38Å; Y92-K200 HydrophobicContact CE2-CB 4.41Å; Y92-V201 WeakPolarHBondContact OH-CG2 3.45Å; Y92-Y204 AromaticContact CD1-CD1 3.58Å; Y92-Y204 HydrophobicContact CD1-CD1 3.58Å; Y92-Y204 HydrophobicContact CD1-CD2 4.07Å; Y92-Y204 AromaticContact CD1-CE1 3.97Å; Y92-Y204 HydrophobicContact CD1-CE1 3.97Å; Y92-Y204 HydrophobicContact CD1-CE2 4.4Å; Y92-Y204 AromaticContact CD1-CG 3.62Å; Y92-Y204 HydrophobicContact CD1-CG 3.62Å; Y92-Y204 HydrophobicContact CD2-CG 4.25Å; Y92-Y204 AromaticContact CE1-CD1 3.91Å; Y92-Y204 HydrophobicContact CE1-CD1 3.91Å; Y92-Y204 HydrophobicContact CE1-CE1 4.34Å; Y92-Y204 HydrophobicContact CE1-CG 4.31Å; Y92-Y204 HydrophobicContact CG-CD1 4.06Å; Y92-Y204 AromaticContact CG-CD2 3.98Å; Y92-Y204 HydrophobicContact CG-CD2 3.98Å; Y92-Y204 AromaticContact CG-CG 3.61Å; Y92-Y204 HydrophobicContact CG-CG 3.61Å |
| 93 | K | 98.5 | Very high | 97 | Very high | 87 Ų | 87 | 31.2 Ų | 31.2 | 38% | 0.378 | 15% | 0.148 | S | C | . | . | trans | -60.7 | 141.9 | 168 | -71.8 | 177.2 | 175.4 | 171.8 | 0 | 110 | N70 E71 S91 E95 G138 S140 A153 | N70-K93 CarbonylContact C-O 3.51Å; N70-K93 WeakPolarHBondContact CA-O 3.49Å; E71-K93 HydrophobicContact CB-CB 4.2Å; E71-K93 PolarHBondContact N-O 3.35Å; S91-K93 WeakPolarHBondContact OG-CB 3.47Å; S91-K93 WeakPolarHBondContact OG-CG 3.41Å; S91-K93 PolarHBondContact OG-N 2.65Å; S91-K93 VanDerWaalsContact OG-N 3.13Å; K93-E95 VanDerWaalsContact C-N 3.26Å; K93-E95 PolarHBondContact O-N 3.18Å; K93-E95 VanDerWaalsContact O-N 3.08Å; K93-G138 PolarHBondContact NZ-O 3.29Å; K93-S140 WeakPolarHBondContact CE-OG 3.41Å; K93-S140 PolarHBondContact NZ-OG 3.03Å; K93-A153 HydrophobicContact CD-CB 4.46Å | ||
| 94 | L | 98.6 | Very high | 97.3 | Very high | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -88.9 | 62 | 178.6 | -53.6 | -175.5 | 0 | 0 | 0 | 111.2 | P69 T100 E101 F104 Y204 L208 L211 | P69-L94 HydrophobicContact CB-CD2 4.18Å; P69-L94 HydrophobicContact CG-CD2 4.08Å; L94-T100 CarbonylContact O-C 3.48Å; L94-E101 HydrophobicContact CB-CB 3.92Å; L94-E101 HydrophobicContact CB-CG 4.06Å; L94-E101 HydrophobicContact CD1-CG 3.99Å; L94-E101 HydrophobicContact CG-CG 4.45Å; L94-E101 PolarHBondContact O-N 2.84Å; L94-F104 HydrophobicContact CD1-CD1 3.84Å; L94-F104 HydrophobicContact CD1-CE1 4.17Å; L94-Y204 HydrophobicContact CD2-CE2 3.82Å; L94-L208 HydrophobicContact CD1-CD2 3.79Å; L94-L208 HydrophobicContact CD2-CD2 3.83Å; L94-L211 HydrophobicContact CD1-CD1 3.46Å; L94-L211 VanDerWaalsContact CD1-CD1 3.46Å |
| 95 | E | 97.1 | Very high | 97.6 | Very high | 83 Ų | 83 | 31 Ų | 31 | 39% | 0.388 | 15% | 0.153 | S | C | . | . | trans | -132 | 103.2 | 179.5 | -169.8 | 172.8 | 172.8 | 0 | 0 | 109.6 | E71 K93 S137 G138 | E71-E95 WeakPolarHBondContact CA-O 3.34Å; K93-E95 VanDerWaalsContact C-N 3.26Å; K93-E95 PolarHBondContact O-N 3.18Å; K93-E95 VanDerWaalsContact O-N 3.08Å; E95-S137 PolarHBondContact O-OG 2.77Å; E95-G138 WeakPolarHBondContact OE2-CA 3.38Å | ||
| 96 | S | 95.9 | Very high | 97.8 | Very high | 11 Ų | 11 | 34 Ų | 34 | 8% | 0.077 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -135.8 | 175.8 | -171.7 | 75.8 | 0 | 0 | 0 | 0 | 110.9 | W45 R86 S98 G99 | W45-S96 WeakPolarHBondContact CZ2-OG 3.46Å; R86-S96 PolarHBondContact NH1-OG 3.28Å; S96-S98 PolarHBondContact O-N 2.95Å; S96-S98 PolarHBondContact OG-N 3.16Å; S96-G99 PolarHBondContact N-O 3.22Å; S96-G99 PolarHBondContact O-N 2.72Å; S96-G99 VanDerWaalsContact O-O 3.09Å |
| 97 | R | 94.5 | Very high | 98 | Very high | 35 Ų | 35 | 34 Ų | 34 | 13% | 0.132 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -5.9 | 172.5 | 71.7 | 178.1 | 70.6 | -173.7 | -9.4 | 114.6 | E42 H72 S82 P387 T397 | E42-R97 VanDerWaalsContact OE2-CD 3.23Å; E42-R97 WeakPolarHBondContact OE2-CD 2.95Å; E42-R97 IonicContact OE2-CZ 3.62Å; E42-R97 IonicContact OE2-NE 3.65Å; E42-R97 IonicContact OE2-NH1 2.92Å; E42-R97 PolarHBondContact OE2-NH1 3.49Å; H72-R97 PolarHBondContact NE2-N 3.04Å; S82-R97 PolarHBondContact O-NH1 3.04Å; S82-R97 PolarHBondContact O-NH2 3.21Å; R97-P387 VanDerWaalsContact NH1-CD 3.32Å; R97-T397 PolarHBondContact O-OG1 2.72Å |
| 98 | S | 97.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -18 | 172.5 | -71.2 | 0 | 0 | 0 | 0 | 113.5 | W43 R44 W45 R86 S96 | W43-S98 WeakPolarHBondContact O-CB 3.41Å; W43-S98 PolarHBondContact O-OG 3.13Å; R44-S98 WeakPolarHBondContact CA-O 3.04Å; R44-S98 WeakPolarHBondContact CB-O 3.33Å; W45-S98 VanDerWaalsContact CE2-CB 3.48Å; W45-S98 PolarHBondContact N-O 3.18Å; R86-S98 VanDerWaalsContact NH2-N 3.15Å; R86-S98 PolarHBondContact NH2-OG 3.31Å; S96-S98 PolarHBondContact O-N 2.95Å; S96-S98 PolarHBondContact OG-N 3.16Å |
| 99 | G | 97.6 | Very high | 98.2 | Very high | 14 Ų | 14 | 38 Ų | 38 | 14% | 0.144 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | 145.3 | -165.5 | -177 | 0 | 0 | 0 | 0 | 0 | 115.4 | W45 S96 E103 | W45-G99 VanDerWaalsContact CE3-C 3.48Å; W45-G99 WeakPolarHBondContact CZ3-O 2.98Å; S96-G99 PolarHBondContact N-O 3.22Å; S96-G99 PolarHBondContact O-N 2.72Å; S96-G99 VanDerWaalsContact O-O 3.09Å; G99-E103 VanDerWaalsContact C-OE2 3.3Å; G99-E103 WeakPolarHBondContact CA-OE2 3.41Å |
| 100 | T | 98.1 | Very high | 98.2 | Very high | 51 Ų | 51 | 40.7 Ų | 40.7 | 31% | 0.313 | 20% | 0.197 | S | C | . | . | trans | -99 | 165 | 174 | 77.7 | 0 | 0 | 0 | 0 | 112.9 | W45 L94 E102 E103 F104 | W45-T100 VanDerWaalsContact CZ3-C 3.42Å; W45-T100 WeakPolarHBondContact CZ3-O 3.41Å; L94-T100 CarbonylContact O-C 3.48Å; T100-E102 VanDerWaalsContact CB-OE2 3.25Å; T100-E102 WeakPolarHBondContact CB-OE2 3.3Å; T100-E102 PolarHBondContact O-N 3.07Å; T100-E102 PolarHBondContact OG1-N 3Å; T100-E102 PolarHBondContact OG1-OE2 2.91Å; T100-E103 PolarHBondContact N-OE2 2.73Å; T100-E103 PolarHBondContact O-N 2.78Å; T100-F104 PolarHBondContact O-N 2.76Å | ||
| 101 | E | 98.7 | Very high | 98.2 | Very high | 64 Ų | 64 | 40.6 Ų | 40.6 | 30% | 0.299 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -56.3 | -34.5 | 179.8 | -175.9 | 162.2 | 158.4 | 0 | 0 | 112.8 | L94 F104 T105 H207 L211 | L94-E101 HydrophobicContact CB-CB 3.92Å; L94-E101 HydrophobicContact CB-CG 4.06Å; L94-E101 HydrophobicContact CD1-CG 3.99Å; L94-E101 HydrophobicContact CG-CG 4.45Å; L94-E101 PolarHBondContact O-N 2.84Å; E101-F104 PolarHBondContact O-N 3.03Å; E101-T105 WeakPolarHBondContact O-CB 3.46Å; E101-T105 PolarHBondContact O-N 2.77Å; E101-T105 PolarHBondContact O-OG1 2.76Å; E101-H207 IonicContact OE1-CE1 3.88Å; E101-H207 PolarHBondContact OE1-CE1 3.25Å; E101-H207 IonicContact OE1-NE2 2.88Å; E101-H207 PolarHBondContact OE1-NE2 2.03Å; E101-H207 IonicContact OE2-NE2 3.92Å; E101-L211 HydrophobicContact CG-CD1 4.4Å |
| 102 | E | 98.8 | Very high | 98.2 | Very high | 139 Ų | 139 | 41.7 Ų | 41.7 | 65% | 0.65 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -63.1 | -45.2 | 175.1 | -61.1 | 83.2 | -177.4 | 0 | 0 | 111.8 | T100 F104 T105 D106 | T100-E102 VanDerWaalsContact CB-OE2 3.25Å; T100-E102 WeakPolarHBondContact CB-OE2 3.3Å; T100-E102 PolarHBondContact O-N 3.07Å; T100-E102 PolarHBondContact OG1-N 3Å; T100-E102 PolarHBondContact OG1-OE2 2.91Å; E102-F104 VanDerWaalsContact C-N 3.34Å; E102-T105 PolarHBondContact O-N 2.71Å; E102-D106 WeakPolarHBondContact O-CB 3.37Å; E102-D106 PolarHBondContact O-N 2.87Å |
| 103 | E | 98.8 | Very high | 98.2 | Very high | 56 Ų | 56 | 46.5 Ų | 46.5 | 26% | 0.262 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.9 | -37.3 | 176.5 | -64.6 | 170 | 146 | 0 | 0 | 111.1 | W45 G99 T100 M107 | W45-E103 HydrophobicContact CB-CB 4.35Å; W45-E103 HydrophobicContact CE3-CB 4.19Å; G99-E103 VanDerWaalsContact C-OE2 3.3Å; G99-E103 WeakPolarHBondContact CA-OE2 3.41Å; T100-E103 PolarHBondContact N-OE2 2.73Å; T100-E103 PolarHBondContact O-N 2.78Å; E103-M107 WeakPolarHBondContact O-CB 3.21Å; E103-M107 PolarHBondContact O-N 3.18Å |
| 104 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63 | -45.2 | 173.7 | -172.2 | -116.6 | 0 | 0 | 0 | 112.1 | W45 V66 P69 L94 T100 E101 E102 M107 I108 V120 L208 L211 V213 | W45-F104 AromaticContact CD1-CD2 3.79Å; W45-F104 HydrophobicContact CD2-CB 3.71Å; W45-F104 AromaticContact CD2-CD2 3.71Å; W45-F104 HydrophobicContact CD2-CD2 3.71Å; W45-F104 HydrophobicContact CD2-CG 4.17Å; W45-F104 AromaticContact CE2-CD2 3.38Å; W45-F104 HydrophobicContact CE3-CB 3.51Å; W45-F104 HydrophobicContact CE3-CD2 4.36Å; W45-F104 HydrophobicContact CE3-CG 4.38Å; W45-F104 HydrophobicContact CG-CB 4.34Å; W45-F104 AromaticContact CG-CD2 3.95Å; W45-F104 HydrophobicContact CG-CD2 3.95Å; W45-F104 HydrophobicContact CH2-CB 4.02Å; W45-F104 HydrophobicContact CH2-CD2 4.37Å; W45-F104 HydrophobicContact CH2-CG 4.37Å; W45-F104 HydrophobicContact CZ2-CB 4.24Å; W45-F104 AromaticContact CZ2-CD2 3.76Å; W45-F104 HydrophobicContact CZ2-CD2 3.76Å; W45-F104 HydrophobicContact CZ2-CE2 4.45Å; W45-F104 HydrophobicContact CZ2-CG 4.2Å; W45-F104 HydrophobicContact CZ3-CB 3.66Å; W45-F104 HydrophobicContact CZ3-CG 4.46Å; W45-F104 AromaticContact NE1-CD2 3.47Å; W45-F104 AromaticContact NE1-CE2 3.95Å; V66-F104 HydrophobicContact CG2-CE2 4.25Å; P69-F104 HydrophobicContact CB-CD2 4.44Å; P69-F104 HydrophobicContact CB-CE2 4.12Å; P69-F104 HydrophobicContact CB-CZ 4.26Å; P69-F104 HydrophobicContact CG-CZ 4.39Å; L94-F104 HydrophobicContact CD1-CD1 3.84Å; L94-F104 HydrophobicContact CD1-CE1 4.17Å; T100-F104 PolarHBondContact O-N 2.76Å; E101-F104 PolarHBondContact O-N 3.03Å; E102-F104 VanDerWaalsContact C-N 3.34Å; F104-M107 HydrophobicContact CD2-CE 3.52Å; F104-M107 HydrophobicContact CE2-CE 3.51Å; F104-M107 HydrophobicContact CZ-CE 4.49Å; F104-M107 PolarHBondContact O-N 3.01Å; F104-I108 HydrophobicContact CD1-CD1 3.71Å; F104-I108 HydrophobicContact CE1-CD1 3.36Å; F104-I108 HydrophobicContact CE1-CG1 4.4Å; F104-I108 HydrophobicContact CE2-CD1 4.38Å; F104-I108 HydrophobicContact CG-CD1 4.37Å; F104-I108 HydrophobicContact CZ-CD1 3.74Å; F104-I108 HydrophobicContact CZ-CG1 4.4Å; F104-I108 WeakPolarHBondContact O-CG1 3.41Å; F104-I108 PolarHBondContact O-N 3.4Å; F104-V120 HydrophobicContact CE2-CG2 4.5Å; F104-V120 HydrophobicContact CZ-CG2 3.79Å; F104-L208 HydrophobicContact CD1-CD2 4.46Å; F104-L208 HydrophobicContact CE1-CD2 3.5Å; F104-L208 VanDerWaalsContact CE1-CD2 3.5Å; F104-L208 HydrophobicContact CZ-CD2 4.01Å; F104-L211 HydrophobicContact CD1-CD1 4Å; F104-L211 HydrophobicContact CE1-CD1 4.3Å; F104-V213 HydrophobicContact CE1-CG2 4.05Å; F104-V213 HydrophobicContact CZ-CG2 3.92Å |
| 105 | T | 98.9 | Very high | 98.2 | Very high | 50 Ų | 50 | 44.9 Ų | 44.9 | 31% | 0.307 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.7 | -42.4 | 179.7 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | E101 E102 I108 K109 L211 | E101-T105 WeakPolarHBondContact O-CB 3.46Å; E101-T105 PolarHBondContact O-N 2.77Å; E101-T105 PolarHBondContact O-OG1 2.76Å; E102-T105 PolarHBondContact O-N 2.71Å; T105-I108 PolarHBondContact O-N 2.9Å; T105-K109 PolarHBondContact O-N 2.77Å; T105-K109 VanDerWaalsContact O-N 3.1Å; T105-L211 HydrophobicContact CG2-CD2 4.21Å |
| 106 | D | 98.9 | Very high | 98.3 | Very high | 64 Ų | 64 | 41 Ų | 41 | 34% | 0.342 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.4 | -45.6 | 174.4 | -174.4 | 65.6 | 0 | 0 | 0 | 111.5 | E102 I108 K109 R110 | E102-D106 WeakPolarHBondContact O-CB 3.37Å; E102-D106 PolarHBondContact O-N 2.87Å; D106-I108 PolarHBondContact O-N 2.84Å; D106-K109 PolarHBondContact O-N 2.83Å; D106-R110 WeakPolarHBondContact O-CB 3.42Å; D106-R110 WeakPolarHBondContact O-CG 3.42Å; D106-R110 PolarHBondContact O-N 2.84Å; D106-R110 WeakPolarHBondContact OD2-CD 3.38Å; D106-R110 IonicContact OD2-CZ 2.8Å; D106-R110 IonicContact OD2-NE 2.65Å; D106-R110 IonicContact OD2-NH1 3.31Å; D106-R110 PolarHBondContact OD2-NH1 3.29Å |
| 107 | M | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.7 | -47 | 177.4 | 177.5 | -81.2 | -64.4 | 0 | 0 | 112.5 | W45 I48 A49 V66 E103 F104 K109 R110 C111 I118 | W45-M107 HydrophobicContact CB-CB 3.94Å; W45-M107 HydrophobicContact CB-CG 4.28Å; W45-M107 HydrophobicContact CG-CE 4.42Å; W45-M107 WeakPolarHBondContact O-CB 3.39Å; W45-M107 WeakPolarHBondContact O-CG 3.42Å; I48-M107 HydrophobicContact CB-CG 3.83Å; I48-M107 HydrophobicContact CB-SD 4.39Å; I48-M107 HydrophobicContact CG2-CG 3.66Å; I48-M107 HydrophobicContact CG2-SD 3.65Å; A49-M107 HydrophobicContact CB-CB 4.04Å; A49-M107 HydrophobicContact CB-CG 4.09Å; V66-M107 HydrophobicContact CG1-CE 4.24Å; E103-M107 WeakPolarHBondContact O-CB 3.21Å; E103-M107 PolarHBondContact O-N 3.18Å; F104-M107 HydrophobicContact CD2-CE 3.52Å; F104-M107 HydrophobicContact CE2-CE 3.51Å; F104-M107 HydrophobicContact CZ-CE 4.49Å; F104-M107 PolarHBondContact O-N 3.01Å; M107-K109 VanDerWaalsContact C-N 3.34Å; M107-K109 PolarHBondContact O-N 2.94Å; M107-R110 PolarHBondContact O-N 3.21Å; M107-C111 WeakPolarHBondContact O-CB 3.15Å; M107-C111 PolarHBondContact O-N 2.79Å; M107-C111 PolarHBondContact O-SG 3.24Å; M107-I118 HydrophobicContact CE-CD1 4.32Å; M107-I118 HydrophobicContact CE-CG1 4.25Å; M107-I118 HydrophobicContact CE-CG2 4.14Å; M107-I118 HydrophobicContact SD-CD1 3.39Å; M107-I118 WeakPolarHBondContact SD-CD1 3.39Å; M107-I118 HydrophobicContact SD-CG1 3.66Å |
| 108 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.3 | -49 | 177 | -70.8 | 163.8 | 0 | 0 | 0 | 110.4 | F104 T105 D106 C111 H112 I118 L211 V213 | F104-I108 HydrophobicContact CD1-CD1 3.71Å; F104-I108 HydrophobicContact CE1-CD1 3.36Å; F104-I108 HydrophobicContact CE1-CG1 4.4Å; F104-I108 HydrophobicContact CE2-CD1 4.38Å; F104-I108 HydrophobicContact CG-CD1 4.37Å; F104-I108 HydrophobicContact CZ-CD1 3.74Å; F104-I108 HydrophobicContact CZ-CG1 4.4Å; F104-I108 WeakPolarHBondContact O-CG1 3.41Å; F104-I108 PolarHBondContact O-N 3.4Å; T105-I108 PolarHBondContact O-N 2.9Å; D106-I108 PolarHBondContact O-N 2.84Å; I108-C111 PolarHBondContact O-N 3.02Å; I108-H112 WeakPolarHBondContact O-CB 3.29Å; I108-H112 PolarHBondContact O-CD2 2.83Å; I108-H112 VanDerWaalsContact O-CD2 3.25Å; I108-H112 PolarHBondContact O-N 2.83Å; I108-I118 HydrophobicContact CG1-CB 4.28Å; I108-I118 HydrophobicContact CG1-CG1 3.99Å; I108-I118 HydrophobicContact CG1-CG2 4.39Å; I108-L211 HydrophobicContact CD1-CB 3.99Å; I108-L211 VanDerWaalsContact CG2-O 3.28Å; I108-L211 WeakPolarHBondContact CG2-O 3.49Å; I108-V213 HydrophobicContact CD1-CG2 3.72Å |
| 109 | K | 98.9 | Very high | 98.7 | Very high | 110 Ų | 110 | 40 Ų | 40 | 48% | 0.478 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.9 | -50.4 | -178.3 | -177.1 | -173.2 | 171.5 | -163.5 | 0 | 111.5 | T105 D106 M107 H112 E113 | T105-K109 PolarHBondContact O-N 2.77Å; T105-K109 VanDerWaalsContact O-N 3.1Å; D106-K109 PolarHBondContact O-N 2.83Å; M107-K109 VanDerWaalsContact C-N 3.34Å; M107-K109 PolarHBondContact O-N 2.94Å; K109-H112 WeakPolarHBondContact O-CB 3.41Å; K109-H112 PolarHBondContact O-N 2.62Å; K109-E113 VanDerWaalsContact CE-OE1 3.28Å; K109-E113 WeakPolarHBondContact CE-OE1 3.2Å; K109-E113 WeakPolarHBondContact O-CG 3.37Å; K109-E113 PolarHBondContact O-N 2.81Å |
| 110 | R | 98.9 | Very high | 98.8 | Very high | 55 Ų | 55 | 39.3 Ų | 39.3 | 21% | 0.208 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.4 | -39 | -177.9 | -72.7 | 168.3 | 65.1 | -163.5 | -4.4 | 112.6 | A49 E53 D106 M107 H112 E113 | A49-R110 HydrophobicContact CB-CB 4.29Å; E53-R110 WeakPolarHBondContact OE1-CB 3.21Å; E53-R110 IonicContact OE1-CZ 3.83Å; E53-R110 IonicContact OE1-NE 3.39Å; E53-R110 PolarHBondContact OE1-NE 3.24Å; E53-R110 IonicContact OE1-NH2 2.93Å; E53-R110 PolarHBondContact OE1-NH2 3.08Å; E53-R110 IonicContact OE2-CZ 2.72Å; E53-R110 IonicContact OE2-NE 3.46Å; E53-R110 IonicContact OE2-NH2 3.28Å; E53-R110 PolarHBondContact OE2-NH2 3.47Å; D106-R110 WeakPolarHBondContact O-CB 3.42Å; D106-R110 WeakPolarHBondContact O-CG 3.42Å; D106-R110 PolarHBondContact O-N 2.84Å; D106-R110 WeakPolarHBondContact OD2-CD 3.38Å; D106-R110 IonicContact OD2-CZ 2.8Å; D106-R110 IonicContact OD2-NE 2.65Å; D106-R110 IonicContact OD2-NH1 3.31Å; D106-R110 PolarHBondContact OD2-NH1 3.29Å; M107-R110 PolarHBondContact O-N 3.21Å; R110-H112 VanDerWaalsContact C-N 3.34Å; R110-H112 PolarHBondContact O-N 2.88Å; R110-E113 PolarHBondContact O-N 3.08Å |
| 111 | C | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.9 | -41 | 172.4 | -70.4 | 0 | 0 | 0 | 0 | 111.7 | C52 M107 I108 E113 V114 G115 I116 I118 | C52-C111 HydrophobicContact CB-CB 3.85Å; C52-C111 WeakPolarHBondContact CB-SG 3.35Å; C52-C111 WeakPolarHBondContact SG-CB 3.33Å; C52-C111 CovalentContact SG-SG 2.05Å; C52-C111 PolarHBondContact SG-SG 2.87Å; M107-C111 WeakPolarHBondContact O-CB 3.15Å; M107-C111 PolarHBondContact O-N 2.79Å; M107-C111 PolarHBondContact O-SG 3.24Å; I108-C111 PolarHBondContact O-N 3.02Å; C111-E113 PolarHBondContact O-N 2.95Å; C111-V114 CarbonylContact O-C 3.58Å; C111-V114 VanDerWaalsContact O-CG2 3.3Å; C111-V114 WeakPolarHBondContact O-CG2 3.49Å; C111-V114 PolarHBondContact O-N 2.93Å; C111-G115 PolarHBondContact O-N 2.79Å; C111-I116 CarbonylContact C-O 3.56Å; C111-I116 HydrophobicContact CB-CB 4.08Å; C111-I116 HydrophobicContact CB-CG2 4.33Å; C111-I116 PolarHBondContact O-N 3.12Å; C111-I118 HydrophobicContact CB-CD1 3.98Å; C111-I118 HydrophobicContact CB-CG1 4.4Å |
| 112 | H | 98.6 | Very high | 98.8 | Very high | 22 Ų | 22 | 33.8 Ų | 33.8 | 10% | 0.102 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.2 | -39.5 | 175.1 | -90 | -65.2 | 0 | 0 | 0 | 113.4 | I108 K109 R110 V114 G115 I116 K117 G212 F243 F244 | I108-H112 WeakPolarHBondContact O-CB 3.29Å; I108-H112 PolarHBondContact O-CD2 2.83Å; I108-H112 VanDerWaalsContact O-CD2 3.25Å; I108-H112 PolarHBondContact O-N 2.83Å; K109-H112 WeakPolarHBondContact O-CB 3.41Å; K109-H112 PolarHBondContact O-N 2.62Å; R110-H112 VanDerWaalsContact C-N 3.34Å; R110-H112 PolarHBondContact O-N 2.88Å; H112-V114 PolarHBondContact O-N 3.37Å; H112-V114 VanDerWaalsContact O-N 3.13Å; H112-G115 PolarHBondContact O-N 2.87Å; H112-I116 PolarHBondContact N-O 2.89Å; H112-K117 WeakPolarHBondContact CE1-CD 3.21Å; H112-G212 PolarHBondContact NE2-O 2.96Å; H112-F243 HydrophobicContact CB-CD1 3.88Å; H112-F243 HydrophobicContact CB-CE1 4.36Å; H112-F243 AromaticContact CD2-CD1 3.32Å; H112-F243 WeakPolarHBondContact CD2-CD1 3.25Å; H112-F243 AromaticContact CD2-CE1 3.91Å; H112-F243 AromaticContact CD2-CG 3.76Å; H112-F243 AromaticContact CG-CD1 3.59Å; H112-F243 AromaticContact NE2-CD1 3.86Å; H112-F243 AromaticContact NE2-CG 3.8Å; H112-F244 AromaticContact CE1-CE1 3.96Å; H112-F244 AromaticContact CE1-CE2 3.69Å; H112-F244 AromaticContact CE1-CZ 3.37Å; H112-F244 WeakPolarHBondContact CE1-CZ 3.27Å; H112-F244 AromaticContact NE2-CE2 3.82Å; H112-F244 AromaticContact NE2-CZ 3.77Å |
| 113 | E | 98.7 | Very high | 98.8 | Very high | 129 Ų | 129 | 27.2 Ų | 27.2 | 60% | 0.603 | 14% | 0.137 | S | C | * | . | H | α-helix | trans | -57.3 | -26.8 | 177.8 | -74.1 | 176.5 | -173 | 0 | 0 | 112.7 | K109 R110 C111 | K109-E113 VanDerWaalsContact CE-OE1 3.28Å; K109-E113 WeakPolarHBondContact CE-OE1 3.2Å; K109-E113 WeakPolarHBondContact O-CG 3.37Å; K109-E113 PolarHBondContact O-N 2.81Å; R110-E113 PolarHBondContact O-N 3.08Å; C111-E113 PolarHBondContact O-N 2.95Å |
| 114 | V | 98.6 | Very high | 98.8 | Very high | 34 Ų | 34 | 24.6 Ų | 24.6 | 21% | 0.206 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 15.9 | 177.1 | -58.1 | 0 | 0 | 0 | 0 | 113.5 | C52 E53 Q57 C111 H112 I116 | C52-V114 HydrophobicContact CB-CG2 3.95Å; E53-V114 HydrophobicContact CG-CG1 4.32Å; Q57-V114 HydrophobicContact CB-CB 3.89Å; Q57-V114 HydrophobicContact CB-CG2 4.23Å; C111-V114 CarbonylContact O-C 3.58Å; C111-V114 VanDerWaalsContact O-CG2 3.3Å; C111-V114 WeakPolarHBondContact O-CG2 3.49Å; C111-V114 PolarHBondContact O-N 2.93Å; H112-V114 PolarHBondContact O-N 3.37Å; H112-V114 VanDerWaalsContact O-N 3.13Å; V114-I116 HydrophobicContact CG2-CG1 4.08Å; V114-I116 PolarHBondContact O-N 3.14Å |
| 115 | G | 98.1 | Very high | 98.8 | Very high | 23 Ų | 23 | 24.7 Ų | 24.7 | 24% | 0.237 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.4 | -3.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | C111 H112 K117 | C111-G115 PolarHBondContact O-N 2.79Å; H112-G115 PolarHBondContact O-N 2.87Å; G115-K117 PolarHBondContact O-NZ 3.25Å |
| 116 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | P | Polyproline II helix | trans | -83.3 | 134.9 | -177.4 | -55.9 | -62.5 | 0 | 0 | 0 | 111.3 | C52 L56 I61 G62 V64 C111 H112 V114 | C52-I116 HydrophobicContact CB-CB 4.46Å; C52-I116 HydrophobicContact CB-CG1 4.37Å; L56-I116 HydrophobicContact CB-CD1 3.98Å; L56-I116 HydrophobicContact CB-CG1 4.19Å; I61-I116 WeakPolarHBondContact O-CD1 3.41Å; G62-I116 CarbonylContact O-C 3.54Å; G62-I116 WeakPolarHBondContact O-CA 3.3Å; V64-I116 HydrophobicContact CG2-CG2 3.76Å; C111-I116 CarbonylContact C-O 3.56Å; C111-I116 HydrophobicContact CB-CB 4.08Å; C111-I116 HydrophobicContact CB-CG2 4.33Å; C111-I116 PolarHBondContact O-N 3.12Å; H112-I116 PolarHBondContact N-O 2.89Å; V114-I116 HydrophobicContact CG2-CG1 4.08Å; V114-I116 PolarHBondContact O-N 3.14Å |
| 117 | K | 98.9 | Very high | 98.7 | Very high | 26 Ų | 26 | 19.4 Ų | 19.4 | 11% | 0.113 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 145.5 | -177.6 | -57.5 | -59.7 | 174.2 | -92.2 | 0 | 111.7 | Q29 V30 G62 A63 V64 H112 G115 A214 F244 | Q29-K117 WeakPolarHBondContact O-CG 3.48Å; V30-K117 HydrophobicContact CG1-CB 4.09Å; V30-K117 HydrophobicContact CG1-CG 3.59Å; G62-K117 PolarHBondContact O-N 2.95Å; A63-K117 CarbonylContact C-O 3.52Å; A63-K117 WeakPolarHBondContact CA-O 3.15Å; A63-K117 HydrophobicContact CB-CB 4.15Å; V64-K117 PolarHBondContact N-O 3.23Å; H112-K117 WeakPolarHBondContact CE1-CD 3.21Å; G115-K117 PolarHBondContact O-NZ 3.25Å; K117-A214 HydrophobicContact CB-CB 3.78Å; K117-A214 HydrophobicContact CG-CB 4.46Å; K117-F244 HydrophobicContact CD-CE1 3.72Å; K117-F244 HydrophobicContact CD-CZ 4.08Å |
| 118 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 127.3 | -179.9 | -57.3 | -52.3 | 0 | 0 | 0 | 110.1 | V64 V66 M107 I108 C111 V213 A214 | V64-I118 HydrophobicContact CB-CD1 3.97Å; V66-I118 HydrophobicContact CG1-CG2 4.07Å; V66-I118 HydrophobicContact CG2-CG2 4.21Å; M107-I118 HydrophobicContact CE-CD1 4.32Å; M107-I118 HydrophobicContact CE-CG1 4.25Å; M107-I118 HydrophobicContact CE-CG2 4.14Å; M107-I118 HydrophobicContact SD-CD1 3.39Å; M107-I118 WeakPolarHBondContact SD-CD1 3.39Å; M107-I118 HydrophobicContact SD-CG1 3.66Å; I108-I118 HydrophobicContact CG1-CB 4.28Å; I108-I118 HydrophobicContact CG1-CG1 3.99Å; I108-I118 HydrophobicContact CG1-CG2 4.39Å; C111-I118 HydrophobicContact CB-CD1 3.98Å; C111-I118 HydrophobicContact CB-CG1 4.4Å; I118-V213 HydrophobicContact CG2-CG2 4.49Å; I118-A214 WeakPolarHBondContact O-CB 3.47Å; I118-A214 PolarHBondContact O-N 3.4Å |
| 119 | I | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.01 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 126.8 | 172.5 | -59.9 | 167 | 0 | 0 | 0 | 107.2 | L28 V37 A63 V64 Q65 V66 G215 F251 | L28-I119 HydrophobicContact CD1-CD1 3.56Å; V37-I119 HydrophobicContact CG1-CD1 4.19Å; V37-I119 HydrophobicContact CG2-CD1 4.4Å; A63-I119 HydrophobicContact CB-CD1 3.86Å; A63-I119 HydrophobicContact CB-CG1 4.39Å; V64-I119 PolarHBondContact O-N 2.92Å; Q65-I119 CarbonylContact C-O 3.52Å; Q65-I119 VanDerWaalsContact CA-O 3.28Å; Q65-I119 WeakPolarHBondContact CA-O 3.24Å; V66-I119 PolarHBondContact N-O 3.44Å; I119-G215 WeakPolarHBondContact CA-O 3.41Å; I119-F251 HydrophobicContact CD1-CD1 3.87Å; I119-F251 HydrophobicContact CD1-CE1 4.16Å; I119-F251 HydrophobicContact CG1-CD1 4.37Å |
| 120 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 132.3 | -179.8 | 164.3 | 0 | 0 | 0 | 0 | 110.6 | V66 P69 F104 A122 L208 V213 G215 F216 R217 | V66-V120 HydrophobicContact CG2-CB 4.46Å; V66-V120 HydrophobicContact CG2-CG2 3.87Å; P69-V120 HydrophobicContact CG-CG1 3.75Å; P69-V120 HydrophobicContact CG-CG2 4.27Å; F104-V120 HydrophobicContact CE2-CG2 4.5Å; F104-V120 HydrophobicContact CZ-CG2 3.79Å; V120-A122 PolarHBondContact O-N 2.96Å; V120-L208 HydrophobicContact CB-CD1 4.36Å; V120-L208 HydrophobicContact CG1-CD1 3.92Å; V120-L208 HydrophobicContact CG2-CD1 4.34Å; V120-L208 HydrophobicContact CG2-CD2 4.47Å; V120-V213 HydrophobicContact CB-CG1 4.23Å; V120-V213 HydrophobicContact CG2-CG1 3.82Å; V120-V213 HydrophobicContact CG2-CG2 3.82Å; V120-G215 PolarHBondContact N-O 2.92Å; V120-F216 HydrophobicContact CB-CD1 3.92Å; V120-F216 HydrophobicContact CB-CE1 4.21Å; V120-F216 HydrophobicContact CG1-CD1 4.31Å; V120-F216 CarbonylContact O-C 3.57Å; V120-F216 VanDerWaalsContact O-CA 3.24Å; V120-F216 WeakPolarHBondContact O-CA 3.36Å; V120-R217 PolarHBondContact O-N 2.79Å |
| 121 | D | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 109.3 | 163.7 | -159.9 | -16.3 | 0 | 0 | 0 | 109.5 | Q65 V66 P68 Y87 R217 | Q65-D121 PolarHBondContact NE2-OD2 2.94Å; V66-D121 WeakPolarHBondContact O-CB 3.25Å; V66-D121 PolarHBondContact O-N 2.85Å; P68-D121 VanDerWaalsContact CA-O 3.23Å; P68-D121 WeakPolarHBondContact CA-O 3.3Å; P68-D121 WeakPolarHBondContact CB-O 3.48Å; P68-D121 HydrophobicContact CG-CB 4.09Å; Y87-D121 WeakPolarHBondContact CE1-OD2 3.5Å; Y87-D121 PolarHBondContact OH-OD2 2.99Å; D121-R217 VanDerWaalsContact CG-NH1 3.34Å; D121-R217 WeakPolarHBondContact OD1-CD 3.42Å; D121-R217 IonicContact OD1-CZ 3.83Å; D121-R217 IonicContact OD1-NE 3.54Å; D121-R217 IonicContact OD1-NH1 2.65Å; D121-R217 PolarHBondContact OD1-NH1 2.69Å; D121-R217 IonicContact OD2-CZ 2.74Å; D121-R217 IonicContact OD2-NH1 2.87Å; D121-R217 PolarHBondContact OD2-NH1 3.29Å |
| 122 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 107.7 | -168.6 | 0 | 0 | 0 | 0 | 0 | 111 | V120 I124 L205 F216 R217 I218 D219 | V120-A122 PolarHBondContact O-N 2.96Å; A122-I124 HydrophobicContact CB-CG2 4.33Å; A122-I124 PolarHBondContact O-N 3.2Å; A122-L205 HydrophobicContact CB-CD2 4.02Å; A122-F216 HydrophobicContact CB-CB 4.28Å; A122-F216 HydrophobicContact CB-CD1 4.26Å; A122-R217 PolarHBondContact N-O 3.03Å; A122-I218 HydrophobicContact CB-CD1 4.22Å; A122-D219 WeakPolarHBondContact O-CB 3.41Å; A122-D219 PolarHBondContact O-N 3.43Å |
| 123 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -86.9 | 101.3 | 174.5 | -172.8 | 0 | 0 | 0 | 0 | 109.4 | P68 Y87 P89 H126 D219 | P68-V123 HydrophobicContact CB-CG2 4.04Å; P68-V123 HydrophobicContact CG-CG2 3.62Å; Y87-V123 HydrophobicContact CD1-CG2 3.74Å; Y87-V123 HydrophobicContact CE1-CG2 4.41Å; Y87-V123 HydrophobicContact CG-CG2 4.4Å; P89-V123 HydrophobicContact CG-CB 3.8Å; P89-V123 HydrophobicContact CG-CG1 3.67Å; V123-H126 VanDerWaalsContact CG1-NE2 3.3Å; V123-H126 WeakPolarHBondContact CG1-NE2 3.46Å; V123-D219 HydrophobicContact CB-CB 4.49Å; V123-D219 HydrophobicContact CG2-CB 3.98Å | ||
| 124 | I | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | trans | -126.8 | -4.4 | -175.5 | 65.5 | 167.1 | 0 | 0 | 0 | 113.7 | A122 L190 V201 I218 M224 I232 | A122-I124 HydrophobicContact CB-CG2 4.33Å; A122-I124 PolarHBondContact O-N 3.2Å; I124-L190 WeakPolarHBondContact O-CD1 3.33Å; I124-V201 HydrophobicContact CB-CG1 3.79Å; I124-V201 HydrophobicContact CB-CG2 4.45Å; I124-V201 HydrophobicContact CD1-CG1 4.09Å; I124-V201 HydrophobicContact CG2-CG1 3.56Å; I124-I218 HydrophobicContact CD1-CD1 4.2Å; I124-I218 HydrophobicContact CD1-CG2 3.89Å; I124-I218 HydrophobicContact CG1-CG2 3.99Å; I124-M224 HydrophobicContact CD1-CE 4.33Å; I124-M224 HydrophobicContact CD1-SD 4.23Å; I124-M224 HydrophobicContact CG1-CE 3.86Å; I124-M224 HydrophobicContact CG1-SD 3.86Å; I124-I232 HydrophobicContact CD1-CD1 4.23Å | ||
| 125 | N | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -76.6 | -39.4 | 174.7 | -177.3 | 91.1 | 0 | 0 | 0 | 112.1 | D189 L190 A220 H223 M224 | N125-D189 PolarHBondContact ND2-OD1 2.8Å; N125-L190 WeakPolarHBondContact O-CB 3.3Å; N125-L190 PolarHBondContact O-N 3.27Å; N125-A220 HydrophobicContact CB-CB 4.07Å; N125-H223 VanDerWaalsContact OD1-CB 3.24Å; N125-H223 WeakPolarHBondContact OD1-CB 3.47Å; N125-H223 PolarHBondContact OD1-O 3.03Å; N125-H223 VanDerWaalsContact OD1-O 3.05Å; N125-M224 HydrophobicContact CB-CE 4.06Å; N125-M224 HydrophobicContact CB-CG 3.88Å; N125-M224 HydrophobicContact CB-SD 3.89Å; N125-M224 WeakPolarHBondContact OD1-CG 3.35Å |
| 126 | H | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 1% | 0.014 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 171.2 | -167.9 | 58.7 | -99.2 | 0 | 0 | 0 | 112.1 | Y87 V123 L187 M188 D219 | Y87-H126 PolarHBondContact O-NE2 3.45Å; V123-H126 VanDerWaalsContact CG1-NE2 3.3Å; V123-H126 WeakPolarHBondContact CG1-NE2 3.46Å; H126-L187 HydrophobicContact CB-CB 3.84Å; H126-L187 WeakPolarHBondContact NE2-CD1 3.38Å; H126-M188 CarbonylContact C-O 3.54Å; H126-M188 WeakPolarHBondContact CA-O 3.48Å; H126-M188 VanDerWaalsContact CB-O 3.29Å; H126-M188 WeakPolarHBondContact CB-O 3.13Å; H126-D219 IonicContact CE1-OD2 2.77Å |
| 127 | M | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | -150.6 | 172.9 | -59.1 | -66.4 | -70.3 | 0 | 0 | 110.2 | P89 Y151 V154 Y156 F161 M188 L190 | P89-M127 HydrophobicContact CB-CE 4.02Å; P89-M127 HydrophobicContact CB-SD 3.86Å; P89-M127 CarbonylContact O-C 3.47Å; M127-Y151 HydrophobicContact CB-CE1 3.96Å; M127-Y151 HydrophobicContact CB-CE2 4.48Å; M127-Y151 HydrophobicContact CE-CD1 3.86Å; M127-Y151 HydrophobicContact CE-CE1 4.05Å; M127-Y151 HydrophobicContact CE-CG 4.34Å; M127-V154 HydrophobicContact CE-CG1 3.85Å; M127-Y156 HydrophobicContact CE-CD2 4.21Å; M127-Y156 HydrophobicContact CE-CE2 4.39Å; M127-Y156 HydrophobicContact CG-CD2 4.48Å; M127-Y156 HydrophobicContact SD-CD2 4.28Å; M127-Y156 HydrophobicContact SD-CE2 4.09Å; M127-F161 HydrophobicContact CB-CE1 4.07Å; M127-F161 HydrophobicContact CB-CZ 4.42Å; M127-F161 HydrophobicContact CG-CE1 3.72Å; M127-F161 HydrophobicContact CG-CZ 3.97Å; M127-M188 HydrophobicContact CB-CB 4.29Å; M127-M188 PolarHBondContact N-O 2.64Å; M127-L190 HydrophobicContact CG-CD1 4.21Å; M127-L190 HydrophobicContact CG-CD2 3.87Å; M127-L190 HydrophobicContact CG-CG 4.07Å; M127-L190 HydrophobicContact SD-CD1 4.19Å |
| 128 | T | 97.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 162.1 | 178.4 | 62 | 0 | 0 | 0 | 0 | 114.2 | I73 P89 V90 Y142 S144 Y151 M188 | I73-T128 HydrophobicContact CB-CG2 4.04Å; I73-T128 HydrophobicContact CD1-CG2 3.98Å; I73-T128 HydrophobicContact CG1-CG2 4.29Å; P89-T128 WeakPolarHBondContact O-CG2 3.5Å; P89-T128 PolarHBondContact O-N 3.08Å; V90-T128 HydrophobicContact CG2-CG2 3.52Å; T128-Y142 HydrophobicContact CG2-CD2 3.87Å; T128-Y142 HydrophobicContact CG2-CE2 3.89Å; T128-Y142 HydrophobicContact CG2-CG 4.32Å; T128-S144 VanDerWaalsContact OG1-CB 3.26Å; T128-S144 WeakPolarHBondContact OG1-CB 3.42Å; T128-Y151 HydrophobicContact CG2-CE1 4.11Å; T128-Y151 PolarHBondContact OG1-OH 3.12Å; T128-M188 WeakPolarHBondContact O-CB 3.36Å; T128-M188 VanDerWaalsContact O-CG 3.24Å; T128-M188 WeakPolarHBondContact O-CG 3.33Å; T128-M188 PolarHBondContact O-N 3.03Å |
| 129 | A | 95.4 | Very high | 97.4 | Very high | 12 Ų | 12 | 27.2 Ų | 27.2 | 10% | 0.099 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 146.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112 | M132 S144 S186 L187 | A129-M132 HydrophobicContact CB-SD 3.89Å; A129-S144 VanDerWaalsContact O-CB 3.3Å; A129-S144 WeakPolarHBondContact O-CB 3.31Å; A129-S144 PolarHBondContact O-OG 3.07Å; A129-S186 CarbonylContact C-O 3.56Å; A129-S186 WeakPolarHBondContact CA-O 3.21Å; A129-L187 HydrophobicContact CB-CD2 4.37Å |
| 130 | A | 95.4 | Very high | 97.4 | Very high | 14 Ų | 14 | 27.3 Ų | 27.3 | 12% | 0.116 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -66.7 | 157.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | M132 S144 S186 M188 | A130-M132 VanDerWaalsContact C-N 3.3Å; A130-M132 PolarHBondContact O-N 2.76Å; A130-S144 CarbonylContact C-O 3.55Å; A130-S144 WeakPolarHBondContact CA-O 3.4Å; A130-S186 WeakPolarHBondContact CB-O 3.26Å; A130-S186 PolarHBondContact N-O 3.16Å; A130-M188 HydrophobicContact CB-SD 3.49Å; A130-M188 WeakPolarHBondContact CB-SD 3.31Å |
| 131 | N | 95.8 | Very high | 97.3 | Very high | 113 Ų | 113 | 31.8 Ų | 31.8 | 60% | 0.604 | 18% | 0.18 | S | C | * | . | S | Bend | trans | 59.2 | 34.9 | 178.4 | -57.3 | -67.4 | 0 | 0 | 0 | 114.3 | S144 P146 | N131-S144 PolarHBondContact N-O 2.96Å; N131-P146 WeakPolarHBondContact OD1-CD 3.31Å |
| 132 | M | 95 | Very high | 97.3 | Very high | 50 Ų | 50 | 32.1 Ų | 32.1 | 25% | 0.246 | 18% | 0.181 | C | C | . | . | trans | -119.7 | 157.7 | 176.2 | -61.4 | -165.2 | 71.2 | 0 | 0 | 110.9 | I73 F75 A129 A130 Y142 S144 | I73-M132 HydrophobicContact CD1-CB 4.43Å; I73-M132 HydrophobicContact CD1-CE 3.7Å; I73-M132 HydrophobicContact CD1-SD 3.56Å; I73-M132 VanDerWaalsContact CD1-SD 3.56Å; F75-M132 HydrophobicContact CD1-CE 3.77Å; F75-M132 HydrophobicContact CE1-CE 3.59Å; F75-M132 HydrophobicContact CE1-SD 4.11Å; F75-M132 HydrophobicContact CG-CE 4.36Å; F75-M132 HydrophobicContact CZ-CE 4.04Å; F75-M132 HydrophobicContact CZ-SD 4.39Å; A129-M132 HydrophobicContact CB-SD 3.89Å; A130-M132 VanDerWaalsContact C-N 3.3Å; A130-M132 PolarHBondContact O-N 2.76Å; M132-Y142 HydrophobicContact CB-CE2 3.88Å; M132-S144 WeakPolarHBondContact CA-OG 3.46Å; M132-S144 WeakPolarHBondContact CB-OG 3.49Å; M132-S144 PolarHBondContact N-OG 3.16Å; M132-S144 PolarHBondContact O-N 2.78Å; M132-S144 PolarHBondContact O-OG 2.71Å; M132-S144 VanDerWaalsContact O-OG 3.05Å | ||
| 133 | Q | 96.5 | Very high | 97.3 | Very high | 127 Ų | 127 | 33.4 Ų | 33.4 | 59% | 0.593 | 19% | 0.188 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -150 | 147.1 | 170.9 | 60.9 | 179.5 | 39.8 | 0 | 0 | 109 | Y142 N143 | Q133-Y142 VanDerWaalsContact CA-O 3.25Å; Q133-Y142 WeakPolarHBondContact CA-O 3.26Å; Q133-N143 HydrophobicContact CB-CB 4.45Å |
| 134 | G | 96.6 | Very high | 97.2 | Very high | 24 Ų | 24 | 33.4 Ų | 33.4 | 25% | 0.247 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 164 | -158.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y141 Y142 | G134-Y141 WeakPolarHBondContact O-CA 3.21Å; G134-Y141 WeakPolarHBondContact O-CD2 3.13Å; G134-Y142 VanDerWaalsContact C-CE1 3.42Å; G134-Y142 PolarHBondContact N-O 3.17Å; G134-Y142 VanDerWaalsContact N-O 3.09Å; G134-Y142 VanDerWaalsContact O-CD1 3.24Å; G134-Y142 WeakPolarHBondContact O-CD1 3.39Å; G134-Y142 WeakPolarHBondContact O-CE1 3.47Å; G134-Y142 PolarHBondContact O-N 2.95Å |
| 135 | Q | 97.2 | Very high | 97.1 | Very high | 133 Ų | 133 | 35.3 Ų | 35.3 | 62% | 0.621 | 20% | 0.2 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 138.6 | 173.7 | -70.7 | 177.9 | -30.6 | 0 | 0 | 109.6 | S140 | Q135-S140 CarbonylContact C-O 3.52Å; Q135-S140 VanDerWaalsContact CA-O 3.31Å; Q135-S140 WeakPolarHBondContact CA-O 3.44Å |
| 136 | G | 97.3 | Very high | 96.9 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 8% | 0.082 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -76.2 | 178.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E71 H72 G138 G139 S140 | E71-G136 VanDerWaalsContact OE1-C 3.26Å; E71-G136 VanDerWaalsContact OE1-CA 3.27Å; E71-G136 WeakPolarHBondContact OE1-CA 3.49Å; H72-G136 CarbonylContact O-C 3.55Å; H72-G136 VanDerWaalsContact O-CA 3.29Å; H72-G136 WeakPolarHBondContact O-CA 3.48Å; G136-G138 PolarHBondContact O-N 3.19Å; G136-G139 PolarHBondContact O-N 3.31Å; G136-S140 PolarHBondContact N-O 3.02Å |
| 137 | S | 96.3 | Very high | 96.8 | Very high | 32 Ų | 32 | 42 Ų | 42 | 22% | 0.224 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -24.2 | 178.5 | 49.7 | 0 | 0 | 0 | 0 | 114.3 | H72 E95 | H72-S137 PolarHBondContact N-OG 2.8Å; H72-S137 PolarHBondContact O-N 2.93Å; H72-S137 PolarHBondContact O-OG 3.46Å; E95-S137 PolarHBondContact O-OG 2.77Å |
| 138 | G | 96.8 | Very high | 96.7 | Very high | 7 Ų | 7 | 49 Ų | 49 | 7% | 0.072 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 24.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | E71 K93 E95 G136 S140 | E71-G138 VanDerWaalsContact CG-N 3.34Å; E71-G138 VanDerWaalsContact OE1-CA 3.27Å; E71-G138 WeakPolarHBondContact OE1-CA 3.42Å; E71-G138 PolarHBondContact OE1-N 2.84Å; K93-G138 PolarHBondContact NZ-O 3.29Å; E95-G138 WeakPolarHBondContact OE2-CA 3.38Å; G136-G138 PolarHBondContact O-N 3.19Å; G138-S140 PolarHBondContact O-N 2.62Å |
| 139 | G | 97.4 | Very high | 96.6 | Very high | 43 Ų | 43 | 49.3 Ų | 49.3 | 44% | 0.443 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 73.8 | 2.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | E71 G136 | E71-G139 PolarHBondContact OE1-N 3.03Å; E71-G139 VanDerWaalsContact OE1-N 3.12Å; G136-G139 PolarHBondContact O-N 3.31Å |
| 140 | S | 98.3 | Very high | 96.8 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.028 | 28% | 0.28 | C | S | . | . | trans | -73.3 | 136.2 | -179.8 | -52 | 0 | 0 | 0 | 0 | 110.5 | E71 K93 Q135 G136 G138 A153 | E71-S140 WeakPolarHBondContact OE1-CB 3.1Å; E71-S140 PolarHBondContact OE1-N 3.09Å; E71-S140 PolarHBondContact OE1-OG 2.82Å; E71-S140 WeakPolarHBondContact OE2-CB 3.32Å; E71-S140 PolarHBondContact OE2-OG 2.93Å; K93-S140 WeakPolarHBondContact CE-OG 3.41Å; K93-S140 PolarHBondContact NZ-OG 3.03Å; Q135-S140 CarbonylContact C-O 3.52Å; Q135-S140 VanDerWaalsContact CA-O 3.31Å; Q135-S140 WeakPolarHBondContact CA-O 3.44Å; G136-S140 PolarHBondContact N-O 3.02Å; G138-S140 PolarHBondContact O-N 2.62Å; S140-A153 WeakPolarHBondContact OG-CB 2.99Å | ||
| 141 | Y | 98 | Very high | 96.9 | Very high | 94 Ų | 94 | 53.1 Ų | 53.1 | 37% | 0.369 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 141.3 | 176.3 | 179 | -97.2 | 0 | 0 | 0 | 110.6 | G134 N143 F150 S152 | G134-Y141 WeakPolarHBondContact O-CA 3.21Å; G134-Y141 WeakPolarHBondContact O-CD2 3.13Å; Y141-N143 HydrophobicContact CE1-CB 4.24Å; Y141-F150 AromaticContact CD1-CD1 3.99Å; Y141-F150 HydrophobicContact CD1-CD1 3.99Å; Y141-F150 HydrophobicContact CD1-CE1 4.17Å; Y141-F150 HydrophobicContact CE1-CD1 4.19Å; Y141-S152 PolarHBondContact N-OG 2.78Å; Y141-S152 WeakPolarHBondContact O-CB 3.23Å; Y141-S152 PolarHBondContact O-N 3.22Å; Y141-S152 PolarHBondContact O-OG 3.34Å |
| 142 | Y | 98.2 | Very high | 97 | Very high | 6 Ų | 6 | 50.4 Ų | 50.4 | 2% | 0.024 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 154.1 | 169.8 | 72.2 | -78 | 0 | 0 | 0 | 111.9 | I73 V90 T128 M132 Q133 G134 F150 Y151 | I73-Y142 HydrophobicContact CD1-CE2 3.98Å; I73-Y142 WeakPolarHBondContact CD1-OH 3.41Å; I73-Y142 HydrophobicContact CG1-CE1 4.17Å; I73-Y142 HydrophobicContact CG1-CE2 4.48Å; I73-Y142 VanDerWaalsContact CG1-OH 3.23Å; I73-Y142 WeakPolarHBondContact CG1-OH 3.38Å; V90-Y142 HydrophobicContact CB-CD1 4.37Å; V90-Y142 HydrophobicContact CG1-CD1 3.82Å; V90-Y142 HydrophobicContact CG1-CG 4.26Å; V90-Y142 HydrophobicContact CG2-CD1 3.61Å; V90-Y142 HydrophobicContact CG2-CE1 3.89Å; V90-Y142 HydrophobicContact CG2-CG 4.12Å; T128-Y142 HydrophobicContact CG2-CD2 3.87Å; T128-Y142 HydrophobicContact CG2-CE2 3.89Å; T128-Y142 HydrophobicContact CG2-CG 4.32Å; M132-Y142 HydrophobicContact CB-CE2 3.88Å; Q133-Y142 VanDerWaalsContact CA-O 3.25Å; Q133-Y142 WeakPolarHBondContact CA-O 3.26Å; G134-Y142 VanDerWaalsContact C-CE1 3.42Å; G134-Y142 PolarHBondContact N-O 3.17Å; G134-Y142 VanDerWaalsContact N-O 3.09Å; G134-Y142 VanDerWaalsContact O-CD1 3.24Å; G134-Y142 WeakPolarHBondContact O-CD1 3.39Å; G134-Y142 WeakPolarHBondContact O-CE1 3.47Å; G134-Y142 PolarHBondContact O-N 2.95Å; Y142-F150 CarbonylContact C-O 3.52Å; Y142-F150 VanDerWaalsContact CA-O 3.25Å; Y142-F150 WeakPolarHBondContact CA-O 3.42Å; Y142-Y151 HydrophobicContact CD2-CE1 4.3Å; Y142-Y151 HydrophobicContact CG-CE1 4.31Å |
| 143 | N | 98.1 | Very high | 97.1 | Very high | 28 Ų | 28 | 50.1 Ų | 50.1 | 15% | 0.15 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 118 | 165.3 | -177.6 | -6.7 | 0 | 0 | 0 | 107.1 | Q133 Y141 T145 E149 F150 | Q133-N143 HydrophobicContact CB-CB 4.45Å; Y141-N143 HydrophobicContact CE1-CB 4.24Å; N143-T145 WeakPolarHBondContact OD1-CB 3.25Å; N143-T145 PolarHBondContact OD1-N 3.08Å; N143-T145 PolarHBondContact OD1-OG1 3.19Å; N143-E149 CarbonylContact O-C 3.55Å; N143-E149 VanDerWaalsContact O-CA 3.24Å; N143-E149 WeakPolarHBondContact O-CA 3.48Å; N143-F150 HydrophobicContact CB-CB 4.45Å; N143-F150 PolarHBondContact N-O 2.88Å; N143-F150 PolarHBondContact O-N 2.74Å |
| 144 | S | 96.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -106.9 | 25.1 | 178.6 | 61.5 | 0 | 0 | 0 | 0 | 112.1 | T128 A129 A130 N131 M132 P146 Y151 | T128-S144 VanDerWaalsContact OG1-CB 3.26Å; T128-S144 WeakPolarHBondContact OG1-CB 3.42Å; A129-S144 VanDerWaalsContact O-CB 3.3Å; A129-S144 WeakPolarHBondContact O-CB 3.31Å; A129-S144 PolarHBondContact O-OG 3.07Å; A130-S144 CarbonylContact C-O 3.55Å; A130-S144 WeakPolarHBondContact CA-O 3.4Å; N131-S144 PolarHBondContact N-O 2.96Å; M132-S144 WeakPolarHBondContact CA-OG 3.46Å; M132-S144 WeakPolarHBondContact CB-OG 3.49Å; M132-S144 PolarHBondContact N-OG 3.16Å; M132-S144 PolarHBondContact O-N 2.78Å; M132-S144 PolarHBondContact O-OG 2.71Å; M132-S144 VanDerWaalsContact O-OG 3.05Å; S144-P146 WeakPolarHBondContact O-CD 3.41Å; S144-Y151 WeakPolarHBondContact CB-OH 3.47Å | ||
| 145 | T | 96.7 | Very high | 96.9 | Very high | 40 Ų | 40 | 47.5 Ų | 47.5 | 25% | 0.245 | 26% | 0.26 | C | S | . | . | trans | -67 | 126.4 | 170.9 | -58.2 | 0 | 0 | 0 | 0 | 109.1 | N143 F147 K148 E149 | N143-T145 WeakPolarHBondContact OD1-CB 3.25Å; N143-T145 PolarHBondContact OD1-N 3.08Å; N143-T145 PolarHBondContact OD1-OG1 3.19Å; T145-F147 PolarHBondContact O-N 2.03Å; T145-K148 HydrophobicContact CG2-CB 4.37Å; T145-K148 HydrophobicContact CG2-CD 4.29Å; T145-K148 CarbonylContact O-C 3.48Å; T145-K148 VanDerWaalsContact O-C 3.27Å; T145-K148 WeakPolarHBondContact O-CA 3.25Å; T145-K148 PolarHBondContact O-N 2.62Å; T145-E149 PolarHBondContact O-N 2.88Å | ||
| 146 | P | 94.3 | Very high | 96.9 | Very high | 20 Ų | 20 | 41.2 Ų | 41.2 | 13% | 0.13 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | 134.4 | 177.8 | -31.8 | 37.9 | 0 | 0 | 0 | 113.8 | N131 S144 K148 E149 D163 N167 | N131-P146 WeakPolarHBondContact OD1-CD 3.31Å; S144-P146 WeakPolarHBondContact O-CD 3.41Å; P146-K148 PolarHBondContact O-N 3.2Å; P146-E149 VanDerWaalsContact CA-OE1 3.26Å; P146-E149 WeakPolarHBondContact CA-OE1 3.23Å; P146-D163 WeakPolarHBondContact CA-OD2 3.42Å; P146-D163 VanDerWaalsContact CB-OD2 3.24Å; P146-D163 WeakPolarHBondContact CB-OD2 3.23Å; P146-N167 WeakPolarHBondContact CB-ND2 3.3Å |
| 147 | F | 96.2 | Very high | 96.9 | Very high | 126 Ų | 126 | 43 Ų | 43 | 55% | 0.553 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 8.7 | -175.2 | -47.7 | -71.6 | 0 | 0 | 0 | 115.8 | T145 E149 D163 N167 | T145-F147 PolarHBondContact O-N 2.03Å; F147-E149 WeakPolarHBondContact CA-OE2 3.19Å; F147-E149 VanDerWaalsContact N-CD 3.25Å; F147-E149 PolarHBondContact N-OE1 2.99Å; F147-E149 PolarHBondContact N-OE2 3.16Å; F147-D163 HydrophobicContact CD1-CB 4.33Å; F147-D163 HydrophobicContact CE1-CB 4.06Å; F147-D163 WeakPolarHBondContact CE1-O 3.2Å; F147-N167 WeakPolarHBondContact CE2-ND2 3.37Å; F147-N167 HydrophobicContact CZ-CB 4.21Å; F147-N167 VanDerWaalsContact CZ-ND2 3.34Å; F147-N167 WeakPolarHBondContact CZ-ND2 3.21Å |
| 148 | K | 96.4 | Very high | 96.9 | Very high | 148 Ų | 148 | 43 Ų | 43 | 64% | 0.643 | 24% | 0.244 | S | C | * | . | trans | -136.4 | 21.8 | 177.7 | -61.5 | -179.6 | -176.8 | 173.9 | 0 | 110.9 | T145 P146 F150 | T145-K148 HydrophobicContact CG2-CB 4.37Å; T145-K148 HydrophobicContact CG2-CD 4.29Å; T145-K148 CarbonylContact O-C 3.48Å; T145-K148 VanDerWaalsContact O-C 3.27Å; T145-K148 WeakPolarHBondContact O-CA 3.25Å; T145-K148 PolarHBondContact O-N 2.62Å; P146-K148 PolarHBondContact O-N 3.2Å; K148-F150 PolarHBondContact O-N 3.35Å | ||
| 149 | E | 96.8 | Very high | 97 | Very high | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.028 | 27% | 0.268 | C | S | . | . | trans | -58.8 | 134.4 | -179.1 | -61.7 | 80.4 | 173.3 | 0 | 0 | 109.1 | N143 T145 P146 F147 Y151 S157 A158 F161 M188 | N143-E149 CarbonylContact O-C 3.55Å; N143-E149 VanDerWaalsContact O-CA 3.24Å; N143-E149 WeakPolarHBondContact O-CA 3.48Å; T145-E149 PolarHBondContact O-N 2.88Å; P146-E149 VanDerWaalsContact CA-OE1 3.26Å; P146-E149 WeakPolarHBondContact CA-OE1 3.23Å; F147-E149 WeakPolarHBondContact CA-OE2 3.19Å; F147-E149 VanDerWaalsContact N-CD 3.25Å; F147-E149 PolarHBondContact N-OE1 2.99Å; F147-E149 PolarHBondContact N-OE2 3.16Å; E149-Y151 HydrophobicContact CB-CE2 4.37Å; E149-S157 CarbonylContact O-C 3.55Å; E149-S157 VanDerWaalsContact O-CA 3.3Å; E149-S157 WeakPolarHBondContact O-CA 3.41Å; E149-A158 PolarHBondContact O-N 2.96Å; E149-A158 WeakPolarHBondContact OE2-CA 3.25Å; E149-A158 WeakPolarHBondContact OE2-CB 3.33Å; E149-F161 HydrophobicContact CB-CD2 3.64Å; E149-F161 HydrophobicContact CB-CE2 3.57Å; E149-F161 HydrophobicContact CG-CD2 3.59Å; E149-F161 HydrophobicContact CG-CE2 3.88Å; E149-F161 HydrophobicContact CG-CG 4.19Å; E149-M188 HydrophobicContact CG-CE 3.47Å; E149-M188 VanDerWaalsContact CG-CE 3.47Å; E149-M188 WeakPolarHBondContact OE1-CE 3.4Å | ||
| 150 | F | 97.8 | Very high | 97 | Very high | 106 Ų | 106 | 46.9 Ų | 46.9 | 47% | 0.465 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 121.8 | 177.9 | 179.4 | -101.9 | 0 | 0 | 0 | 109.3 | Y141 Y142 N143 K148 Y156 | Y141-F150 AromaticContact CD1-CD1 3.99Å; Y141-F150 HydrophobicContact CD1-CD1 3.99Å; Y141-F150 HydrophobicContact CD1-CE1 4.17Å; Y141-F150 HydrophobicContact CE1-CD1 4.19Å; Y142-F150 CarbonylContact C-O 3.52Å; Y142-F150 VanDerWaalsContact CA-O 3.25Å; Y142-F150 WeakPolarHBondContact CA-O 3.42Å; N143-F150 HydrophobicContact CB-CB 4.45Å; N143-F150 PolarHBondContact N-O 2.88Å; N143-F150 PolarHBondContact O-N 2.74Å; K148-F150 PolarHBondContact O-N 3.35Å; F150-Y156 WeakPolarHBondContact CA-O 3.23Å |
| 151 | Y | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 117.5 | 176.4 | -67.9 | -95.3 | 0 | 0 | 0 | 108.3 | V90 M127 T128 Y142 S144 E149 V154 P155 Y156 F161 | V90-Y151 VanDerWaalsContact O-CD1 3.31Å; V90-Y151 WeakPolarHBondContact O-CD1 3.06Å; M127-Y151 HydrophobicContact CB-CE1 3.96Å; M127-Y151 HydrophobicContact CB-CE2 4.48Å; M127-Y151 HydrophobicContact CE-CD1 3.86Å; M127-Y151 HydrophobicContact CE-CE1 4.05Å; M127-Y151 HydrophobicContact CE-CG 4.34Å; T128-Y151 HydrophobicContact CG2-CE1 4.11Å; T128-Y151 PolarHBondContact OG1-OH 3.12Å; Y142-Y151 HydrophobicContact CD2-CE1 4.3Å; Y142-Y151 HydrophobicContact CG-CE1 4.31Å; S144-Y151 WeakPolarHBondContact CB-OH 3.47Å; E149-Y151 HydrophobicContact CB-CE2 4.37Å; Y151-V154 CarbonylContact C-O 3.56Å; Y151-V154 VanDerWaalsContact CB-O 3.24Å; Y151-V154 WeakPolarHBondContact CB-O 3.1Å; Y151-V154 CarbonylContact O-C 3.33Å; Y151-P155 VanDerWaalsContact O-CA 3.26Å; Y151-P155 WeakPolarHBondContact O-CA 3.39Å; Y151-Y156 PolarHBondContact N-O 3.4Å; Y151-F161 AromaticContact CD2-CE2 3.99Å; Y151-F161 HydrophobicContact CD2-CE2 3.99Å; Y151-F161 AromaticContact CD2-CZ 3.72Å; Y151-F161 HydrophobicContact CD2-CZ 3.72Å; Y151-F161 HydrophobicContact CE2-CE1 4.19Å; Y151-F161 AromaticContact CE2-CE2 3.7Å; Y151-F161 HydrophobicContact CE2-CE2 3.7Å; Y151-F161 AromaticContact CE2-CZ 3.25Å; Y151-F161 HydrophobicContact CE2-CZ 3.25Å |
| 152 | S | 97.4 | Very high | 97 | Very high | 56 Ų | 56 | 42.7 Ų | 42.7 | 39% | 0.392 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -73.8 | -33.8 | -165.7 | 69.5 | 0 | 0 | 0 | 0 | 114.2 | Y141 | Y141-S152 PolarHBondContact N-OG 2.78Å; Y141-S152 WeakPolarHBondContact O-CB 3.23Å; Y141-S152 PolarHBondContact O-N 3.22Å; Y141-S152 PolarHBondContact O-OG 3.34Å |
| 153 | A | 97.4 | Very high | 96.9 | Very high | 44 Ų | 44 | 42.6 Ų | 42.6 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -98.4 | -12.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | K93 S140 | K93-A153 HydrophobicContact CD-CB 4.46Å; S140-A153 WeakPolarHBondContact OG-CB 2.99Å |
| 154 | V | 96.5 | Very high | 96.8 | Very high | 7 Ų | 7 | 46.3 Ų | 46.3 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -129.7 | 101.9 | 159.2 | 53.8 | 0 | 0 | 0 | 0 | 103.7 | Y92 M127 Y151 Y156 K200 | Y92-V154 HydrophobicContact CD2-CB 4.21Å; Y92-V154 HydrophobicContact CD2-CG2 3.87Å; Y92-V154 HydrophobicContact CE2-CB 4.47Å; Y92-V154 HydrophobicContact CE2-CG2 3.77Å; M127-V154 HydrophobicContact CE-CG1 3.85Å; Y151-V154 CarbonylContact C-O 3.56Å; Y151-V154 VanDerWaalsContact CB-O 3.24Å; Y151-V154 WeakPolarHBondContact CB-O 3.1Å; Y151-V154 CarbonylContact O-C 3.33Å; V154-Y156 HydrophobicContact CB-CD2 4.31Å; V154-Y156 HydrophobicContact CB-CE2 4.31Å; V154-Y156 HydrophobicContact CG1-CD2 3.7Å; V154-Y156 HydrophobicContact CG1-CE2 3.88Å; V154-Y156 HydrophobicContact CG2-CD1 4.42Å; V154-Y156 HydrophobicContact CG2-CD2 3.71Å; V154-Y156 HydrophobicContact CG2-CE1 4.2Å; V154-Y156 HydrophobicContact CG2-CE2 3.42Å; V154-Y156 VanDerWaalsContact CG2-CE2 3.42Å; V154-Y156 HydrophobicContact CG2-CG 4.19Å; V154-Y156 PolarHBondContact O-N 3.41Å; V154-K200 HydrophobicContact CG2-CB 4.29Å; V154-K200 HydrophobicContact CG2-CD 3.99Å; V154-K200 HydrophobicContact CG2-CG 4.38Å |
| 155 | P | 91.7 | Very high | 96.8 | Very high | 89 Ų | 89 | 49.3 Ų | 49.3 | 58% | 0.578 | 27% | 0.267 | S | S | * | . | trans | -72 | 65.6 | -164.4 | 30.1 | -36.3 | 0 | 0 | 0 | 111.5 | Y151 K200 | Y151-P155 VanDerWaalsContact O-CA 3.26Å; Y151-P155 WeakPolarHBondContact O-CA 3.39Å; P155-K200 PolarHBondContact O-NZ 2.66Å | ||
| 156 | Y | 98 | Very high | 96.8 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | trans | -80.1 | 136.5 | 166.9 | -67.8 | -45.5 | 0 | 0 | 0 | 108 | Y92 M127 F150 Y151 V154 D160 L190 V197 K200 | Y92-Y156 HydrophobicContact CE2-CE2 4.12Å; Y92-Y156 PolarHBondContact OH-OH 3.38Å; M127-Y156 HydrophobicContact CE-CD2 4.21Å; M127-Y156 HydrophobicContact CE-CE2 4.39Å; M127-Y156 HydrophobicContact CG-CD2 4.48Å; M127-Y156 HydrophobicContact SD-CD2 4.28Å; M127-Y156 HydrophobicContact SD-CE2 4.09Å; F150-Y156 WeakPolarHBondContact CA-O 3.23Å; Y151-Y156 PolarHBondContact N-O 3.4Å; V154-Y156 HydrophobicContact CB-CD2 4.31Å; V154-Y156 HydrophobicContact CB-CE2 4.31Å; V154-Y156 HydrophobicContact CG1-CD2 3.7Å; V154-Y156 HydrophobicContact CG1-CE2 3.88Å; V154-Y156 HydrophobicContact CG2-CD1 4.42Å; V154-Y156 HydrophobicContact CG2-CD2 3.71Å; V154-Y156 HydrophobicContact CG2-CE1 4.2Å; V154-Y156 HydrophobicContact CG2-CE2 3.42Å; V154-Y156 VanDerWaalsContact CG2-CE2 3.42Å; V154-Y156 HydrophobicContact CG2-CG 4.19Å; V154-Y156 PolarHBondContact O-N 3.41Å; Y156-D160 WeakPolarHBondContact CA-OD2 3.27Å; Y156-D160 HydrophobicContact CD1-CB 3.55Å; Y156-D160 HydrophobicContact CE1-CB 4.37Å; Y156-D160 HydrophobicContact CG-CB 4.1Å; Y156-L190 HydrophobicContact CD2-CD2 3.99Å; Y156-L190 HydrophobicContact CE1-CD2 4.4Å; Y156-L190 HydrophobicContact CE2-CD2 3.8Å; Y156-L190 HydrophobicContact CG-CD2 4.41Å; Y156-V197 HydrophobicContact CE1-CB 4.29Å; Y156-V197 HydrophobicContact CE1-CG1 3.95Å; Y156-V197 HydrophobicContact CE1-CG2 4.1Å; Y156-K200 HydrophobicContact CD1-CD 3.74Å; Y156-K200 VanDerWaalsContact CD1-NZ 3.35Å; Y156-K200 HydrophobicContact CE1-CB 4.14Å; Y156-K200 HydrophobicContact CE1-CD 3.21Å; Y156-K200 HydrophobicContact CE1-CG 4.33Å; Y156-K200 WeakPolarHBondContact OH-CB 3.13Å | ||
| 157 | S | 97.3 | Very high | 96.9 | Very high | 46 Ų | 46 | 49.4 Ų | 49.4 | 32% | 0.322 | 27% | 0.266 | S | S | . | . | B | Isolated β-bridge | trans | -121.9 | 178.5 | 178.6 | 66.8 | 0 | 0 | 0 | 0 | 109.1 | E149 E159 D160 F161 | E149-S157 CarbonylContact O-C 3.55Å; E149-S157 VanDerWaalsContact O-CA 3.3Å; E149-S157 WeakPolarHBondContact O-CA 3.41Å; S157-E159 PolarHBondContact O-N 2.73Å; S157-D160 PolarHBondContact N-OD2 3.03Å; S157-D160 WeakPolarHBondContact O-CB 3.5Å; S157-D160 PolarHBondContact O-N 3Å; S157-D160 PolarHBondContact OG-OD2 3.05Å; S157-F161 WeakPolarHBondContact O-CD2 3.46Å; S157-F161 WeakPolarHBondContact O-CE2 3.37Å |
| 158 | A | 97.2 | Very high | 96.9 | Very high | 32 Ų | 32 | 48.6 Ų | 48.6 | 26% | 0.264 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -50.9 | -31 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | E149 D160 | E149-A158 PolarHBondContact O-N 2.96Å; E149-A158 WeakPolarHBondContact OE2-CA 3.25Å; E149-A158 WeakPolarHBondContact OE2-CB 3.33Å; A158-D160 VanDerWaalsContact C-N 3.27Å; A158-D160 PolarHBondContact O-N 2.66Å |
| 159 | E | 97.5 | Very high | 96.9 | Very high | 125 Ų | 125 | 44 Ų | 44 | 58% | 0.584 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -78.6 | -10.1 | -178.3 | -46.7 | -179.3 | 169.5 | 0 | 0 | 114.2 | S157 F161 R194 | S157-E159 PolarHBondContact O-N 2.73Å; E159-F161 VanDerWaalsContact C-N 3.33Å; E159-R194 WeakPolarHBondContact O-CD 3.43Å; E159-R194 PolarHBondContact O-NH1 2.85Å; E159-R194 IonicContact OE2-CZ 3.02Å; E159-R194 IonicContact OE2-NH1 3.8Å; E159-R194 PolarHBondContact OE2-NH1 3.25Å; E159-R194 IonicContact OE2-NH2 3.88Å |
| 160 | D | 98.3 | Very high | 96.9 | Very high | 6 Ų | 6 | 44.5 Ų | 44.5 | 3% | 0.032 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -89.8 | -0.2 | 179.5 | -61.3 | -85.8 | 0 | 0 | 0 | 112.2 | Y156 S157 A158 K191 V197 K200 | Y156-D160 WeakPolarHBondContact CA-OD2 3.27Å; Y156-D160 HydrophobicContact CD1-CB 3.55Å; Y156-D160 HydrophobicContact CE1-CB 4.37Å; Y156-D160 HydrophobicContact CG-CB 4.1Å; S157-D160 PolarHBondContact N-OD2 3.03Å; S157-D160 WeakPolarHBondContact O-CB 3.5Å; S157-D160 PolarHBondContact O-N 3Å; S157-D160 PolarHBondContact OG-OD2 3.05Å; A158-D160 VanDerWaalsContact C-N 3.27Å; A158-D160 PolarHBondContact O-N 2.66Å; D160-K191 WeakPolarHBondContact O-CB 3.27Å; D160-K191 PolarHBondContact O-N 2.91Å; D160-V197 HydrophobicContact CB-CG2 3.87Å; D160-K200 IonicContact OD1-NZ 3.2Å |
| 161 | F | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -117.3 | 156.7 | 179.4 | -62.3 | -84.2 | 0 | 0 | 0 | 111.4 | M127 E149 Y151 S157 E159 D163 M188 D189 L190 | M127-F161 HydrophobicContact CB-CE1 4.07Å; M127-F161 HydrophobicContact CB-CZ 4.42Å; M127-F161 HydrophobicContact CG-CE1 3.72Å; M127-F161 HydrophobicContact CG-CZ 3.97Å; E149-F161 HydrophobicContact CB-CD2 3.64Å; E149-F161 HydrophobicContact CB-CE2 3.57Å; E149-F161 HydrophobicContact CG-CD2 3.59Å; E149-F161 HydrophobicContact CG-CE2 3.88Å; E149-F161 HydrophobicContact CG-CG 4.19Å; Y151-F161 AromaticContact CD2-CE2 3.99Å; Y151-F161 HydrophobicContact CD2-CE2 3.99Å; Y151-F161 AromaticContact CD2-CZ 3.72Å; Y151-F161 HydrophobicContact CD2-CZ 3.72Å; Y151-F161 HydrophobicContact CE2-CE1 4.19Å; Y151-F161 AromaticContact CE2-CE2 3.7Å; Y151-F161 HydrophobicContact CE2-CE2 3.7Å; Y151-F161 AromaticContact CE2-CZ 3.25Å; Y151-F161 HydrophobicContact CE2-CZ 3.25Å; S157-F161 WeakPolarHBondContact O-CD2 3.46Å; S157-F161 WeakPolarHBondContact O-CE2 3.37Å; E159-F161 VanDerWaalsContact C-N 3.33Å; F161-D163 PolarHBondContact O-N 3.3Å; F161-D163 VanDerWaalsContact O-N 3.16Å; F161-M188 HydrophobicContact CB-CE 4.38Å; F161-M188 HydrophobicContact CD1-CB 3.77Å; F161-M188 HydrophobicContact CD1-CE 4.21Å; F161-M188 HydrophobicContact CE1-CB 3.66Å; F161-M188 HydrophobicContact CG-CE 4.17Å; F161-D189 CarbonylContact C-O 3.56Å; F161-D189 VanDerWaalsContact CA-O 3.23Å; F161-D189 WeakPolarHBondContact CA-O 3.26Å; F161-D189 WeakPolarHBondContact CB-O 3.5Å; F161-D189 WeakPolarHBondContact CD1-O 3.32Å; F161-L190 HydrophobicContact CD1-CD2 4.11Å; F161-L190 HydrophobicContact CE1-CD2 3.61Å; F161-L190 HydrophobicContact CE1-CG 4.27Å; F161-L190 HydrophobicContact CZ-CD2 4.04Å |
| 162 | N | 97.8 | Very high | 96.6 | Very high | 10 Ų | 10 | 46 Ų | 46 | 5% | 0.053 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 13.6 | 179.3 | -80.8 | -35.2 | 0 | 0 | 0 | 113.7 | D164 I165 C166 N181 D189 L190 K191 | N162-D164 PolarHBondContact O-N 2.79Å; N162-I165 CarbonylContact O-C 3.54Å; N162-I165 WeakPolarHBondContact O-CA 2.83Å; N162-I165 WeakPolarHBondContact O-CB 3.31Å; N162-I165 PolarHBondContact O-N 3.02Å; N162-C166 PolarHBondContact O-N 3.22Å; N162-N181 WeakPolarHBondContact CB-O 3.47Å; N162-D189 HydrophobicContact CB-CB 4.46Å; N162-D189 PolarHBondContact N-O 3.32Å; N162-D189 PolarHBondContact ND2-OD2 2.73Å; N162-L190 PolarHBondContact ND2-O 3.19Å; N162-K191 VanDerWaalsContact OD1-CG 3.28Å; N162-K191 WeakPolarHBondContact OD1-CG 3.48Å |
| 163 | D | 95.9 | Very high | 96.5 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.9 | -26.6 | -177.8 | -95.3 | 38.2 | 0 | 0 | 0 | 114 | P146 F147 F161 I165 N167 R183 | P146-D163 WeakPolarHBondContact CA-OD2 3.42Å; P146-D163 VanDerWaalsContact CB-OD2 3.24Å; P146-D163 WeakPolarHBondContact CB-OD2 3.23Å; F147-D163 HydrophobicContact CD1-CB 4.33Å; F147-D163 HydrophobicContact CE1-CB 4.06Å; F147-D163 WeakPolarHBondContact CE1-O 3.2Å; F161-D163 PolarHBondContact O-N 3.3Å; F161-D163 VanDerWaalsContact O-N 3.16Å; D163-I165 VanDerWaalsContact C-N 3.3Å; D163-N167 HydrophobicContact CB-CB 4.45Å; D163-N167 WeakPolarHBondContact O-CB 3.41Å; D163-R183 IonicContact OD1-CZ 3.8Å; D163-R183 IonicContact OD1-NE 3.58Å; D163-R183 IonicContact OD1-NH2 3.6Å; D163-R183 PolarHBondContact OD1-NH2 2.94Å; D163-R183 IonicContact OD2-CZ 3.69Å; D163-R183 IonicContact OD2-NH2 2.74Å; D163-R183 PolarHBondContact OD2-NH2 3.47Å |
| 164 | D | 96.3 | Very high | 96.4 | Very high | 106 Ų | 106 | 51.1 Ų | 51.1 | 57% | 0.567 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -75.5 | -19 | 172.2 | 70.5 | -46.4 | 0 | 0 | 0 | 113.4 | N162 K191 | N162-D164 PolarHBondContact O-N 2.79Å; D164-K191 IonicContact OD1-NZ 2.96Å; D164-K191 PolarHBondContact OD1-NZ 3.45Å; D164-K191 IonicContact OD2-NZ 3.54Å; D164-K191 PolarHBondContact OD2-NZ 2.7Å |
| 165 | I | 96.7 | Very high | 96.5 | Very high | 63 Ų | 63 | 53.5 Ų | 53.5 | 32% | 0.323 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -98.9 | -50.1 | 180 | -64.7 | 171.4 | 0 | 0 | 0 | 110.8 | N162 D163 W177 N181 | N162-I165 CarbonylContact O-C 3.54Å; N162-I165 WeakPolarHBondContact O-CA 2.83Å; N162-I165 WeakPolarHBondContact O-CB 3.31Å; N162-I165 PolarHBondContact O-N 3.02Å; D163-I165 VanDerWaalsContact C-N 3.3Å; I165-W177 HydrophobicContact CG2-CH2 4.35Å; I165-W177 HydrophobicContact CG2-CZ2 3.68Å; I165-N181 HydrophobicContact CG2-CB 4.03Å |
| 166 | C | 97.8 | Very high | 96.7 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.02 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -148.5 | 88.9 | 179.5 | -169.4 | 0 | 0 | 0 | 0 | 112.5 | N162 R168 W177 N181 C182 | N162-C166 PolarHBondContact O-N 3.22Å; C166-R168 VanDerWaalsContact C-N 3.27Å; C166-R168 PolarHBondContact O-N 2.74Å; C166-R168 VanDerWaalsContact O-N 3.1Å; C166-R168 WeakPolarHBondContact SG-CG 3.28Å; C166-R168 VanDerWaalsContact SG-CZ 3.55Å; C166-R168 PolarHBondContact SG-NH1 2.73Å; C166-W177 HydrophobicContact CB-CH2 3.96Å; C166-W177 HydrophobicContact CB-CZ3 4.4Å; C166-N181 HydrophobicContact CB-CB 4.49Å; C166-N181 WeakPolarHBondContact CB-O 3.4Å; C166-C182 HydrophobicContact CB-CB 3.99Å; C166-C182 WeakPolarHBondContact CB-SG 3.14Å; C166-C182 VanDerWaalsContact SG-CA 3.55Å; C166-C182 WeakPolarHBondContact SG-CB 3.32Å; C166-C182 CovalentContact SG-SG 2.03Å; C166-C182 PolarHBondContact SG-SG 2.94Å |
| 167 | N | 95.3 | Very high | 96.7 | Very high | 60 Ų | 60 | 56.4 Ų | 56.4 | 32% | 0.321 | 30% | 0.302 | S | S | . | . | trans | -85.9 | 62.3 | 170.3 | -172.6 | -4.1 | 0 | 0 | 0 | 112.2 | P146 F147 D163 R183 | P146-N167 WeakPolarHBondContact CB-ND2 3.3Å; F147-N167 WeakPolarHBondContact CE2-ND2 3.37Å; F147-N167 HydrophobicContact CZ-CB 4.21Å; F147-N167 VanDerWaalsContact CZ-ND2 3.34Å; F147-N167 WeakPolarHBondContact CZ-ND2 3.21Å; D163-N167 HydrophobicContact CB-CB 4.45Å; D163-N167 WeakPolarHBondContact O-CB 3.41Å; N167-R183 VanDerWaalsContact OD1-CZ 3.28Å; N167-R183 PolarHBondContact OD1-NH1 3.48Å; N167-R183 PolarHBondContact OD1-NH2 3.21Å; N167-R183 VanDerWaalsContact OD1-NH2 3.1Å | ||
| 168 | R | 96.1 | Very high | 96.7 | Very high | 109 Ų | 109 | 55.4 Ų | 55.4 | 41% | 0.411 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -157.9 | 168.7 | 170.3 | 63.9 | 174.2 | -171.7 | -69.4 | 2.2 | 110.1 | C166 E178 R183 | C166-R168 VanDerWaalsContact C-N 3.27Å; C166-R168 PolarHBondContact O-N 2.74Å; C166-R168 VanDerWaalsContact O-N 3.1Å; C166-R168 WeakPolarHBondContact SG-CG 3.28Å; C166-R168 VanDerWaalsContact SG-CZ 3.55Å; C166-R168 PolarHBondContact SG-NH1 2.73Å; R168-E178 IonicContact CZ-OE1 2.78Å; R168-E178 IonicContact NE-OE1 3.57Å; R168-E178 IonicContact NH2-OE1 2.74Å; R168-E178 PolarHBondContact NH2-OE1 3.39Å; R168-R183 PolarHBondContact O-N 3Å |
| 169 | D | 96.9 | Very high | 96.8 | Very high | 51 Ų | 51 | 53.9 Ų | 53.9 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | B | Isolated β-bridge | trans | -73.1 | 154.5 | 169.9 | -70.8 | 3.2 | 0 | 0 | 0 | 111.3 | G171 R183 S186 | D169-G171 PolarHBondContact O-N 2.88Å; D169-G171 VanDerWaalsContact O-N 3.12Å; D169-R183 WeakPolarHBondContact CA-O 3.5Å; D169-R183 WeakPolarHBondContact OD1-CB 3.33Å; D169-S186 VanDerWaalsContact CG-N 3.28Å; D169-S186 WeakPolarHBondContact OD1-CA 3.22Å; D169-S186 PolarHBondContact OD1-N 3.23Å; D169-S186 PolarHBondContact OD1-OG 3.49Å; D169-S186 PolarHBondContact OD2-N 3.18Å; D169-S186 VanDerWaalsContact OD2-N 3.16Å; D169-S186 PolarHBondContact OD2-OG 2.63Å |
| 170 | I | 96 | Very high | 96.8 | Very high | 16 Ų | 16 | 49 Ų | 49 | 8% | 0.082 | 26% | 0.256 | C | S | . | . | trans | -55 | 117 | 169.3 | -60.9 | 163 | 0 | 0 | 0 | 108.6 | Y173 E178 V179 C182 R183 L184 H223 | I170-Y173 HydrophobicContact CB-CE2 4.2Å; I170-Y173 HydrophobicContact CD1-CE1 4.2Å; I170-Y173 HydrophobicContact CG2-CD1 4.13Å; I170-Y173 HydrophobicContact CG2-CD2 3.73Å; I170-Y173 HydrophobicContact CG2-CE1 4.13Å; I170-Y173 HydrophobicContact CG2-CE2 3.71Å; I170-Y173 HydrophobicContact CG2-CG 3.94Å; I170-E178 HydrophobicContact CG2-CB 4.44Å; I170-V179 HydrophobicContact CG2-CG2 4.32Å; I170-C182 HydrophobicContact CG1-CB 3.91Å; I170-R183 PolarHBondContact N-O 2.85Å; I170-L184 HydrophobicContact CD1-CB 4.46Å; I170-L184 HydrophobicContact CD1-CD1 4.46Å; I170-H223 WeakPolarHBondContact CD1-ND1 3.34Å | ||
| 171 | G | 95.5 | Very high | 96.8 | Very high | 69 Ų | 69 | 49.4 Ų | 49.4 | 71% | 0.711 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -98.3 | -28.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D169 E178 | D169-G171 PolarHBondContact O-N 2.88Å; D169-G171 VanDerWaalsContact O-N 3.12Å; G171-E178 PolarHBondContact N-OE2 3.26Å |
| 172 | N | 95.7 | Very high | 96.8 | Very high | 68 Ų | 68 | 49.4 Ų | 49.4 | 36% | 0.364 | 26% | 0.258 | S | S | . | . | trans | -132.2 | 99 | -177.8 | -178.7 | 16.5 | 0 | 0 | 0 | 111.7 | N174 D175 E178 | N172-N174 PolarHBondContact O-N 2.79Å; N172-N174 VanDerWaalsContact O-N 3.12Å; N172-N174 WeakPolarHBondContact OD1-CB 3.23Å; N172-N174 PolarHBondContact OD1-N 3.37Å; N172-D175 HydrophobicContact CB-CB 4.37Å; N172-D175 PolarHBondContact O-N 2.81Å; N172-E178 PolarHBondContact N-OE2 2.94Å | ||
| 173 | Y | 94 | Very high | 96.8 | Very high | 92 Ų | 92 | 49.4 Ų | 49.4 | 36% | 0.361 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -8.8 | 176.3 | -77.3 | -94.8 | 0 | 0 | 0 | 114.5 | I170 D175 V179 H223 | I170-Y173 HydrophobicContact CB-CE2 4.2Å; I170-Y173 HydrophobicContact CD1-CE1 4.2Å; I170-Y173 HydrophobicContact CG2-CD1 4.13Å; I170-Y173 HydrophobicContact CG2-CD2 3.73Å; I170-Y173 HydrophobicContact CG2-CE1 4.13Å; I170-Y173 HydrophobicContact CG2-CE2 3.71Å; I170-Y173 HydrophobicContact CG2-CG 3.94Å; Y173-D175 VanDerWaalsContact C-N 3.32Å; Y173-V179 HydrophobicContact CD1-CG2 4.2Å; Y173-V179 WeakPolarHBondContact O-CG2 3.14Å; Y173-H223 AromaticContact CE1-CE1 3.97Å |
| 174 | N | 96 | Very high | 96.7 | Very high | 116 Ų | 116 | 50.6 Ų | 50.6 | 62% | 0.62 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -4.2 | 171.5 | -63.6 | -61.9 | 0 | 0 | 0 | 113.3 | N172 P176 A263 | N172-N174 PolarHBondContact O-N 2.79Å; N172-N174 VanDerWaalsContact O-N 3.12Å; N172-N174 WeakPolarHBondContact OD1-CB 3.23Å; N172-N174 PolarHBondContact OD1-N 3.37Å; N174-P176 WeakPolarHBondContact O-CD 3.49Å; N174-A263 WeakPolarHBondContact O-CB 3.38Å |
| 175 | D | 97.6 | Very high | 96.5 | Very high | 57 Ų | 57 | 48.4 Ų | 48.4 | 31% | 0.305 | 25% | 0.254 | S | S | . | . | trans | -101.4 | 104.1 | 174.9 | -173.7 | -11.2 | 0 | 0 | 0 | 109.6 | N172 Y173 W177 E178 V179 | N172-D175 HydrophobicContact CB-CB 4.37Å; N172-D175 PolarHBondContact O-N 2.81Å; Y173-D175 VanDerWaalsContact C-N 3.32Å; D175-W177 PolarHBondContact O-N 3.32Å; D175-W177 VanDerWaalsContact O-N 3.11Å; D175-W177 VanDerWaalsContact OD1-CB 3.28Å; D175-W177 WeakPolarHBondContact OD1-CB 3.28Å; D175-W177 PolarHBondContact OD1-N 2.66Å; D175-E178 HydrophobicContact CB-CB 4.21Å; D175-E178 HydrophobicContact CB-CG 4.16Å; D175-E178 PolarHBondContact O-N 3.47Å; D175-V179 WeakPolarHBondContact O-CG2 3.46Å; D175-V179 PolarHBondContact O-N 3.07Å | ||
| 176 | P | 97.1 | Very high | 96.4 | Very high | 51 Ų | 51 | 47 Ų | 47 | 33% | 0.331 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -56.8 | -26.8 | 177.9 | -25.7 | 35.3 | 0 | 0 | 0 | 113.7 | N174 R180 A263 I264 | N174-P176 WeakPolarHBondContact O-CD 3.49Å; P176-R180 WeakPolarHBondContact O-CB 3.19Å; P176-R180 WeakPolarHBondContact O-CG 3.46Å; P176-R180 PolarHBondContact O-N 3.43Å; P176-A263 HydrophobicContact CG-CB 4.06Å; P176-I264 HydrophobicContact CB-CD1 4.44Å; P176-I264 HydrophobicContact CB-CG1 4.07Å; P176-I264 HydrophobicContact CG-CG1 4.43Å |
| 177 | W | 97.8 | Very high | 96.3 | Very high | 100 Ų | 100 | 47.8 Ų | 47.8 | 38% | 0.379 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.2 | -45.6 | 175.4 | -178.6 | 89.8 | 0 | 0 | 0 | 110.8 | I165 C166 D175 R180 N181 | I165-W177 HydrophobicContact CG2-CH2 4.35Å; I165-W177 HydrophobicContact CG2-CZ2 3.68Å; C166-W177 HydrophobicContact CB-CH2 3.96Å; C166-W177 HydrophobicContact CB-CZ3 4.4Å; D175-W177 PolarHBondContact O-N 3.32Å; D175-W177 VanDerWaalsContact O-N 3.11Å; D175-W177 VanDerWaalsContact OD1-CB 3.28Å; D175-W177 WeakPolarHBondContact OD1-CB 3.28Å; D175-W177 PolarHBondContact OD1-N 2.66Å; W177-R180 PolarHBondContact O-N 3.09Å; W177-N181 HydrophobicContact CZ2-CB 4.47Å; W177-N181 WeakPolarHBondContact O-CB 3.46Å; W177-N181 PolarHBondContact O-N 2.88Å; W177-N181 VanDerWaalsContact O-N 3.14Å; W177-N181 PolarHBondContact O-ND2 2.78Å |
| 178 | E | 98 | Very high | 96.5 | Very high | 26 Ų | 26 | 44.9 Ų | 44.9 | 12% | 0.121 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.6 | -45.7 | 175.8 | -70.9 | -159.6 | 173.6 | 0 | 0 | 111 | R168 I170 G171 N172 D175 R180 N181 C182 | R168-E178 IonicContact CZ-OE1 2.78Å; R168-E178 IonicContact NE-OE1 3.57Å; R168-E178 IonicContact NH2-OE1 2.74Å; R168-E178 PolarHBondContact NH2-OE1 3.39Å; I170-E178 HydrophobicContact CG2-CB 4.44Å; G171-E178 PolarHBondContact N-OE2 3.26Å; N172-E178 PolarHBondContact N-OE2 2.94Å; D175-E178 HydrophobicContact CB-CB 4.21Å; D175-E178 HydrophobicContact CB-CG 4.16Å; D175-E178 PolarHBondContact O-N 3.47Å; E178-R180 PolarHBondContact O-N 2.93Å; E178-R180 VanDerWaalsContact O-N 3.12Å; E178-N181 PolarHBondContact O-N 2.61Å; E178-C182 VanDerWaalsContact O-CB 3.23Å; E178-C182 WeakPolarHBondContact O-CB 3.5Å; E178-C182 PolarHBondContact O-N 3.17Å |
| 179 | V | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59 | -29.9 | -176.6 | 177.5 | 0 | 0 | 0 | 0 | 112.5 | I170 Y173 D175 K222 H223 I264 | I170-V179 HydrophobicContact CG2-CG2 4.32Å; Y173-V179 HydrophobicContact CD1-CG2 4.2Å; Y173-V179 WeakPolarHBondContact O-CG2 3.14Å; D175-V179 WeakPolarHBondContact O-CG2 3.46Å; D175-V179 PolarHBondContact O-N 3.07Å; V179-K222 HydrophobicContact CG1-CG 4.26Å; V179-H223 WeakPolarHBondContact O-CA 3.23Å; V179-H223 PolarHBondContact O-ND1 2.84Å; V179-I264 HydrophobicContact CB-CD1 3.8Å; V179-I264 HydrophobicContact CG1-CD1 3.42Å; V179-I264 VanDerWaalsContact CG1-CD1 3.42Å |
| 180 | R | 97.9 | Very high | 96.6 | Very high | 22 Ų | 22 | 37.6 Ų | 37.6 | 8% | 0.083 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -103 | -5.9 | -177 | -67.6 | 178.8 | 170.3 | 150.7 | 2.7 | 116.3 | P176 W177 E178 H223 M224 Y225 I264 E268 Y269 | P176-R180 WeakPolarHBondContact O-CB 3.19Å; P176-R180 WeakPolarHBondContact O-CG 3.46Å; P176-R180 PolarHBondContact O-N 3.43Å; W177-R180 PolarHBondContact O-N 3.09Å; E178-R180 PolarHBondContact O-N 2.93Å; E178-R180 VanDerWaalsContact O-N 3.12Å; R180-H223 VanDerWaalsContact CA-O 3.27Å; R180-H223 WeakPolarHBondContact CA-O 2.69Å; R180-M224 PolarHBondContact NE-O 3.12Å; R180-Y225 HydrophobicContact CB-CD2 4Å; R180-Y225 HydrophobicContact CB-CE1 4.47Å; R180-Y225 HydrophobicContact CB-CE2 3.64Å; R180-I264 HydrophobicContact CG-CD1 3.91Å; R180-E268 IonicContact CZ-OE2 3.79Å; R180-E268 IonicContact NH1-OE2 3.67Å; R180-E268 PolarHBondContact NH1-OE2 3.03Å; R180-E268 IonicContact NH2-OE2 3.76Å; R180-E268 PolarHBondContact NH2-OE2 3.03Å; R180-Y269 PolarHBondContact NE-OH 3.45Å; R180-Y269 PolarHBondContact NH2-OH 3.49Å |
| 181 | N | 97.8 | Very high | 96.8 | Very high | 14 Ų | 14 | 38.2 Ų | 38.2 | 8% | 0.075 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -129.5 | -19.4 | -177.4 | -63.1 | -81.6 | 0 | 0 | 0 | 113.7 | N162 I165 C166 W177 E178 Y225 | N162-N181 WeakPolarHBondContact CB-O 3.47Å; I165-N181 HydrophobicContact CG2-CB 4.03Å; C166-N181 HydrophobicContact CB-CB 4.49Å; C166-N181 WeakPolarHBondContact CB-O 3.4Å; W177-N181 HydrophobicContact CZ2-CB 4.47Å; W177-N181 WeakPolarHBondContact O-CB 3.46Å; W177-N181 PolarHBondContact O-N 2.88Å; W177-N181 VanDerWaalsContact O-N 3.14Å; W177-N181 PolarHBondContact O-ND2 2.78Å; E178-N181 PolarHBondContact O-N 2.61Å; N181-Y225 PolarHBondContact ND2-OH 3.37Å |
| 182 | C | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -99.6 | 159.9 | -179.4 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | C166 I170 E178 L184 | C166-C182 HydrophobicContact CB-CB 3.99Å; C166-C182 WeakPolarHBondContact CB-SG 3.14Å; C166-C182 VanDerWaalsContact SG-CA 3.55Å; C166-C182 WeakPolarHBondContact SG-CB 3.32Å; C166-C182 CovalentContact SG-SG 2.03Å; C166-C182 PolarHBondContact SG-SG 2.94Å; I170-C182 HydrophobicContact CG1-CB 3.91Å; E178-C182 VanDerWaalsContact O-CB 3.23Å; E178-C182 WeakPolarHBondContact O-CB 3.5Å; E178-C182 PolarHBondContact O-N 3.17Å; C182-L184 PolarHBondContact O-N 2.93Å |
| 183 | R | 97.5 | Very high | 97 | Very high | 11 Ų | 11 | 35.2 Ų | 35.2 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | B | Isolated β-bridge | trans | -65 | 129.6 | -175 | -61.7 | -173.1 | 179.4 | 130.5 | -2.3 | 112.3 | D163 N167 R168 D169 I170 V185 L187 D189 | D163-R183 IonicContact OD1-CZ 3.8Å; D163-R183 IonicContact OD1-NE 3.58Å; D163-R183 IonicContact OD1-NH2 3.6Å; D163-R183 PolarHBondContact OD1-NH2 2.94Å; D163-R183 IonicContact OD2-CZ 3.69Å; D163-R183 IonicContact OD2-NH2 2.74Å; D163-R183 PolarHBondContact OD2-NH2 3.47Å; N167-R183 VanDerWaalsContact OD1-CZ 3.28Å; N167-R183 PolarHBondContact OD1-NH1 3.48Å; N167-R183 PolarHBondContact OD1-NH2 3.21Å; N167-R183 VanDerWaalsContact OD1-NH2 3.1Å; R168-R183 PolarHBondContact O-N 3Å; D169-R183 WeakPolarHBondContact CA-O 3.5Å; D169-R183 WeakPolarHBondContact OD1-CB 3.33Å; I170-R183 PolarHBondContact N-O 2.85Å; R183-V185 PolarHBondContact O-N 3.14Å; R183-L187 VanDerWaalsContact CB-O 3.3Å; R183-L187 WeakPolarHBondContact CB-O 3.36Å; R183-L187 WeakPolarHBondContact CD-O 3.19Å; R183-L187 WeakPolarHBondContact CG-O 3.33Å; R183-D189 HydrophobicContact CG-CB 4.39Å |
| 184 | L | 95 | Very high | 97.2 | Very high | 29 Ų | 29 | 33.5 Ų | 33.5 | 15% | 0.152 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -74.6 | 103.2 | 164.9 | 176.7 | 61.1 | 0 | 0 | 0 | 108.8 | I170 C182 S186 L187 A220 | I170-L184 HydrophobicContact CD1-CB 4.46Å; I170-L184 HydrophobicContact CD1-CD1 4.46Å; C182-L184 PolarHBondContact O-N 2.93Å; L184-S186 PolarHBondContact O-N 2.87Å; L184-L187 VanDerWaalsContact O-CB 3.24Å; L184-L187 WeakPolarHBondContact O-CB 3.27Å; L184-L187 WeakPolarHBondContact O-CD1 3.41Å; L184-L187 WeakPolarHBondContact O-CG 3.45Å; L184-L187 PolarHBondContact O-N 2.66Å; L184-L187 VanDerWaalsContact O-N 3.11Å; L184-A220 HydrophobicContact CD2-CB 4.03Å |
| 185 | V | 91.6 | Very high | 97.3 | Very high | 59 Ų | 59 | 31.1 Ų | 31.1 | 36% | 0.358 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 51.8 | 175.1 | -157.5 | 0 | 0 | 0 | 0 | 112.6 | R183 L187 F377 | R183-V185 PolarHBondContact O-N 3.14Å; V185-L187 PolarHBondContact O-N 2.66Å; V185-L187 VanDerWaalsContact O-N 3.16Å; V185-F377 HydrophobicContact CG1-CD2 4.12Å; V185-F377 HydrophobicContact CG1-CE2 3.34Å; V185-F377 HydrophobicContact CG1-CZ 3.66Å |
| 186 | S | 94.8 | Very high | 97.3 | Very high | 34 Ų | 34 | 32.6 Ų | 32.6 | 24% | 0.238 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 13.7 | 179.8 | -61.1 | 0 | 0 | 0 | 0 | 115.9 | A129 A130 D169 L184 | A129-S186 CarbonylContact C-O 3.56Å; A129-S186 WeakPolarHBondContact CA-O 3.21Å; A130-S186 WeakPolarHBondContact CB-O 3.26Å; A130-S186 PolarHBondContact N-O 3.16Å; D169-S186 VanDerWaalsContact CG-N 3.28Å; D169-S186 WeakPolarHBondContact OD1-CA 3.22Å; D169-S186 PolarHBondContact OD1-N 3.23Å; D169-S186 PolarHBondContact OD1-OG 3.49Å; D169-S186 PolarHBondContact OD2-N 3.18Å; D169-S186 VanDerWaalsContact OD2-N 3.16Å; D169-S186 PolarHBondContact OD2-OG 2.63Å; L184-S186 PolarHBondContact O-N 2.87Å |
| 187 | L | 96.4 | Very high | 97.4 | Very high | 19 Ų | 19 | 30.1 Ų | 30.1 | 10% | 0.099 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 136.4 | 174.4 | -58.3 | 170.9 | 0 | 0 | 0 | 110.7 | Q88 H126 A129 R183 L184 V185 D189 | Q88-L187 HydrophobicContact CG-CD2 3.64Å; H126-L187 HydrophobicContact CB-CB 3.84Å; H126-L187 WeakPolarHBondContact NE2-CD1 3.38Å; A129-L187 HydrophobicContact CB-CD2 4.37Å; R183-L187 VanDerWaalsContact CB-O 3.3Å; R183-L187 WeakPolarHBondContact CB-O 3.36Å; R183-L187 WeakPolarHBondContact CD-O 3.19Å; R183-L187 WeakPolarHBondContact CG-O 3.33Å; L184-L187 VanDerWaalsContact O-CB 3.24Å; L184-L187 WeakPolarHBondContact O-CB 3.27Å; L184-L187 WeakPolarHBondContact O-CD1 3.41Å; L184-L187 WeakPolarHBondContact O-CG 3.45Å; L184-L187 PolarHBondContact O-N 2.66Å; L184-L187 VanDerWaalsContact O-N 3.11Å; V185-L187 PolarHBondContact O-N 2.66Å; V185-L187 VanDerWaalsContact O-N 3.16Å; L187-D189 PolarHBondContact O-N 3.04Å |
| 188 | M | 97.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 107.9 | -177.9 | -69.5 | -51.9 | -58 | 0 | 0 | 110.8 | H126 M127 T128 A130 E149 F161 | H126-M188 CarbonylContact C-O 3.54Å; H126-M188 WeakPolarHBondContact CA-O 3.48Å; H126-M188 VanDerWaalsContact CB-O 3.29Å; H126-M188 WeakPolarHBondContact CB-O 3.13Å; M127-M188 HydrophobicContact CB-CB 4.29Å; M127-M188 PolarHBondContact N-O 2.64Å; T128-M188 WeakPolarHBondContact O-CB 3.36Å; T128-M188 VanDerWaalsContact O-CG 3.24Å; T128-M188 WeakPolarHBondContact O-CG 3.33Å; T128-M188 PolarHBondContact O-N 3.03Å; A130-M188 HydrophobicContact CB-SD 3.49Å; A130-M188 WeakPolarHBondContact CB-SD 3.31Å; E149-M188 HydrophobicContact CG-CE 3.47Å; E149-M188 VanDerWaalsContact CG-CE 3.47Å; E149-M188 WeakPolarHBondContact OE1-CE 3.4Å; F161-M188 HydrophobicContact CB-CE 4.38Å; F161-M188 HydrophobicContact CD1-CB 3.77Å; F161-M188 HydrophobicContact CD1-CE 4.21Å; F161-M188 HydrophobicContact CE1-CB 3.66Å; F161-M188 HydrophobicContact CG-CE 4.17Å |
| 189 | D | 98.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 118.2 | -170.8 | -167.7 | 68.4 | 0 | 0 | 0 | 111.7 | N125 F161 N162 R183 L187 | N125-D189 PolarHBondContact ND2-OD1 2.8Å; F161-D189 CarbonylContact C-O 3.56Å; F161-D189 VanDerWaalsContact CA-O 3.23Å; F161-D189 WeakPolarHBondContact CA-O 3.26Å; F161-D189 WeakPolarHBondContact CB-O 3.5Å; F161-D189 WeakPolarHBondContact CD1-O 3.32Å; N162-D189 HydrophobicContact CB-CB 4.46Å; N162-D189 PolarHBondContact N-O 3.32Å; N162-D189 PolarHBondContact ND2-OD2 2.73Å; R183-D189 HydrophobicContact CG-CB 4.39Å; L187-D189 PolarHBondContact O-N 3.04Å |
| 190 | L | 98.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -72.9 | 137.2 | -176.4 | -73.6 | 168.2 | 0 | 0 | 0 | 110.6 | I124 N125 M127 Y156 F161 N162 L192 V197 | I124-L190 WeakPolarHBondContact O-CD1 3.33Å; N125-L190 WeakPolarHBondContact O-CB 3.3Å; N125-L190 PolarHBondContact O-N 3.27Å; M127-L190 HydrophobicContact CG-CD1 4.21Å; M127-L190 HydrophobicContact CG-CD2 3.87Å; M127-L190 HydrophobicContact CG-CG 4.07Å; M127-L190 HydrophobicContact SD-CD1 4.19Å; Y156-L190 HydrophobicContact CD2-CD2 3.99Å; Y156-L190 HydrophobicContact CE1-CD2 4.4Å; Y156-L190 HydrophobicContact CE2-CD2 3.8Å; Y156-L190 HydrophobicContact CG-CD2 4.41Å; F161-L190 HydrophobicContact CD1-CD2 4.11Å; F161-L190 HydrophobicContact CE1-CD2 3.61Å; F161-L190 HydrophobicContact CE1-CG 4.27Å; F161-L190 HydrophobicContact CZ-CD2 4.04Å; N162-L190 PolarHBondContact ND2-O 3.19Å; L190-L192 VanDerWaalsContact C-N 3.26Å; L190-L192 HydrophobicContact CB-CD2 4Å; L190-L192 HydrophobicContact CB-CG 4.31Å; L190-L192 PolarHBondContact O-N 3.14Å; L190-V197 HydrophobicContact CB-CG1 4.23Å; L190-V197 HydrophobicContact CD2-CG1 4.23Å |
| 191 | K | 98.3 | Very high | 97.5 | Very high | 30 Ų | 30 | 31.4 Ų | 31.4 | 13% | 0.13 | 17% | 0.165 | C | C | . | . | trans | -80.2 | 73.3 | 175.7 | -168.7 | 166 | -166.5 | 163.4 | 0 | 110.8 | D160 N162 D164 S193 R194 | D160-K191 WeakPolarHBondContact O-CB 3.27Å; D160-K191 PolarHBondContact O-N 2.91Å; N162-K191 VanDerWaalsContact OD1-CG 3.28Å; N162-K191 WeakPolarHBondContact OD1-CG 3.48Å; D164-K191 IonicContact OD1-NZ 2.96Å; D164-K191 PolarHBondContact OD1-NZ 3.45Å; D164-K191 IonicContact OD2-NZ 3.54Å; D164-K191 PolarHBondContact OD2-NZ 2.7Å; K191-S193 WeakPolarHBondContact CG-OG 3.44Å; K191-S193 PolarHBondContact O-N 2.91Å; K191-S193 VanDerWaalsContact O-N 3.08Å; K191-R194 HydrophobicContact CD-CG 4.06Å; K191-R194 HydrophobicContact CG-CG 3.99Å; K191-R194 WeakPolarHBondContact O-CB 3.35Å; K191-R194 PolarHBondContact O-N 3.07Å | ||
| 192 | L | 98.2 | Very high | 97.5 | Very high | 6 Ų | 6 | 30.9 Ų | 30.9 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -12.4 | -177 | -61.1 | -177.1 | 0 | 0 | 0 | 114 | L190 R194 V197 Q198 V201 M224 D228 I232 | L190-L192 VanDerWaalsContact C-N 3.26Å; L190-L192 HydrophobicContact CB-CD2 4Å; L190-L192 HydrophobicContact CB-CG 4.31Å; L190-L192 PolarHBondContact O-N 3.14Å; L192-R194 PolarHBondContact O-N 3.48Å; L192-V197 HydrophobicContact CD2-CG1 3.7Å; L192-Q198 WeakPolarHBondContact O-CG 3.25Å; L192-Q198 PolarHBondContact O-NE2 3.45Å; L192-V201 HydrophobicContact CD2-CG2 4.36Å; L192-M224 HydrophobicContact CD1-CB 4.19Å; L192-M224 HydrophobicContact CD1-CG 3.59Å; L192-M224 HydrophobicContact CD1-SD 3.22Å; L192-M224 WeakPolarHBondContact CD1-SD 3.44Å; L192-D228 HydrophobicContact CB-CB 3.8Å; L192-I232 HydrophobicContact CD1-CD1 4.46Å; L192-I232 HydrophobicContact CD2-CD1 4.28Å |
| 193 | S | 97.5 | Very high | 97.5 | Very high | 67 Ų | 67 | 34.7 Ų | 34.7 | 47% | 0.469 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -16.5 | 169.1 | 72.8 | 0 | 0 | 0 | 0 | 113.1 | K191 D228 | K191-S193 WeakPolarHBondContact CG-OG 3.44Å; K191-S193 PolarHBondContact O-N 2.91Å; K191-S193 VanDerWaalsContact O-N 3.08Å; S193-D228 PolarHBondContact N-OD2 3.3Å |
| 194 | R | 98.1 | Very high | 97.6 | Very high | 57 Ų | 57 | 34.5 Ų | 34.5 | 22% | 0.215 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -85.1 | 126.3 | 177.3 | -76.7 | -170 | 69.5 | 157.6 | 4.7 | 111.7 | E159 K191 L192 E196 V197 Q198 | E159-R194 WeakPolarHBondContact O-CD 3.43Å; E159-R194 PolarHBondContact O-NH1 2.85Å; E159-R194 IonicContact OE2-CZ 3.02Å; E159-R194 IonicContact OE2-NH1 3.8Å; E159-R194 PolarHBondContact OE2-NH1 3.25Å; E159-R194 IonicContact OE2-NH2 3.88Å; K191-R194 HydrophobicContact CD-CG 4.06Å; K191-R194 HydrophobicContact CG-CG 3.99Å; K191-R194 WeakPolarHBondContact O-CB 3.35Å; K191-R194 PolarHBondContact O-N 3.07Å; L192-R194 PolarHBondContact O-N 3.48Å; R194-E196 IonicContact CZ-OE2 2.77Å; R194-E196 IonicContact NE-OE2 3.49Å; R194-E196 PolarHBondContact NE-OE2 3.49Å; R194-E196 IonicContact NH2-OE2 2.79Å; R194-E196 PolarHBondContact NH2-OE2 2.78Å; R194-E196 PolarHBondContact O-N 3.13Å; R194-V197 HydrophobicContact CB-CB 4.36Å; R194-V197 HydrophobicContact CB-CG2 3.92Å; R194-V197 PolarHBondContact O-N 3.36Å; R194-V197 VanDerWaalsContact O-N 3.13Å; R194-Q198 WeakPolarHBondContact O-CG 3.01Å; R194-Q198 PolarHBondContact O-N 2.89Å; R194-Q198 VanDerWaalsContact O-N 3.12Å |
| 195 | P | 98.2 | Very high | 97.8 | Very high | 65 Ų | 65 | 33.1 Ų | 33.1 | 42% | 0.422 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -55.8 | -34.9 | 176.4 | -27.7 | 36.3 | 0 | 0 | 0 | 114.4 | V197 Q198 E199 | P195-V197 VanDerWaalsContact C-N 3.33Å; P195-V197 PolarHBondContact O-N 2.93Å; P195-Q198 PolarHBondContact O-N 3.36Å; P195-E199 WeakPolarHBondContact O-CB 3.45Å; P195-E199 PolarHBondContact O-N 3.07Å |
| 196 | E | 98 | Very high | 98.1 | Very high | 88 Ų | 88 | 31.4 Ų | 31.4 | 41% | 0.411 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -67.8 | -34.3 | -179.6 | -58.4 | 82.8 | -175.5 | 0 | 0 | 112.3 | R194 K200 | R194-E196 IonicContact CZ-OE2 2.77Å; R194-E196 IonicContact NE-OE2 3.49Å; R194-E196 PolarHBondContact NE-OE2 3.49Å; R194-E196 IonicContact NH2-OE2 2.79Å; R194-E196 PolarHBondContact NH2-OE2 2.78Å; R194-E196 PolarHBondContact O-N 3.13Å; E196-K200 WeakPolarHBondContact O-CG 3.03Å; E196-K200 PolarHBondContact O-N 2.72Å |
| 197 | V | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.8 | -45.9 | 174.6 | -176.6 | 0 | 0 | 0 | 0 | 109.7 | Y156 D160 L190 L192 R194 P195 E199 K200 V201 | Y156-V197 HydrophobicContact CE1-CB 4.29Å; Y156-V197 HydrophobicContact CE1-CG1 3.95Å; Y156-V197 HydrophobicContact CE1-CG2 4.1Å; D160-V197 HydrophobicContact CB-CG2 3.87Å; L190-V197 HydrophobicContact CB-CG1 4.23Å; L190-V197 HydrophobicContact CD2-CG1 4.23Å; L192-V197 HydrophobicContact CD2-CG1 3.7Å; R194-V197 HydrophobicContact CB-CB 4.36Å; R194-V197 HydrophobicContact CB-CG2 3.92Å; R194-V197 PolarHBondContact O-N 3.36Å; R194-V197 VanDerWaalsContact O-N 3.13Å; P195-V197 VanDerWaalsContact C-N 3.33Å; P195-V197 PolarHBondContact O-N 2.93Å; V197-E199 VanDerWaalsContact C-N 3.27Å; V197-E199 PolarHBondContact O-N 3.15Å; V197-K200 PolarHBondContact O-N 3.15Å; V197-V201 WeakPolarHBondContact O-CG2 3.23Å; V197-V201 PolarHBondContact O-N 3.42Å |
| 198 | Q | 98.5 | Very high | 98.5 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 3% | 0.033 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.5 | -40.1 | 175 | -63 | 168.8 | 1.5 | 0 | 0 | 112.2 | L192 R194 P195 A202 Q231 I232 | L192-Q198 WeakPolarHBondContact O-CG 3.25Å; L192-Q198 PolarHBondContact O-NE2 3.45Å; R194-Q198 WeakPolarHBondContact O-CG 3.01Å; R194-Q198 PolarHBondContact O-N 2.89Å; R194-Q198 VanDerWaalsContact O-N 3.12Å; P195-Q198 PolarHBondContact O-N 3.36Å; Q198-A202 VanDerWaalsContact O-CB 3.23Å; Q198-A202 WeakPolarHBondContact O-CB 3.25Å; Q198-A202 PolarHBondContact O-N 2.93Å; Q198-Q231 VanDerWaalsContact CD-CB 3.43Å; Q198-Q231 HydrophobicContact CG-CB 4.33Å; Q198-Q231 VanDerWaalsContact OE1-CB 3.27Å; Q198-I232 HydrophobicContact CB-CG1 3.97Å; Q198-I232 HydrophobicContact CG-CG1 4.09Å |
| 199 | E | 98.4 | Very high | 98.5 | Very high | 116 Ų | 116 | 31.9 Ų | 31.9 | 54% | 0.542 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -67.5 | -42.8 | 177.9 | -91.5 | 176.1 | 170.7 | 0 | 0 | 112.9 | P195 V197 A202 S203 | P195-E199 WeakPolarHBondContact O-CB 3.45Å; P195-E199 PolarHBondContact O-N 3.07Å; V197-E199 VanDerWaalsContact C-N 3.27Å; V197-E199 PolarHBondContact O-N 3.15Å; E199-A202 PolarHBondContact O-N 3.44Å; E199-S203 VanDerWaalsContact O-CB 3.3Å; E199-S203 WeakPolarHBondContact O-CB 3.37Å; E199-S203 PolarHBondContact O-N 2.86Å |
| 200 | K | 98.6 | Very high | 98.5 | Very high | 52 Ų | 52 | 34.9 Ų | 34.9 | 23% | 0.226 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.3 | -43 | 176.1 | -73.7 | 165.5 | 177.1 | 171 | 0 | 111.2 | Y92 V154 P155 Y156 D160 E196 V197 S203 Y204 | Y92-K200 HydrophobicContact CE2-CB 4.41Å; V154-K200 HydrophobicContact CG2-CB 4.29Å; V154-K200 HydrophobicContact CG2-CD 3.99Å; V154-K200 HydrophobicContact CG2-CG 4.38Å; P155-K200 PolarHBondContact O-NZ 2.66Å; Y156-K200 HydrophobicContact CD1-CD 3.74Å; Y156-K200 VanDerWaalsContact CD1-NZ 3.35Å; Y156-K200 HydrophobicContact CE1-CB 4.14Å; Y156-K200 HydrophobicContact CE1-CD 3.21Å; Y156-K200 HydrophobicContact CE1-CG 4.33Å; Y156-K200 WeakPolarHBondContact OH-CB 3.13Å; D160-K200 IonicContact OD1-NZ 3.2Å; E196-K200 WeakPolarHBondContact O-CG 3.03Å; E196-K200 PolarHBondContact O-N 2.72Å; V197-K200 PolarHBondContact O-N 3.15Å; K200-S203 PolarHBondContact O-N 2.76Å; K200-Y204 PolarHBondContact O-N 3.34Å; K200-Y204 VanDerWaalsContact O-N 3.09Å |
| 201 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.1 | -49 | 174.2 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | Y92 I124 L192 V197 S203 Y204 L205 I232 | Y92-V201 WeakPolarHBondContact OH-CG2 3.45Å; I124-V201 HydrophobicContact CB-CG1 3.79Å; I124-V201 HydrophobicContact CB-CG2 4.45Å; I124-V201 HydrophobicContact CD1-CG1 4.09Å; I124-V201 HydrophobicContact CG2-CG1 3.56Å; L192-V201 HydrophobicContact CD2-CG2 4.36Å; V197-V201 WeakPolarHBondContact O-CG2 3.23Å; V197-V201 PolarHBondContact O-N 3.42Å; V201-S203 VanDerWaalsContact C-N 3.27Å; V201-S203 PolarHBondContact O-N 3.21Å; V201-Y204 WeakPolarHBondContact O-CB 3.49Å; V201-Y204 PolarHBondContact O-N 3.3Å; V201-Y204 VanDerWaalsContact O-N 3.13Å; V201-L205 HydrophobicContact CG1-CD1 4.12Å; V201-L205 HydrophobicContact CG1-CG 4.39Å; V201-L205 WeakPolarHBondContact O-CG 3.36Å; V201-L205 PolarHBondContact O-N 2.9Å; V201-I232 HydrophobicContact CB-CD1 4.28Å; V201-I232 HydrophobicContact CG1-CD1 3.99Å; V201-I232 HydrophobicContact CG1-CG1 4.43Å; V201-I232 HydrophobicContact CG1-CG2 3.85Å |
| 202 | A | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.7 | -35.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q198 E199 L205 N206 I232 R235 | Q198-A202 VanDerWaalsContact O-CB 3.23Å; Q198-A202 WeakPolarHBondContact O-CB 3.25Å; Q198-A202 PolarHBondContact O-N 2.93Å; E199-A202 PolarHBondContact O-N 3.44Å; A202-L205 PolarHBondContact O-N 2.65Å; A202-N206 WeakPolarHBondContact O-CB 3.35Å; A202-N206 PolarHBondContact O-N 2.73Å; A202-N206 PolarHBondContact O-ND2 2.92Å; A202-N206 VanDerWaalsContact O-ND2 3.15Å; A202-I232 HydrophobicContact CB-CG2 4.38Å; A202-R235 HydrophobicContact CB-CB 3.7Å |
| 203 | S | 98.7 | Very high | 98.6 | Very high | 79 Ų | 79 | 34.3 Ų | 34.3 | 55% | 0.552 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -62.4 | -43.1 | 174.2 | -174.4 | 0 | 0 | 0 | 0 | 111.6 | E199 K200 V201 N206 H207 | E199-S203 VanDerWaalsContact O-CB 3.3Å; E199-S203 WeakPolarHBondContact O-CB 3.37Å; E199-S203 PolarHBondContact O-N 2.86Å; K200-S203 PolarHBondContact O-N 2.76Å; V201-S203 VanDerWaalsContact C-N 3.27Å; V201-S203 PolarHBondContact O-N 3.21Å; S203-N206 PolarHBondContact O-N 2.75Å; S203-H207 PolarHBondContact O-N 2.74Å |
| 204 | Y | 98.8 | Very high | 98.7 | Very high | 8 Ų | 8 | 31.1 Ų | 31.1 | 3% | 0.031 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.7 | -49.8 | 175.2 | 163.4 | -125.3 | 0 | 0 | 0 | 112.1 | N70 Y92 L94 K200 V201 N206 H207 L208 | N70-Y204 HydrophobicContact CB-CE2 4.31Å; Y92-Y204 AromaticContact CD1-CD1 3.58Å; Y92-Y204 HydrophobicContact CD1-CD1 3.58Å; Y92-Y204 HydrophobicContact CD1-CD2 4.07Å; Y92-Y204 AromaticContact CD1-CE1 3.97Å; Y92-Y204 HydrophobicContact CD1-CE1 3.97Å; Y92-Y204 HydrophobicContact CD1-CE2 4.4Å; Y92-Y204 AromaticContact CD1-CG 3.62Å; Y92-Y204 HydrophobicContact CD1-CG 3.62Å; Y92-Y204 HydrophobicContact CD2-CG 4.25Å; Y92-Y204 AromaticContact CE1-CD1 3.91Å; Y92-Y204 HydrophobicContact CE1-CD1 3.91Å; Y92-Y204 HydrophobicContact CE1-CE1 4.34Å; Y92-Y204 HydrophobicContact CE1-CG 4.31Å; Y92-Y204 HydrophobicContact CG-CD1 4.06Å; Y92-Y204 AromaticContact CG-CD2 3.98Å; Y92-Y204 HydrophobicContact CG-CD2 3.98Å; Y92-Y204 AromaticContact CG-CG 3.61Å; Y92-Y204 HydrophobicContact CG-CG 3.61Å; L94-Y204 HydrophobicContact CD2-CE2 3.82Å; K200-Y204 PolarHBondContact O-N 3.34Å; K200-Y204 VanDerWaalsContact O-N 3.09Å; V201-Y204 WeakPolarHBondContact O-CB 3.49Å; V201-Y204 PolarHBondContact O-N 3.3Å; V201-Y204 VanDerWaalsContact O-N 3.13Å; Y204-N206 VanDerWaalsContact C-N 3.31Å; Y204-N206 PolarHBondContact O-N 2.99Å; Y204-H207 WeakPolarHBondContact O-CB 3.41Å; Y204-H207 PolarHBondContact O-N 2.91Å; Y204-L208 HydrophobicContact CD2-CD1 4.22Å; Y204-L208 HydrophobicContact CD2-CG 4.42Å; Y204-L208 HydrophobicContact CE1-CD1 4.18Å; Y204-L208 HydrophobicContact CE2-CD1 3.62Å; Y204-L208 HydrophobicContact CE2-CD2 4.49Å; Y204-L208 HydrophobicContact CE2-CG 4.05Å; Y204-L208 PolarHBondContact O-N 3.39Å; Y204-L208 VanDerWaalsContact O-N 3.15Å |
| 205 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.8 | -36.3 | 178.9 | -61.7 | 179.7 | 0 | 0 | 0 | 111.9 | A122 V201 A202 L208 I209 F216 I232 L236 | A122-L205 HydrophobicContact CB-CD2 4.02Å; V201-L205 HydrophobicContact CG1-CD1 4.12Å; V201-L205 HydrophobicContact CG1-CG 4.39Å; V201-L205 WeakPolarHBondContact O-CG 3.36Å; V201-L205 PolarHBondContact O-N 2.9Å; A202-L205 PolarHBondContact O-N 2.65Å; L205-L208 HydrophobicContact CD2-CD1 4.47Å; L205-L208 WeakPolarHBondContact O-CB 3.44Å; L205-L208 PolarHBondContact O-N 2.91Å; L205-I209 WeakPolarHBondContact O-CG1 3.4Å; L205-I209 PolarHBondContact O-N 3.03Å; L205-F216 HydrophobicContact CB-CE1 4.49Å; L205-F216 HydrophobicContact CB-CE2 4.25Å; L205-F216 HydrophobicContact CB-CZ 4.02Å; L205-F216 HydrophobicContact CD2-CD1 3.76Å; L205-F216 HydrophobicContact CD2-CE1 3.72Å; L205-F216 HydrophobicContact CD2-CE2 4.46Å; L205-F216 HydrophobicContact CD2-CG 4.17Å; L205-F216 HydrophobicContact CD2-CZ 4.08Å; L205-F216 WeakPolarHBondContact O-CZ 3.45Å; L205-I232 HydrophobicContact CD1-CG2 3.88Å; L205-L236 HydrophobicContact CB-CD2 3.55Å; L205-L236 HydrophobicContact CD1-CD2 4.02Å; L205-L236 HydrophobicContact CG-CD2 4.44Å |
| 206 | N | 98.9 | Very high | 98.7 | Very high | 22 Ų | 22 | 25.3 Ų | 25.3 | 12% | 0.118 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.1 | -35.5 | 174.8 | -78.9 | -29.5 | 0 | 0 | 0 | 113 | A202 S203 Y204 L208 I209 D210 R235 L236 K237 | A202-N206 WeakPolarHBondContact O-CB 3.35Å; A202-N206 PolarHBondContact O-N 2.73Å; A202-N206 PolarHBondContact O-ND2 2.92Å; A202-N206 VanDerWaalsContact O-ND2 3.15Å; S203-N206 PolarHBondContact O-N 2.75Å; Y204-N206 VanDerWaalsContact C-N 3.31Å; Y204-N206 PolarHBondContact O-N 2.99Å; N206-L208 VanDerWaalsContact C-N 3.35Å; N206-I209 PolarHBondContact O-N 3.44Å; N206-D210 PolarHBondContact O-N 3.17Å; N206-R235 PolarHBondContact ND2-O 3.33Å; N206-L236 VanDerWaalsContact OD1-CA 3.27Å; N206-L236 WeakPolarHBondContact OD1-CA 3.46Å; N206-K237 HydrophobicContact CB-CD 4.06Å; N206-K237 HydrophobicContact CB-CG 4.35Å; N206-K237 WeakPolarHBondContact OD1-CG 3.4Å; N206-K237 PolarHBondContact OD1-N 3.2Å |
| 207 | H | 98.9 | Very high | 98.8 | Very high | 63 Ų | 63 | 21.2 Ų | 21.2 | 29% | 0.292 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -60.9 | -45.6 | 172.2 | -177.1 | 56.8 | 0 | 0 | 0 | 111 | E101 S203 Y204 I209 D210 L211 | E101-H207 IonicContact OE1-CE1 3.88Å; E101-H207 PolarHBondContact OE1-CE1 3.25Å; E101-H207 IonicContact OE1-NE2 2.88Å; E101-H207 PolarHBondContact OE1-NE2 2.03Å; E101-H207 IonicContact OE2-NE2 3.92Å; S203-H207 PolarHBondContact O-N 2.74Å; Y204-H207 WeakPolarHBondContact O-CB 3.41Å; Y204-H207 PolarHBondContact O-N 2.91Å; H207-I209 VanDerWaalsContact C-N 3.34Å; H207-I209 PolarHBondContact O-N 3.11Å; H207-D210 WeakPolarHBondContact O-CB 3.41Å; H207-D210 PolarHBondContact O-N 2.88Å; H207-D210 VanDerWaalsContact O-N 3.15Å; H207-L211 WeakPolarHBondContact O-CG 3.32Å; H207-L211 PolarHBondContact O-N 2.83Å |
| 208 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.9 | -40.7 | 174.4 | -68.2 | 172.8 | 0 | 0 | 0 | 112.6 | P69 L94 F104 V120 Y204 L205 N206 D210 L211 G212 V213 F216 | P69-L208 HydrophobicContact CG-CD1 4.5Å; P69-L208 HydrophobicContact CG-CD2 4.16Å; L94-L208 HydrophobicContact CD1-CD2 3.79Å; L94-L208 HydrophobicContact CD2-CD2 3.83Å; F104-L208 HydrophobicContact CD1-CD2 4.46Å; F104-L208 HydrophobicContact CE1-CD2 3.5Å; F104-L208 VanDerWaalsContact CE1-CD2 3.5Å; F104-L208 HydrophobicContact CZ-CD2 4.01Å; V120-L208 HydrophobicContact CB-CD1 4.36Å; V120-L208 HydrophobicContact CG1-CD1 3.92Å; V120-L208 HydrophobicContact CG2-CD1 4.34Å; V120-L208 HydrophobicContact CG2-CD2 4.47Å; Y204-L208 HydrophobicContact CD2-CD1 4.22Å; Y204-L208 HydrophobicContact CD2-CG 4.42Å; Y204-L208 HydrophobicContact CE1-CD1 4.18Å; Y204-L208 HydrophobicContact CE2-CD1 3.62Å; Y204-L208 HydrophobicContact CE2-CD2 4.49Å; Y204-L208 HydrophobicContact CE2-CG 4.05Å; Y204-L208 PolarHBondContact O-N 3.39Å; Y204-L208 VanDerWaalsContact O-N 3.15Å; L205-L208 HydrophobicContact CD2-CD1 4.47Å; L205-L208 WeakPolarHBondContact O-CB 3.44Å; L205-L208 PolarHBondContact O-N 2.91Å; N206-L208 VanDerWaalsContact C-N 3.35Å; L208-D210 VanDerWaalsContact C-N 3.35Å; L208-L211 PolarHBondContact O-N 2.96Å; L208-G212 PolarHBondContact O-N 2.93Å; L208-V213 HydrophobicContact CB-CB 4.17Å; L208-V213 HydrophobicContact CB-CG2 3.97Å; L208-V213 HydrophobicContact CD2-CG2 4.32Å; L208-V213 VanDerWaalsContact O-CB 3.25Å; L208-V213 WeakPolarHBondContact O-CB 3.48Å; L208-V213 WeakPolarHBondContact O-CG2 3.34Å; L208-V213 PolarHBondContact O-N 3.06Å; L208-F216 HydrophobicContact CB-CE1 3.91Å; L208-F216 HydrophobicContact CB-CZ 4.09Å; L208-F216 HydrophobicContact CD1-CD1 4.5Å; L208-F216 HydrophobicContact CD1-CE1 3.7Å; L208-F216 HydrophobicContact CG-CE1 4.47Å |
| 209 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61 | -43.9 | 173.7 | -70.7 | 165.4 | 0 | 0 | 0 | 110.9 | L205 N206 H207 L211 G212 F216 L236 K237 K238 L239 N240 P250 | L205-I209 WeakPolarHBondContact O-CG1 3.4Å; L205-I209 PolarHBondContact O-N 3.03Å; N206-I209 PolarHBondContact O-N 3.44Å; H207-I209 VanDerWaalsContact C-N 3.34Å; H207-I209 PolarHBondContact O-N 3.11Å; I209-L211 VanDerWaalsContact C-N 3.25Å; I209-L211 PolarHBondContact O-N 3.29Å; I209-G212 PolarHBondContact O-N 3.2Å; I209-F216 HydrophobicContact CD1-CE2 4.11Å; I209-F216 HydrophobicContact CD1-CZ 4.4Å; I209-F216 HydrophobicContact CG1-CE2 4.01Å; I209-F216 HydrophobicContact CG1-CZ 3.93Å; I209-L236 HydrophobicContact CD1-CB 4.14Å; I209-L236 HydrophobicContact CD1-CD2 4.4Å; I209-K237 HydrophobicContact CG2-CB 4.25Å; I209-K238 WeakPolarHBondContact CG2-O 3.42Å; I209-L239 HydrophobicContact CG1-CD2 4.37Å; I209-L239 HydrophobicContact CG2-CD2 4.23Å; I209-N240 WeakPolarHBondContact O-CB 3.45Å; I209-P250 HydrophobicContact CD1-CB 4.45Å; I209-P250 HydrophobicContact CD1-CG 4.12Å |
| 210 | D | 98.9 | Very high | 98.8 | Very high | 67 Ų | 67 | 16.1 Ų | 16.1 | 36% | 0.358 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -60.9 | -36.2 | 178 | -66.9 | -34.7 | 0 | 0 | 0 | 111.2 | N206 H207 L208 G212 K237 N240 | N206-D210 PolarHBondContact O-N 3.17Å; H207-D210 WeakPolarHBondContact O-CB 3.41Å; H207-D210 PolarHBondContact O-N 2.88Å; H207-D210 VanDerWaalsContact O-N 3.15Å; L208-D210 VanDerWaalsContact C-N 3.35Å; D210-G212 PolarHBondContact O-N 3.19Å; D210-K237 WeakPolarHBondContact OD1-CD 3.2Å; D210-K237 IonicContact OD1-NZ 3.46Å; D210-K237 PolarHBondContact OD1-NZ 3.09Å; D210-K237 IonicContact OD2-NZ 3.45Å; D210-K237 PolarHBondContact OD2-NZ 2.87Å; D210-N240 PolarHBondContact O-ND2 3.03Å |
| 211 | L | 98.9 | Very high | 98.8 | Very high | 27 Ų | 27 | 13.6 Ų | 13.6 | 14% | 0.141 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -71.6 | -12.8 | 174.6 | -63.2 | -179.2 | 0 | 0 | 0 | 114 | L94 E101 F104 T105 I108 H207 L208 I209 | L94-L211 HydrophobicContact CD1-CD1 3.46Å; L94-L211 VanDerWaalsContact CD1-CD1 3.46Å; E101-L211 HydrophobicContact CG-CD1 4.4Å; F104-L211 HydrophobicContact CD1-CD1 4Å; F104-L211 HydrophobicContact CE1-CD1 4.3Å; T105-L211 HydrophobicContact CG2-CD2 4.21Å; I108-L211 HydrophobicContact CD1-CB 3.99Å; I108-L211 VanDerWaalsContact CG2-O 3.28Å; I108-L211 WeakPolarHBondContact CG2-O 3.49Å; H207-L211 WeakPolarHBondContact O-CG 3.32Å; H207-L211 PolarHBondContact O-N 2.83Å; L208-L211 PolarHBondContact O-N 2.96Å; I209-L211 VanDerWaalsContact C-N 3.25Å; I209-L211 PolarHBondContact O-N 3.29Å |
| 212 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.8 | 13.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | H112 L208 I209 D210 F243 F244 | H112-G212 PolarHBondContact NE2-O 2.96Å; L208-G212 PolarHBondContact O-N 2.93Å; I209-G212 PolarHBondContact O-N 3.2Å; D210-G212 PolarHBondContact O-N 3.19Å; G212-F243 VanDerWaalsContact CA-CD2 3.49Å; G212-F244 WeakPolarHBondContact O-CE2 3.4Å |
| 213 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | -61.2 | 134.9 | 171.9 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | F104 I108 I118 V120 L208 G215 F216 L239 | F104-V213 HydrophobicContact CE1-CG2 4.05Å; F104-V213 HydrophobicContact CZ-CG2 3.92Å; I108-V213 HydrophobicContact CD1-CG2 3.72Å; I118-V213 HydrophobicContact CG2-CG2 4.49Å; V120-V213 HydrophobicContact CB-CG1 4.23Å; V120-V213 HydrophobicContact CG2-CG1 3.82Å; V120-V213 HydrophobicContact CG2-CG2 3.82Å; L208-V213 HydrophobicContact CB-CB 4.17Å; L208-V213 HydrophobicContact CB-CG2 3.97Å; L208-V213 HydrophobicContact CD2-CG2 4.32Å; L208-V213 VanDerWaalsContact O-CB 3.25Å; L208-V213 WeakPolarHBondContact O-CB 3.48Å; L208-V213 WeakPolarHBondContact O-CG2 3.34Å; L208-V213 PolarHBondContact O-N 3.06Å; V213-G215 WeakPolarHBondContact CG1-O 3.42Å; V213-F216 HydrophobicContact CG1-CD1 4.43Å; V213-F216 HydrophobicContact CG1-CE1 3.85Å; V213-F216 HydrophobicContact CG1-CZ 4.15Å; V213-L239 WeakPolarHBondContact O-CD2 3.32Å | ||
| 214 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.054 | C | C | . | . | trans | -85.2 | -20.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K117 I118 F244 P250 F251 | K117-A214 HydrophobicContact CB-CB 3.78Å; K117-A214 HydrophobicContact CG-CB 4.46Å; I118-A214 WeakPolarHBondContact O-CB 3.47Å; I118-A214 PolarHBondContact O-N 3.4Å; A214-F244 VanDerWaalsContact CA-CZ 3.5Å; A214-F244 HydrophobicContact CB-CE1 3.79Å; A214-F244 HydrophobicContact CB-CZ 3.5Å; A214-F244 VanDerWaalsContact CB-CZ 3.5Å; A214-P250 CarbonylContact O-C 3.27Å; A214-P250 VanDerWaalsContact O-CA 3.31Å; A214-P250 WeakPolarHBondContact O-CA 3.41Å; A214-F251 PolarHBondContact O-N 3.5Å | ||
| 215 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.2 | -176.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | I119 V120 V213 F251 | I119-G215 WeakPolarHBondContact CA-O 3.41Å; V120-G215 PolarHBondContact N-O 2.92Å; V213-G215 WeakPolarHBondContact CG1-O 3.42Å; G215-F251 CarbonylContact C-O 3.51Å; G215-F251 WeakPolarHBondContact CA-O 3.5Å |
| 216 | F | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 133 | -172.1 | -52.7 | -74 | 0 | 0 | 0 | 112 | V120 A122 L205 L208 I209 V213 I218 P250 F251 I252 V253 | V120-F216 HydrophobicContact CB-CD1 3.92Å; V120-F216 HydrophobicContact CB-CE1 4.21Å; V120-F216 HydrophobicContact CG1-CD1 4.31Å; V120-F216 CarbonylContact O-C 3.57Å; V120-F216 VanDerWaalsContact O-CA 3.24Å; V120-F216 WeakPolarHBondContact O-CA 3.36Å; A122-F216 HydrophobicContact CB-CB 4.28Å; A122-F216 HydrophobicContact CB-CD1 4.26Å; L205-F216 HydrophobicContact CB-CE1 4.49Å; L205-F216 HydrophobicContact CB-CE2 4.25Å; L205-F216 HydrophobicContact CB-CZ 4.02Å; L205-F216 HydrophobicContact CD2-CD1 3.76Å; L205-F216 HydrophobicContact CD2-CE1 3.72Å; L205-F216 HydrophobicContact CD2-CE2 4.46Å; L205-F216 HydrophobicContact CD2-CG 4.17Å; L205-F216 HydrophobicContact CD2-CZ 4.08Å; L205-F216 WeakPolarHBondContact O-CZ 3.45Å; L208-F216 HydrophobicContact CB-CE1 3.91Å; L208-F216 HydrophobicContact CB-CZ 4.09Å; L208-F216 HydrophobicContact CD1-CD1 4.5Å; L208-F216 HydrophobicContact CD1-CE1 3.7Å; L208-F216 HydrophobicContact CG-CE1 4.47Å; I209-F216 HydrophobicContact CD1-CE2 4.11Å; I209-F216 HydrophobicContact CD1-CZ 4.4Å; I209-F216 HydrophobicContact CG1-CE2 4.01Å; I209-F216 HydrophobicContact CG1-CZ 3.93Å; V213-F216 HydrophobicContact CG1-CD1 4.43Å; V213-F216 HydrophobicContact CG1-CE1 3.85Å; V213-F216 HydrophobicContact CG1-CZ 4.15Å; F216-I218 HydrophobicContact CB-CD1 3.82Å; F216-P250 HydrophobicContact CD2-CB 4.14Å; F216-P250 HydrophobicContact CE2-CB 3.94Å; F216-P250 HydrophobicContact CE2-CG 4.42Å; F216-F251 PolarHBondContact N-O 3.04Å; F216-I252 HydrophobicContact CB-CD1 4.1Å; F216-I252 HydrophobicContact CD2-CD1 3.77Å; F216-I252 HydrophobicContact CG-CD1 4.44Å; F216-I252 WeakPolarHBondContact O-CA 3.26Å; F216-V253 PolarHBondContact O-N 3.45Å |
| 217 | R | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.008 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 113.9 | 156.3 | 179.3 | -96.1 | -173.8 | 179.7 | -1.6 | 107 | V120 D121 A122 D219 V253 E255 | V120-R217 PolarHBondContact O-N 2.79Å; D121-R217 VanDerWaalsContact CG-NH1 3.34Å; D121-R217 WeakPolarHBondContact OD1-CD 3.42Å; D121-R217 IonicContact OD1-CZ 3.83Å; D121-R217 IonicContact OD1-NE 3.54Å; D121-R217 IonicContact OD1-NH1 2.65Å; D121-R217 PolarHBondContact OD1-NH1 2.69Å; D121-R217 IonicContact OD2-CZ 2.74Å; D121-R217 IonicContact OD2-NH1 2.87Å; D121-R217 PolarHBondContact OD2-NH1 3.29Å; A122-R217 PolarHBondContact N-O 3.03Å; R217-D219 IonicContact CZ-OD1 3.49Å; R217-D219 VanDerWaalsContact NH1-CB 3.32Å; R217-D219 IonicContact NH1-OD1 2.75Å; R217-D219 PolarHBondContact NH1-OD1 3.19Å; R217-D219 IonicContact NH2-OD1 3.14Å; R217-D219 PolarHBondContact NH2-OD1 2.96Å; R217-D219 PolarHBondContact O-N 3.16Å; R217-V253 CarbonylContact C-O 3.59Å; R217-V253 VanDerWaalsContact CA-O 3.25Å; R217-V253 WeakPolarHBondContact CA-O 3.49Å; R217-V253 HydrophobicContact CB-CG1 3.65Å; R217-V253 HydrophobicContact CG-CG1 3.89Å; R217-E255 IonicContact NH2-OE1 2.73Å; R217-E255 PolarHBondContact NH2-OE1 3.3Å; R217-E255 IonicContact NH2-OE2 3.34Å |
| 218 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 107.3 | 179.5 | -53.7 | -56.8 | 0 | 0 | 0 | 108.2 | A122 I124 F216 A221 M224 I252 V253 E255 | A122-I218 HydrophobicContact CB-CD1 4.22Å; I124-I218 HydrophobicContact CD1-CD1 4.2Å; I124-I218 HydrophobicContact CD1-CG2 3.89Å; I124-I218 HydrophobicContact CG1-CG2 3.99Å; F216-I218 HydrophobicContact CB-CD1 3.82Å; I218-A221 HydrophobicContact CB-CB 4.3Å; I218-A221 HydrophobicContact CG2-CB 4.01Å; I218-M224 HydrophobicContact CG2-CE 3.33Å; I218-I252 HydrophobicContact CG1-CG2 3.94Å; I218-V253 PolarHBondContact N-O 3.2Å; I218-E255 VanDerWaalsContact O-CB 3.27Å; I218-E255 WeakPolarHBondContact O-CB 3.44Å; I218-E255 PolarHBondContact O-N 3.44Å |
| 219 | D | 98.7 | Very high | 98.6 | Very high | 13 Ų | 13 | 17 Ų | 17 | 7% | 0.07 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 142.5 | 176 | -178.2 | 72.6 | 0 | 0 | 0 | 111.1 | A122 V123 H126 R217 A221 M224 | A122-D219 WeakPolarHBondContact O-CB 3.41Å; A122-D219 PolarHBondContact O-N 3.43Å; V123-D219 HydrophobicContact CB-CB 4.49Å; V123-D219 HydrophobicContact CG2-CB 3.98Å; H126-D219 IonicContact CE1-OD2 2.77Å; R217-D219 IonicContact CZ-OD1 3.49Å; R217-D219 VanDerWaalsContact NH1-CB 3.32Å; R217-D219 IonicContact NH1-OD1 2.75Å; R217-D219 PolarHBondContact NH1-OD1 3.19Å; R217-D219 IonicContact NH2-OD1 3.14Å; R217-D219 PolarHBondContact NH2-OD1 2.96Å; R217-D219 PolarHBondContact O-N 3.16Å; D219-A221 PolarHBondContact O-N 3.17Å; D219-A221 VanDerWaalsContact O-N 3.1Å; D219-M224 WeakPolarHBondContact O-CE 3.39Å |
| 220 | A | 97.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 2% | 0.017 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 32.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N125 L184 K222 H223 E255 | N125-A220 HydrophobicContact CB-CB 4.07Å; L184-A220 HydrophobicContact CD2-CB 4.03Å; A220-K222 PolarHBondContact O-N 3.31Å; A220-K222 VanDerWaalsContact O-N 3.14Å; A220-H223 HydrophobicContact CB-CB 4.39Å; A220-H223 WeakPolarHBondContact O-CA 3.45Å; A220-H223 VanDerWaalsContact O-CB 3.31Å; A220-H223 WeakPolarHBondContact O-CB 3.42Å; A220-H223 PolarHBondContact O-N 2.98Å; A220-E255 VanDerWaalsContact CA-OE2 3.3Å; A220-E255 WeakPolarHBondContact CA-OE2 3.42Å; A220-E255 PolarHBondContact N-OE2 3.37Å; A220-E255 VanDerWaalsContact N-OE2 3.08Å |
| 221 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | G | 310 helix | trans | -58.3 | -31.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I218 D219 H223 M224 I229 N254 E255 V256 Y269 | I218-A221 HydrophobicContact CB-CB 4.3Å; I218-A221 HydrophobicContact CG2-CB 4.01Å; D219-A221 PolarHBondContact O-N 3.17Å; D219-A221 VanDerWaalsContact O-N 3.1Å; A221-H223 PolarHBondContact O-N 3.33Å; A221-H223 VanDerWaalsContact O-N 3.12Å; A221-M224 HydrophobicContact CB-CE 4.28Å; A221-M224 PolarHBondContact O-N 3.33Å; A221-I229 HydrophobicContact CB-CD1 4.1Å; A221-N254 HydrophobicContact CB-CB 3.66Å; A221-E255 WeakPolarHBondContact CA-O 3.28Å; A221-E255 WeakPolarHBondContact CB-O 3.38Å; A221-E255 PolarHBondContact N-O 2.68Å; A221-V256 HydrophobicContact CB-CG2 4.33Å; A221-Y269 WeakPolarHBondContact O-CE1 3.16Å; A221-Y269 PolarHBondContact O-OH 3.32Å |
| 222 | K | 97.9 | Very high | 98.5 | Very high | 8 Ų | 8 | 19 Ų | 19 | 4% | 0.035 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -51.7 | -30.3 | 170 | -174.6 | 176.9 | 179.6 | 174.5 | 0 | 113.6 | V179 A220 E255 V256 I257 E262 I264 Y269 | V179-K222 HydrophobicContact CG1-CG 4.26Å; A220-K222 PolarHBondContact O-N 3.31Å; A220-K222 VanDerWaalsContact O-N 3.14Å; K222-E255 PolarHBondContact N-O 3.39Å; K222-V256 HydrophobicContact CB-CG1 4.26Å; K222-V256 HydrophobicContact CG-CG1 4.46Å; K222-I257 HydrophobicContact CD-CB 4.26Å; K222-I257 WeakPolarHBondContact CD-O 3.34Å; K222-I257 WeakPolarHBondContact CE-O 3.5Å; K222-I257 PolarHBondContact NZ-O 2.99Å; K222-E262 IonicContact NZ-OE2 3.13Å; K222-E262 PolarHBondContact NZ-OE2 2.93Å; K222-I264 HydrophobicContact CG-CB 4.18Å; K222-I264 HydrophobicContact CG-CD1 4.2Å; K222-I264 HydrophobicContact CG-CG2 4.09Å; K222-I264 WeakPolarHBondContact O-CD1 3.48Å; K222-Y269 PolarHBondContact O-OH 3.03Å |
| 223 | H | 98.4 | Very high | 98.4 | Very high | 10 Ų | 10 | 19 Ų | 19 | 5% | 0.046 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -89.9 | 1.6 | -176.4 | -62.9 | -78.2 | 0 | 0 | 0 | 113.7 | N125 I170 Y173 V179 R180 A220 A221 | N125-H223 VanDerWaalsContact OD1-CB 3.24Å; N125-H223 WeakPolarHBondContact OD1-CB 3.47Å; N125-H223 PolarHBondContact OD1-O 3.03Å; N125-H223 VanDerWaalsContact OD1-O 3.05Å; I170-H223 WeakPolarHBondContact CD1-ND1 3.34Å; Y173-H223 AromaticContact CE1-CE1 3.97Å; V179-H223 WeakPolarHBondContact O-CA 3.23Å; V179-H223 PolarHBondContact O-ND1 2.84Å; R180-H223 VanDerWaalsContact CA-O 3.27Å; R180-H223 WeakPolarHBondContact CA-O 2.69Å; A220-H223 HydrophobicContact CB-CB 4.39Å; A220-H223 WeakPolarHBondContact O-CA 3.45Å; A220-H223 VanDerWaalsContact O-CB 3.31Å; A220-H223 WeakPolarHBondContact O-CB 3.42Å; A220-H223 PolarHBondContact O-N 2.98Å; A221-H223 PolarHBondContact O-N 3.33Å; A221-H223 VanDerWaalsContact O-N 3.12Å |
| 224 | M | 98.7 | Very high | 98.3 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.02 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -114.6 | 149.6 | 176.8 | -60.9 | 179.7 | -89 | 0 | 0 | 110.2 | I124 N125 R180 L192 I218 D219 A221 I229 Y269 | I124-M224 HydrophobicContact CD1-CE 4.33Å; I124-M224 HydrophobicContact CD1-SD 4.23Å; I124-M224 HydrophobicContact CG1-CE 3.86Å; I124-M224 HydrophobicContact CG1-SD 3.86Å; N125-M224 HydrophobicContact CB-CE 4.06Å; N125-M224 HydrophobicContact CB-CG 3.88Å; N125-M224 HydrophobicContact CB-SD 3.89Å; N125-M224 WeakPolarHBondContact OD1-CG 3.35Å; R180-M224 PolarHBondContact NE-O 3.12Å; L192-M224 HydrophobicContact CD1-CB 4.19Å; L192-M224 HydrophobicContact CD1-CG 3.59Å; L192-M224 HydrophobicContact CD1-SD 3.22Å; L192-M224 WeakPolarHBondContact CD1-SD 3.44Å; I218-M224 HydrophobicContact CG2-CE 3.33Å; D219-M224 WeakPolarHBondContact O-CE 3.39Å; A221-M224 HydrophobicContact CB-CE 4.28Å; A221-M224 PolarHBondContact O-N 3.33Å; M224-I229 HydrophobicContact CB-CD1 3.97Å; M224-I229 HydrophobicContact CB-CG1 3.87Å; M224-I229 HydrophobicContact CE-CD1 4.25Å; M224-I229 HydrophobicContact CE-CG1 4.43Å; M224-I229 HydrophobicContact SD-CG1 4.23Å; M224-Y269 PolarHBondContact O-OH 2.96Å |
| 225 | Y | 98.4 | Very high | 98.3 | Very high | 66 Ų | 66 | 27.1 Ų | 27.1 | 26% | 0.259 | 12% | 0.119 | S | C | . | . | trans | -65.6 | 132.4 | 167.1 | -74.5 | -84.4 | 0 | 0 | 0 | 109.9 | R180 N181 E227 D228 I229 | R180-Y225 HydrophobicContact CB-CD2 4Å; R180-Y225 HydrophobicContact CB-CE1 4.47Å; R180-Y225 HydrophobicContact CB-CE2 3.64Å; N181-Y225 PolarHBondContact ND2-OH 3.37Å; Y225-E227 PolarHBondContact O-N 3.02Å; Y225-E227 VanDerWaalsContact O-N 3.17Å; Y225-D228 PolarHBondContact O-N 3.08Å; Y225-I229 PolarHBondContact O-N 2.95Å | ||
| 226 | P | 98.1 | Very high | 98.2 | Very high | 13 Ų | 13 | 27.7 Ų | 27.7 | 8% | 0.084 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -51.9 | -36.6 | 174.2 | -27.7 | 34.6 | 0 | 0 | 0 | 112.7 | D228 I229 W230 E268 Y269 L272 | P226-D228 VanDerWaalsContact C-N 3.35Å; P226-D228 PolarHBondContact O-N 2.88Å; P226-I229 PolarHBondContact O-N 2.67Å; P226-W230 WeakPolarHBondContact O-CB 3.44Å; P226-W230 PolarHBondContact O-N 2.83Å; P226-E268 HydrophobicContact CG-CB 4.13Å; P226-Y269 HydrophobicContact CB-CE1 4.44Å; P226-Y269 HydrophobicContact CG-CD1 4.21Å; P226-Y269 HydrophobicContact CG-CE1 3.84Å; P226-Y269 HydrophobicContact CG-CE2 4.2Å; P226-L272 HydrophobicContact CB-CD1 3.75Å; P226-L272 WeakPolarHBondContact O-CD1 3.21Å |
| 227 | E | 98.2 | Very high | 98.2 | Very high | 119 Ų | 119 | 32 Ų | 32 | 56% | 0.556 | 14% | 0.141 | S | C | * | . | H | α-helix | trans | -62.5 | -40.3 | 177.9 | -66.8 | 73.7 | -162.3 | 0 | 0 | 112.3 | Y225 W230 Q231 | Y225-E227 PolarHBondContact O-N 3.02Å; Y225-E227 VanDerWaalsContact O-N 3.17Å; E227-W230 WeakPolarHBondContact O-CB 3.22Å; E227-W230 PolarHBondContact O-N 2.68Å; E227-Q231 VanDerWaalsContact O-CG 3.32Å; E227-Q231 WeakPolarHBondContact O-CG 3.48Å; E227-Q231 PolarHBondContact O-N 3.08Å |
| 228 | D | 98.5 | Very high | 98.1 | Very high | 26 Ų | 26 | 35.3 Ų | 35.3 | 14% | 0.139 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -71.4 | -40.6 | -179.8 | -70.9 | -23.2 | 0 | 0 | 0 | 111.3 | L192 S193 Y225 P226 W230 Q231 I232 | L192-D228 HydrophobicContact CB-CB 3.8Å; S193-D228 PolarHBondContact N-OD2 3.3Å; Y225-D228 PolarHBondContact O-N 3.08Å; P226-D228 VanDerWaalsContact C-N 3.35Å; P226-D228 PolarHBondContact O-N 2.88Å; D228-W230 VanDerWaalsContact C-N 3.32Å; D228-W230 PolarHBondContact O-N 3.2Å; D228-Q231 WeakPolarHBondContact O-CB 3.24Å; D228-Q231 PolarHBondContact O-N 2.84Å; D228-I232 PolarHBondContact O-N 3.49Å |
| 229 | I | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.7 | -47.8 | 170.1 | -62 | 177.2 | 0 | 0 | 0 | 109.6 | A221 M224 Y225 P226 Q231 I232 L233 Y269 L272 | A221-I229 HydrophobicContact CB-CD1 4.1Å; M224-I229 HydrophobicContact CB-CD1 3.97Å; M224-I229 HydrophobicContact CB-CG1 3.87Å; M224-I229 HydrophobicContact CE-CD1 4.25Å; M224-I229 HydrophobicContact CE-CG1 4.43Å; M224-I229 HydrophobicContact SD-CG1 4.23Å; Y225-I229 PolarHBondContact O-N 2.95Å; P226-I229 PolarHBondContact O-N 2.67Å; I229-Q231 VanDerWaalsContact C-N 3.29Å; I229-Q231 PolarHBondContact O-N 2.87Å; I229-I232 WeakPolarHBondContact O-CA 3.01Å; I229-I232 WeakPolarHBondContact O-CB 3.23Å; I229-I232 PolarHBondContact O-N 2.84Å; I229-L233 HydrophobicContact CG2-CD1 3.91Å; I229-L233 HydrophobicContact CG2-CG 3.98Å; I229-L233 WeakPolarHBondContact O-CG 3.44Å; I229-L233 PolarHBondContact O-N 3Å; I229-Y269 HydrophobicContact CD1-CD1 3.96Å; I229-Y269 HydrophobicContact CD1-CE1 3.78Å; I229-L272 HydrophobicContact CB-CD1 4.02Å; I229-L272 HydrophobicContact CG2-CD1 4.02Å |
| 230 | W | 97.6 | Very high | 98.1 | Very high | 77 Ų | 77 | 36.4 Ų | 36.4 | 29% | 0.292 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -58.1 | -40.5 | 177.8 | 175.8 | -114.5 | 0 | 0 | 0 | 112.7 | F25 P226 E227 D228 I232 L233 K234 L272 | F25-W230 AromaticContact CE2-CZ3 3.97Å; F25-W230 HydrophobicContact CE2-CZ3 3.97Å; P226-W230 WeakPolarHBondContact O-CB 3.44Å; P226-W230 PolarHBondContact O-N 2.83Å; E227-W230 WeakPolarHBondContact O-CB 3.22Å; E227-W230 PolarHBondContact O-N 2.68Å; D228-W230 VanDerWaalsContact C-N 3.32Å; D228-W230 PolarHBondContact O-N 3.2Å; W230-I232 PolarHBondContact O-N 3.4Å; W230-L233 PolarHBondContact O-N 3.3Å; W230-K234 HydrophobicContact CZ2-CB 4.48Å; W230-K234 WeakPolarHBondContact O-CG 3.49Å; W230-K234 PolarHBondContact O-N 2.99Å; W230-L272 HydrophobicContact CB-CD2 3.75Å; W230-L272 HydrophobicContact CD2-CD2 4.39Å; W230-L272 HydrophobicContact CE3-CD2 3.84Å; W230-L272 HydrophobicContact CG-CD2 4.4Å |
| 231 | Q | 98.2 | Very high | 98.1 | Very high | 57 Ų | 57 | 40.8 Ų | 40.8 | 27% | 0.266 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.1 | -36 | 175.8 | -67.9 | -51.3 | -54.3 | 0 | 0 | 111.8 | Q198 E227 D228 I229 K234 R235 | Q198-Q231 VanDerWaalsContact CD-CB 3.43Å; Q198-Q231 HydrophobicContact CG-CB 4.33Å; Q198-Q231 VanDerWaalsContact OE1-CB 3.27Å; E227-Q231 VanDerWaalsContact O-CG 3.32Å; E227-Q231 WeakPolarHBondContact O-CG 3.48Å; E227-Q231 PolarHBondContact O-N 3.08Å; D228-Q231 WeakPolarHBondContact O-CB 3.24Å; D228-Q231 PolarHBondContact O-N 2.84Å; I229-Q231 VanDerWaalsContact C-N 3.29Å; I229-Q231 PolarHBondContact O-N 2.87Å; Q231-K234 WeakPolarHBondContact O-CG 3.38Å; Q231-R235 WeakPolarHBondContact O-CG 3.38Å; Q231-R235 PolarHBondContact O-NH1 2.97Å |
| 232 | I | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71.8 | -50.4 | 174.9 | -65 | 160.8 | 0 | 0 | 0 | 110.2 | I124 L192 Q198 V201 A202 L205 D228 I229 W230 K234 R235 | I124-I232 HydrophobicContact CD1-CD1 4.23Å; L192-I232 HydrophobicContact CD1-CD1 4.46Å; L192-I232 HydrophobicContact CD2-CD1 4.28Å; Q198-I232 HydrophobicContact CB-CG1 3.97Å; Q198-I232 HydrophobicContact CG-CG1 4.09Å; V201-I232 HydrophobicContact CB-CD1 4.28Å; V201-I232 HydrophobicContact CG1-CD1 3.99Å; V201-I232 HydrophobicContact CG1-CG1 4.43Å; V201-I232 HydrophobicContact CG1-CG2 3.85Å; A202-I232 HydrophobicContact CB-CG2 4.38Å; L205-I232 HydrophobicContact CD1-CG2 3.88Å; D228-I232 PolarHBondContact O-N 3.49Å; I229-I232 WeakPolarHBondContact O-CA 3.01Å; I229-I232 WeakPolarHBondContact O-CB 3.23Å; I229-I232 PolarHBondContact O-N 2.84Å; W230-I232 PolarHBondContact O-N 3.4Å; I232-K234 VanDerWaalsContact C-N 3.32Å; I232-K234 PolarHBondContact O-N 2.8Å; I232-R235 WeakPolarHBondContact O-CB 3.32Å; I232-R235 PolarHBondContact O-N 3.07Å |
| 233 | L | 97.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.9 | -40.4 | -175.6 | -67.5 | -174.7 | 0 | 0 | 0 | 112.9 | F25 I229 W230 R235 L236 I252 L272 | F25-L233 HydrophobicContact CD2-CD1 4.48Å; F25-L233 HydrophobicContact CE1-CB 4.42Å; F25-L233 HydrophobicContact CE2-CB 4.13Å; F25-L233 HydrophobicContact CE2-CD1 4.42Å; F25-L233 HydrophobicContact CZ-CB 3.82Å; I229-L233 HydrophobicContact CG2-CD1 3.91Å; I229-L233 HydrophobicContact CG2-CG 3.98Å; I229-L233 WeakPolarHBondContact O-CG 3.44Å; I229-L233 PolarHBondContact O-N 3Å; W230-L233 PolarHBondContact O-N 3.3Å; L233-R235 PolarHBondContact O-N 2.85Å; L233-R235 VanDerWaalsContact O-N 3.16Å; L233-L236 HydrophobicContact CD2-CD1 3.69Å; L233-L236 VanDerWaalsContact O-CB 3.32Å; L233-L236 WeakPolarHBondContact O-CB 3.16Å; L233-L236 WeakPolarHBondContact O-CG 3.24Å; L233-L236 PolarHBondContact O-N 3.16Å; L233-I252 HydrophobicContact CD1-CG1 4.49Å; L233-I252 HydrophobicContact CD1-CG2 4.5Å; L233-I252 HydrophobicContact CD2-CD1 3.73Å; L233-I252 HydrophobicContact CD2-CG1 3.94Å; L233-L272 HydrophobicContact CD1-CB 4.03Å; L233-L272 HydrophobicContact CD1-CD2 4.48Å |
| 234 | K | 96.3 | Very high | 98.1 | Very high | 100 Ų | 100 | 49.9 Ų | 49.9 | 44% | 0.435 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -11.7 | 178.1 | 72.8 | 174.8 | -171.5 | 175.2 | 0 | 114.6 | W230 Q231 I232 | W230-K234 HydrophobicContact CZ2-CB 4.48Å; W230-K234 WeakPolarHBondContact O-CG 3.49Å; W230-K234 PolarHBondContact O-N 2.99Å; Q231-K234 WeakPolarHBondContact O-CG 3.38Å; I232-K234 VanDerWaalsContact C-N 3.32Å; I232-K234 PolarHBondContact O-N 2.8Å |
| 235 | R | 97.8 | Very high | 98 | Very high | 70 Ų | 70 | 53.4 Ų | 53.4 | 26% | 0.264 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -3.2 | 175.6 | -67.3 | 173.8 | 168.2 | 94.4 | -14.3 | 111.9 | A202 N206 Q231 I232 L233 | A202-R235 HydrophobicContact CB-CB 3.7Å; N206-R235 PolarHBondContact ND2-O 3.33Å; Q231-R235 WeakPolarHBondContact O-CG 3.38Å; Q231-R235 PolarHBondContact O-NH1 2.97Å; I232-R235 WeakPolarHBondContact O-CB 3.32Å; I232-R235 PolarHBondContact O-N 3.07Å; L233-R235 PolarHBondContact O-N 2.85Å; L233-R235 VanDerWaalsContact O-N 3.16Å |
| 236 | L | 98.3 | Very high | 97.9 | Very high | 12 Ų | 12 | 54.5 Ų | 54.5 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 142.4 | 178.1 | -59.9 | -176.4 | 0 | 0 | 0 | 110.8 | L205 N206 I209 L233 P250 | L205-L236 HydrophobicContact CB-CD2 3.55Å; L205-L236 HydrophobicContact CD1-CD2 4.02Å; L205-L236 HydrophobicContact CG-CD2 4.44Å; N206-L236 VanDerWaalsContact OD1-CA 3.27Å; N206-L236 WeakPolarHBondContact OD1-CA 3.46Å; I209-L236 HydrophobicContact CD1-CB 4.14Å; I209-L236 HydrophobicContact CD1-CD2 4.4Å; L233-L236 HydrophobicContact CD2-CD1 3.69Å; L233-L236 VanDerWaalsContact O-CB 3.32Å; L233-L236 WeakPolarHBondContact O-CB 3.16Å; L233-L236 WeakPolarHBondContact O-CG 3.24Å; L233-L236 PolarHBondContact O-N 3.16Å; L236-P250 HydrophobicContact CD1-CG 3.89Å |
| 237 | K | 97.8 | Very high | 97.8 | Very high | 91 Ų | 91 | 59.9 Ų | 59.9 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 160.3 | 169.3 | -68.3 | 171.8 | 177.3 | -179.2 | 0 | 109.6 | N206 I209 D210 | N206-K237 HydrophobicContact CB-CD 4.06Å; N206-K237 HydrophobicContact CB-CG 4.35Å; N206-K237 WeakPolarHBondContact OD1-CG 3.4Å; N206-K237 PolarHBondContact OD1-N 3.2Å; I209-K237 HydrophobicContact CG2-CB 4.25Å; D210-K237 WeakPolarHBondContact OD1-CD 3.2Å; D210-K237 IonicContact OD1-NZ 3.46Å; D210-K237 PolarHBondContact OD1-NZ 3.09Å; D210-K237 IonicContact OD2-NZ 3.45Å; D210-K237 PolarHBondContact OD2-NZ 2.87Å |
| 238 | K | 97.8 | Very high | 97.7 | Very high | 70 Ų | 70 | 56.8 Ų | 56.8 | 30% | 0.304 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 155.3 | 156.7 | -62.8 | -59.2 | -169.3 | 159.8 | 0 | 109.2 | I209 D247 K248 C249 | I209-K238 WeakPolarHBondContact CG2-O 3.42Å; K238-D247 PolarHBondContact NZ-O 2.83Å; K238-K248 WeakPolarHBondContact CA-O 3.4Å; K238-K248 WeakPolarHBondContact CB-O 3.44Å; K238-K248 WeakPolarHBondContact CD-O 3.26Å; K238-C249 PolarHBondContact NZ-SG 2.85Å |
| 239 | L | 98.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 146.6 | 179.1 | -69.3 | -179.1 | 0 | 0 | 0 | 111.6 | Q29 I209 V213 T241 F244 K248 C249 P250 | Q29-L239 HydrophobicContact CG-CD1 3.68Å; I209-L239 HydrophobicContact CG1-CD2 4.37Å; I209-L239 HydrophobicContact CG2-CD2 4.23Å; V213-L239 WeakPolarHBondContact O-CD2 3.32Å; L239-T241 PolarHBondContact O-N 2.94Å; L239-F244 HydrophobicContact CB-CB 3.93Å; L239-F244 HydrophobicContact CB-CD2 3.66Å; L239-F244 HydrophobicContact CB-CE2 4.31Å; L239-F244 HydrophobicContact CB-CG 3.81Å; L239-F244 HydrophobicContact CD1-CB 4.42Å; L239-F244 HydrophobicContact CD1-CD1 3.72Å; L239-F244 HydrophobicContact CD1-CD2 4.09Å; L239-F244 HydrophobicContact CD1-CE1 3.89Å; L239-F244 HydrophobicContact CD1-CE2 4.27Å; L239-F244 HydrophobicContact CD1-CG 3.82Å; L239-F244 HydrophobicContact CD1-CZ 4.18Å; L239-F244 HydrophobicContact CD2-CE2 4.49Å; L239-F244 HydrophobicContact CG-CD2 4.35Å; L239-F244 HydrophobicContact CG-CG 4.43Å; L239-K248 HydrophobicContact CB-CB 4.29Å; L239-K248 HydrophobicContact CD1-CB 4.04Å; L239-K248 HydrophobicContact CG-CB 4.43Å; L239-K248 PolarHBondContact N-O 3.2Å; L239-C249 VanDerWaalsContact CD1-O 3.28Å; L239-C249 WeakPolarHBondContact CD1-O 3.48Å; L239-P250 HydrophobicContact CD2-CB 3.94Å |
| 240 | N | 98.5 | Very high | 97.6 | Very high | 33 Ų | 33 | 55.6 Ų | 55.6 | 18% | 0.176 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 121.4 | -179.1 | -179.9 | -8.8 | 0 | 0 | 0 | 110.7 | I209 D210 D242 F243 F244 | I209-N240 WeakPolarHBondContact O-CB 3.45Å; D210-N240 PolarHBondContact O-ND2 3.03Å; N240-D242 PolarHBondContact O-N 3.2Å; N240-D242 WeakPolarHBondContact OD1-CB 3.33Å; N240-D242 PolarHBondContact OD1-N 3.16Å; N240-F243 HydrophobicContact CB-CD2 4.17Å; N240-F243 PolarHBondContact O-N 3.16Å; N240-F244 WeakPolarHBondContact O-CD2 3.21Å; N240-F244 PolarHBondContact O-N 3.35Å |
| 241 | T | 98.4 | Very high | 97.7 | Very high | 94 Ų | 94 | 52 Ų | 52 | 58% | 0.577 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -9.6 | -176.2 | 52.2 | 0 | 0 | 0 | 0 | 114.7 | L239 F243 F244 P246 | L239-T241 PolarHBondContact O-N 2.94Å; T241-F243 PolarHBondContact O-N 3.05Å; T241-F244 WeakPolarHBondContact CA-O 3.43Å; T241-P246 HydrophobicContact CG2-CB 4.44Å |
| 242 | D | 98.2 | Very high | 97.7 | Very high | 136 Ų | 136 | 49.2 Ų | 49.2 | 73% | 0.727 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -24.8 | 170.1 | -66 | -18.6 | 0 | 0 | 0 | 111.6 | N240 | N240-D242 PolarHBondContact O-N 3.2Å; N240-D242 WeakPolarHBondContact OD1-CB 3.33Å; N240-D242 PolarHBondContact OD1-N 3.16Å |
| 243 | F | 98.3 | Very high | 97.7 | Very high | 63 Ų | 63 | 49.2 Ų | 49.2 | 28% | 0.276 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | -25.6 | -175.6 | -59.4 | -75.1 | 0 | 0 | 0 | 113.8 | H112 G212 N240 T241 | H112-F243 HydrophobicContact CB-CD1 3.88Å; H112-F243 HydrophobicContact CB-CE1 4.36Å; H112-F243 AromaticContact CD2-CD1 3.32Å; H112-F243 WeakPolarHBondContact CD2-CD1 3.25Å; H112-F243 AromaticContact CD2-CE1 3.91Å; H112-F243 AromaticContact CD2-CG 3.76Å; H112-F243 AromaticContact CG-CD1 3.59Å; H112-F243 AromaticContact NE2-CD1 3.86Å; H112-F243 AromaticContact NE2-CG 3.8Å; G212-F243 VanDerWaalsContact CA-CD2 3.49Å; N240-F243 HydrophobicContact CB-CD2 4.17Å; N240-F243 PolarHBondContact O-N 3.16Å; T241-F243 PolarHBondContact O-N 3.05Å |
| 244 | F | 98.2 | Very high | 97.8 | Very high | 10 Ų | 10 | 49.1 Ų | 49.1 | 4% | 0.044 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -126.2 | 154.7 | -174.6 | -59.3 | -89.9 | 0 | 0 | 0 | 111.8 | Q29 H112 K117 G212 A214 L239 N240 T241 | Q29-F244 HydrophobicContact CB-CD1 4.13Å; Q29-F244 HydrophobicContact CB-CE1 3.84Å; Q29-F244 HydrophobicContact CG-CD1 4.47Å; Q29-F244 HydrophobicContact CG-CE1 4.32Å; H112-F244 AromaticContact CE1-CE1 3.96Å; H112-F244 AromaticContact CE1-CE2 3.69Å; H112-F244 AromaticContact CE1-CZ 3.37Å; H112-F244 WeakPolarHBondContact CE1-CZ 3.27Å; H112-F244 AromaticContact NE2-CE2 3.82Å; H112-F244 AromaticContact NE2-CZ 3.77Å; K117-F244 HydrophobicContact CD-CE1 3.72Å; K117-F244 HydrophobicContact CD-CZ 4.08Å; G212-F244 WeakPolarHBondContact O-CE2 3.4Å; A214-F244 VanDerWaalsContact CA-CZ 3.5Å; A214-F244 HydrophobicContact CB-CE1 3.79Å; A214-F244 HydrophobicContact CB-CZ 3.5Å; A214-F244 VanDerWaalsContact CB-CZ 3.5Å; L239-F244 HydrophobicContact CB-CB 3.93Å; L239-F244 HydrophobicContact CB-CD2 3.66Å; L239-F244 HydrophobicContact CB-CE2 4.31Å; L239-F244 HydrophobicContact CB-CG 3.81Å; L239-F244 HydrophobicContact CD1-CB 4.42Å; L239-F244 HydrophobicContact CD1-CD1 3.72Å; L239-F244 HydrophobicContact CD1-CD2 4.09Å; L239-F244 HydrophobicContact CD1-CE1 3.89Å; L239-F244 HydrophobicContact CD1-CE2 4.27Å; L239-F244 HydrophobicContact CD1-CG 3.82Å; L239-F244 HydrophobicContact CD1-CZ 4.18Å; L239-F244 HydrophobicContact CD2-CE2 4.49Å; L239-F244 HydrophobicContact CG-CD2 4.35Å; L239-F244 HydrophobicContact CG-CG 4.43Å; N240-F244 WeakPolarHBondContact O-CD2 3.21Å; N240-F244 PolarHBondContact O-N 3.35Å; T241-F244 WeakPolarHBondContact CA-O 3.43Å |
| 245 | P | 96.5 | Very high | 97.9 | Very high | 78 Ų | 78 | 45 Ų | 45 | 51% | 0.506 | 23% | 0.234 | S | C | . | . | trans | -54.7 | 153.9 | 166.1 | -23.6 | 34.3 | 0 | 0 | 0 | 112 | K248 | P245-K248 HydrophobicContact CB-CG 4.2Å; P245-K248 WeakPolarHBondContact O-CG 3.4Å | ||
| 246 | P | 96.2 | Very high | 97.8 | Very high | 90 Ų | 90 | 41.7 Ų | 41.7 | 58% | 0.584 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 156.5 | 176.5 | 25.6 | -34.6 | 0 | 0 | 0 | 112.5 | T241 K248 | T241-P246 HydrophobicContact CG2-CB 4.44Å; P246-K248 PolarHBondContact O-N 2.84Å; P246-K248 VanDerWaalsContact O-N 3.13Å |
| 247 | D | 94.8 | Very high | 97.7 | Very high | 126 Ų | 126 | 42.2 Ų | 42.2 | 67% | 0.674 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 4.1 | 175.4 | -58.6 | -53.3 | 0 | 0 | 0 | 117.2 | K238 | K238-D247 PolarHBondContact NZ-O 2.83Š|
| 248 | K | 97.1 | Very high | 97.5 | Very high | 54 Ų | 54 | 38.2 Ų | 38.2 | 24% | 0.235 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 143.8 | 175.4 | -66.3 | -58.1 | -161.3 | 171.7 | 0 | 113.2 | E27 K238 L239 P245 P246 | E27-K248 IonicContact OE1-NZ 2.71Å; E27-K248 PolarHBondContact OE1-NZ 3.38Å; E27-K248 IonicContact OE2-NZ 2.61Å; E27-K248 PolarHBondContact OE2-NZ 3.42Å; K238-K248 WeakPolarHBondContact CA-O 3.4Å; K238-K248 WeakPolarHBondContact CB-O 3.44Å; K238-K248 WeakPolarHBondContact CD-O 3.26Å; L239-K248 HydrophobicContact CB-CB 4.29Å; L239-K248 HydrophobicContact CD1-CB 4.04Å; L239-K248 HydrophobicContact CG-CB 4.43Å; L239-K248 PolarHBondContact N-O 3.2Å; P245-K248 HydrophobicContact CB-CG 4.2Å; P245-K248 WeakPolarHBondContact O-CG 3.4Å; P246-K248 PolarHBondContact O-N 2.84Å; P246-K248 VanDerWaalsContact O-N 3.13Å |
| 249 | C | 97.3 | Very high | 97.2 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -100.8 | 153.3 | 176.6 | -63.1 | 0 | 0 | 0 | 0 | 110.6 | Q20 C24 F25 Q29 K238 L239 | Q20-C249 PolarHBondContact NE2-SG 3.08Å; C24-C249 HydrophobicContact CB-CB 3.78Å; C24-C249 WeakPolarHBondContact CB-SG 2.89Å; C24-C249 WeakPolarHBondContact O-CB 3.42Å; C24-C249 WeakPolarHBondContact SG-CB 3.4Å; C24-C249 CovalentContact SG-SG 2.04Å; C24-C249 PolarHBondContact SG-SG 3.11Å; F25-C249 HydrophobicContact CD1-CB 4.24Å; F25-C249 HydrophobicContact CE1-CB 4.46Å; Q29-C249 PolarHBondContact NE2-O 3.24Å; K238-C249 PolarHBondContact NZ-SG 2.85Å; L239-C249 VanDerWaalsContact CD1-O 3.28Å; L239-C249 WeakPolarHBondContact CD1-O 3.48Å |
| 250 | P | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -62 | 139.4 | 169.9 | 26.6 | -33.5 | 0 | 0 | 0 | 110.7 | F25 I209 A214 F216 L236 L239 I252 | F25-P250 HydrophobicContact CD1-CG 4.25Å; F25-P250 WeakPolarHBondContact CD1-O 3.43Å; F25-P250 HydrophobicContact CE1-CG 4.08Å; I209-P250 HydrophobicContact CD1-CB 4.45Å; I209-P250 HydrophobicContact CD1-CG 4.12Å; A214-P250 CarbonylContact O-C 3.27Å; A214-P250 VanDerWaalsContact O-CA 3.31Å; A214-P250 WeakPolarHBondContact O-CA 3.41Å; F216-P250 HydrophobicContact CD2-CB 4.14Å; F216-P250 HydrophobicContact CE2-CB 3.94Å; F216-P250 HydrophobicContact CE2-CG 4.42Å; L236-P250 HydrophobicContact CD1-CG 3.89Å; L239-P250 HydrophobicContact CD2-CB 3.94Å; P250-I252 HydrophobicContact CB-CD1 4.49Å; P250-I252 HydrophobicContact CG-CD1 4.47Å |
| 251 | F | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 132 | 168.5 | 174.6 | -112.4 | 0 | 0 | 0 | 109.8 | F25 E27 L28 I119 A214 G215 F216 V253 R274 L313 I354 | F25-F251 CarbonylContact O-C 3.57Å; F25-F251 WeakPolarHBondContact O-CA 3.17Å; E27-F251 WeakPolarHBondContact O-CB 3.49Å; L28-F251 HydrophobicContact CB-CD2 4.37Å; L28-F251 HydrophobicContact CD1-CD1 3.74Å; L28-F251 HydrophobicContact CD1-CD2 4.31Å; L28-F251 HydrophobicContact CD1-CE1 3.77Å; L28-F251 HydrophobicContact CD1-CE2 4.33Å; L28-F251 HydrophobicContact CD1-CG 4.01Å; L28-F251 HydrophobicContact CD1-CZ 4.07Å; I119-F251 HydrophobicContact CD1-CD1 3.87Å; I119-F251 HydrophobicContact CD1-CE1 4.16Å; I119-F251 HydrophobicContact CG1-CD1 4.37Å; A214-F251 PolarHBondContact O-N 3.5Å; G215-F251 CarbonylContact C-O 3.51Å; G215-F251 WeakPolarHBondContact CA-O 3.5Å; F216-F251 PolarHBondContact N-O 3.04Å; F251-V253 HydrophobicContact CE1-CB 3.96Å; F251-V253 HydrophobicContact CE1-CG1 3.85Å; F251-V253 HydrophobicContact CZ-CB 4.04Å; F251-V253 HydrophobicContact CZ-CG1 4.41Å; F251-R274 HydrophobicContact CE2-CG 4.05Å; F251-R274 HydrophobicContact CZ-CG 4.46Å; F251-L313 HydrophobicContact CE1-CD1 4.48Å; F251-I354 HydrophobicContact CE2-CD1 3.7Å; F251-I354 HydrophobicContact CZ-CD1 3.76Å |
| 252 | I | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 131.9 | 175.9 | -53.8 | -64.9 | 0 | 0 | 0 | 109.5 | F25 F216 I218 L233 P250 L272 R274 | F25-I252 HydrophobicContact CB-CB 4.07Å; F25-I252 HydrophobicContact CB-CG1 3.82Å; F25-I252 HydrophobicContact CD1-CD1 4.43Å; F25-I252 HydrophobicContact CD1-CG1 3.54Å; F25-I252 HydrophobicContact CE1-CG1 4.34Å; F25-I252 HydrophobicContact CG-CG1 3.91Å; F25-I252 PolarHBondContact O-N 3.36Å; F216-I252 HydrophobicContact CB-CD1 4.1Å; F216-I252 HydrophobicContact CD2-CD1 3.77Å; F216-I252 HydrophobicContact CG-CD1 4.44Å; F216-I252 WeakPolarHBondContact O-CA 3.26Å; I218-I252 HydrophobicContact CG1-CG2 3.94Å; L233-I252 HydrophobicContact CD1-CG1 4.49Å; L233-I252 HydrophobicContact CD1-CG2 4.5Å; L233-I252 HydrophobicContact CD2-CD1 3.73Å; L233-I252 HydrophobicContact CD2-CG1 3.94Å; P250-I252 HydrophobicContact CB-CD1 4.49Å; P250-I252 HydrophobicContact CG-CD1 4.47Å; I252-L272 WeakPolarHBondContact CG2-O 3.19Å; I252-R274 PolarHBondContact O-N 2.83Å |
| 253 | V | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 120.4 | 166.1 | 59.8 | 0 | 0 | 0 | 0 | 109.9 | F216 R217 I218 F251 R274 T276 L313 | F216-V253 PolarHBondContact O-N 3.45Å; R217-V253 CarbonylContact C-O 3.59Å; R217-V253 VanDerWaalsContact CA-O 3.25Å; R217-V253 WeakPolarHBondContact CA-O 3.49Å; R217-V253 HydrophobicContact CB-CG1 3.65Å; R217-V253 HydrophobicContact CG-CG1 3.89Å; I218-V253 PolarHBondContact N-O 3.2Å; F251-V253 HydrophobicContact CE1-CB 3.96Å; F251-V253 HydrophobicContact CE1-CG1 3.85Å; F251-V253 HydrophobicContact CZ-CB 4.04Å; F251-V253 HydrophobicContact CZ-CG1 4.41Å; V253-R274 CarbonylContact C-O 3.56Å; V253-R274 WeakPolarHBondContact CA-O 3.24Å; V253-R274 HydrophobicContact CB-CB 4.34Å; V253-R274 HydrophobicContact CG2-CB 4.25Å; V253-T276 HydrophobicContact CG2-CG2 3.98Å; V253-L313 HydrophobicContact CB-CD1 4.43Å; V253-L313 HydrophobicContact CG1-CD1 4.13Å; V253-L313 HydrophobicContact CG2-CB 3.76Å; V253-L313 HydrophobicContact CG2-CD1 4.17Å |
| 254 | N | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 125.7 | -178 | -62.7 | -78.7 | 0 | 0 | 0 | 109.8 | A221 V256 L272 R274 I275 T276 | A221-N254 HydrophobicContact CB-CB 3.66Å; N254-V256 HydrophobicContact CB-CG2 4.17Å; N254-V256 PolarHBondContact O-N 2.89Å; N254-V256 VanDerWaalsContact O-N 3.1Å; N254-L272 PolarHBondContact ND2-O 3.46Å; N254-R274 PolarHBondContact N-O 2.91Å; N254-R274 PolarHBondContact ND2-O 2.93Å; N254-R274 VanDerWaalsContact ND2-O 3.13Å; N254-I275 HydrophobicContact CB-CG2 4.33Å; N254-I275 WeakPolarHBondContact O-CA 3.19Å; N254-T276 PolarHBondContact O-N 3.11Å; N254-T276 PolarHBondContact O-OG1 3.07Å |
| 255 | E | 98.3 | Very high | 95.7 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 6% | 0.056 | 21% | 0.206 | C | C | . | . | trans | -74.9 | 101.5 | 170.7 | -168.9 | -136.9 | -141.1 | 0 | 0 | 110.8 | R217 I218 A220 A221 K222 T276 F278 | R217-E255 IonicContact NH2-OE1 2.73Å; R217-E255 PolarHBondContact NH2-OE1 3.3Å; R217-E255 IonicContact NH2-OE2 3.34Å; I218-E255 VanDerWaalsContact O-CB 3.27Å; I218-E255 WeakPolarHBondContact O-CB 3.44Å; I218-E255 PolarHBondContact O-N 3.44Å; A220-E255 VanDerWaalsContact CA-OE2 3.3Å; A220-E255 WeakPolarHBondContact CA-OE2 3.42Å; A220-E255 PolarHBondContact N-OE2 3.37Å; A220-E255 VanDerWaalsContact N-OE2 3.08Å; A221-E255 WeakPolarHBondContact CA-O 3.28Å; A221-E255 WeakPolarHBondContact CB-O 3.38Å; A221-E255 PolarHBondContact N-O 2.68Å; K222-E255 PolarHBondContact N-O 3.39Å; E255-T276 WeakPolarHBondContact CA-OG1 3.04Å; E255-F278 HydrophobicContact CG-CE2 3.96Å; E255-F278 HydrophobicContact CG-CZ 4.13Å | ||
| 256 | V | 97.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | trans | -121 | 104.1 | 174.7 | -171.1 | 0 | 0 | 0 | 0 | 108.8 | A221 K222 N254 D258 Y269 I275 T276 | A221-V256 HydrophobicContact CB-CG2 4.33Å; K222-V256 HydrophobicContact CB-CG1 4.26Å; K222-V256 HydrophobicContact CG-CG1 4.46Å; N254-V256 HydrophobicContact CB-CG2 4.17Å; N254-V256 PolarHBondContact O-N 2.89Å; N254-V256 VanDerWaalsContact O-N 3.1Å; V256-D258 VanDerWaalsContact C-N 3.3Å; V256-D258 HydrophobicContact CG1-CB 4.41Å; V256-D258 PolarHBondContact O-N 3.06Å; V256-Y269 HydrophobicContact CG1-CD2 4.23Å; V256-Y269 HydrophobicContact CG1-CE2 4.28Å; V256-Y269 HydrophobicContact CG2-CD1 4.17Å; V256-Y269 HydrophobicContact CG2-CD2 3.6Å; V256-Y269 HydrophobicContact CG2-CE2 4.05Å; V256-Y269 HydrophobicContact CG2-CG 3.67Å; V256-I275 HydrophobicContact CG2-CG2 4.28Å; V256-T276 PolarHBondContact N-OG1 2.95Å | ||
| 257 | I | 94.4 | Very high | 95.8 | Very high | 23 Ų | 23 | 30.6 Ų | 30.6 | 12% | 0.118 | 18% | 0.178 | C | C | . | . | trans | -72 | 90 | 172.6 | -58.8 | 164.9 | 0 | 0 | 0 | 108.1 | K222 E262 F278 | K222-I257 HydrophobicContact CD-CB 4.26Å; K222-I257 WeakPolarHBondContact CD-O 3.34Å; K222-I257 WeakPolarHBondContact CE-O 3.5Å; K222-I257 PolarHBondContact NZ-O 2.99Å; I257-E262 WeakPolarHBondContact O-CG 3.42Å; I257-F278 HydrophobicContact CB-CD2 4.39Å; I257-F278 HydrophobicContact CB-CE2 4.34Å; I257-F278 HydrophobicContact CD1-CZ 4.43Å; I257-F278 HydrophobicContact CG1-CD2 4.1Å; I257-F278 HydrophobicContact CG1-CE1 4.07Å; I257-F278 HydrophobicContact CG1-CE2 3.59Å; I257-F278 HydrophobicContact CG1-CZ 3.58Å | ||
| 258 | D | 94.2 | Very high | 95.9 | Very high | 8 Ų | 8 | 27.9 Ų | 27.9 | 4% | 0.043 | 16% | 0.161 | C | C | . | . | trans | -120 | 106.4 | 171.5 | -176 | -1.6 | 0 | 0 | 0 | 110.4 | V256 G260 K265 G266 W307 | V256-D258 VanDerWaalsContact C-N 3.3Å; V256-D258 HydrophobicContact CG1-CB 4.41Å; V256-D258 PolarHBondContact O-N 3.06Å; D258-G260 PolarHBondContact OD1-N 2.83Å; D258-K265 WeakPolarHBondContact OD2-CA 3.32Å; D258-G266 PolarHBondContact OD2-N 2.97Å; D258-W307 HydrophobicContact CB-CH2 3.95Å; D258-W307 HydrophobicContact CB-CZ2 4.31Å; D258-W307 VanDerWaalsContact OD2-CZ2 3.32Å; D258-W307 WeakPolarHBondContact OD2-CZ2 3.32Å | ||
| 259 | Q | 91.2 | Very high | 95.9 | Very high | 59 Ų | 59 | 25.3 Ų | 25.3 | 28% | 0.276 | 15% | 0.15 | S | C | . | . | trans | -100.8 | 8 | 178 | -62.1 | -172.1 | -2.9 | 0 | 0 | 113.3 | P261 F278 L282 G327 | Q259-P261 WeakPolarHBondContact O-CD 3.41Å; Q259-F278 HydrophobicContact CG-CB 4.27Å; Q259-L282 HydrophobicContact CG-CD1 4.03Å; Q259-G327 PolarHBondContact NE2-O 3.42Å | ||
| 260 | G | 88.9 | Confident | 95.9 | Very high | 32 Ų | 32 | 26.6 Ų | 26.6 | 33% | 0.33 | 16% | 0.158 | S | C | . | . | S | Bend | trans | 116.9 | -61 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D258 E262 K265 | D258-G260 PolarHBondContact OD1-N 2.83Å; G260-E262 VanDerWaalsContact C-N 3.31Å; G260-E262 PolarHBondContact O-N 3.38Å; G260-K265 PolarHBondContact O-NZ 2.97Å |
| 261 | P | 89.7 | Confident | 95.7 | Very high | 104 Ų | 104 | 30 Ų | 30 | 68% | 0.675 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -84.3 | 1.4 | -174.8 | 33.4 | -34.6 | 0 | 0 | 0 | 114.5 | Q259 | Q259-P261 WeakPolarHBondContact O-CD 3.41Š|
| 262 | E | 92 | Very high | 95.6 | Very high | 43 Ų | 43 | 30.1 Ų | 30.1 | 20% | 0.201 | 18% | 0.182 | C | C | . | . | trans | -65.6 | 143.6 | -174 | -62.1 | -63 | 147 | 0 | 0 | 112.7 | K222 I257 G260 I264 K265 | K222-E262 IonicContact NZ-OE2 3.13Å; K222-E262 PolarHBondContact NZ-OE2 2.93Å; I257-E262 WeakPolarHBondContact O-CG 3.42Å; G260-E262 VanDerWaalsContact C-N 3.31Å; G260-E262 PolarHBondContact O-N 3.38Å; E262-I264 VanDerWaalsContact C-N 3.3Å; E262-I264 WeakPolarHBondContact CB-O 3.48Å; E262-I264 PolarHBondContact O-N 2.93Å; E262-K265 WeakPolarHBondContact O-CD 3.45Å; E262-K265 WeakPolarHBondContact O-CE 3.45Å; E262-K265 PolarHBondContact O-NZ 2.61Å | ||
| 263 | A | 94.9 | Very high | 95.6 | Very high | 36 Ų | 36 | 30.1 Ų | 30.1 | 30% | 0.298 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -67.9 | -31.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N174 P176 | N174-A263 WeakPolarHBondContact O-CB 3.38Å; P176-A263 HydrophobicContact CG-CB 4.06Å |
| 264 | I | 97.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -98 | 131.2 | 173.1 | -64.2 | 179.2 | 0 | 0 | 0 | 108.6 | P176 V179 R180 K222 E262 Y269 | P176-I264 HydrophobicContact CB-CD1 4.44Å; P176-I264 HydrophobicContact CB-CG1 4.07Å; P176-I264 HydrophobicContact CG-CG1 4.43Å; V179-I264 HydrophobicContact CB-CD1 3.8Å; V179-I264 HydrophobicContact CG1-CD1 3.42Å; V179-I264 VanDerWaalsContact CG1-CD1 3.42Å; R180-I264 HydrophobicContact CG-CD1 3.91Å; K222-I264 HydrophobicContact CG-CB 4.18Å; K222-I264 HydrophobicContact CG-CD1 4.2Å; K222-I264 HydrophobicContact CG-CG2 4.09Å; K222-I264 WeakPolarHBondContact O-CD1 3.48Å; E262-I264 VanDerWaalsContact C-N 3.3Å; E262-I264 WeakPolarHBondContact CB-O 3.48Å; E262-I264 PolarHBondContact O-N 2.93Å; I264-Y269 HydrophobicContact CG2-CE2 3.69Å |
| 265 | K | 97 | Very high | 95.5 | Very high | 72 Ų | 72 | 31.6 Ų | 31.6 | 31% | 0.313 | 19% | 0.188 | S | C | . | . | trans | -103 | 145.1 | -175.8 | -57.6 | -54.1 | -173.2 | -172.5 | 0 | 111.9 | D258 G260 E262 S267 E268 | D258-K265 WeakPolarHBondContact OD2-CA 3.32Å; G260-K265 PolarHBondContact O-NZ 2.97Å; E262-K265 WeakPolarHBondContact O-CD 3.45Å; E262-K265 WeakPolarHBondContact O-CE 3.45Å; E262-K265 PolarHBondContact O-NZ 2.61Å; K265-S267 PolarHBondContact O-N 2.97Å; K265-E268 PolarHBondContact N-OE1 3.06Å; K265-E268 WeakPolarHBondContact O-CB 3.25Å; K265-E268 PolarHBondContact O-N 2.99Å; K265-E268 VanDerWaalsContact O-N 3.11Å | ||
| 266 | G | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -57 | -31.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D258 E268 Y269 | D258-G266 PolarHBondContact OD2-N 2.97Å; G266-E268 PolarHBondContact O-N 3.08Å; G266-E268 VanDerWaalsContact O-N 3.13Å; G266-Y269 PolarHBondContact O-N 3.4Å |
| 267 | S | 96.6 | Very high | 95.5 | Very high | 70 Ų | 70 | 31.1 Ų | 31.1 | 49% | 0.49 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -64.4 | -16.1 | 179.2 | 54.4 | 0 | 0 | 0 | 0 | 114.3 | K265 Y269 W307 | K265-S267 PolarHBondContact O-N 2.97Å; S267-Y269 PolarHBondContact O-N 2.93Å; S267-W307 VanDerWaalsContact N-NE1 3.1Å |
| 268 | E | 97.7 | Very high | 95.5 | Very high | 68 Ų | 68 | 30.3 Ų | 30.3 | 32% | 0.318 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -72.7 | -14.3 | 174.2 | -64.1 | 174.7 | -117.4 | 0 | 0 | 112.3 | R180 P226 K265 G266 | R180-E268 IonicContact CZ-OE2 3.79Å; R180-E268 IonicContact NH1-OE2 3.67Å; R180-E268 PolarHBondContact NH1-OE2 3.03Å; R180-E268 IonicContact NH2-OE2 3.76Å; R180-E268 PolarHBondContact NH2-OE2 3.03Å; P226-E268 HydrophobicContact CG-CB 4.13Å; K265-E268 PolarHBondContact N-OE1 3.06Å; K265-E268 WeakPolarHBondContact O-CB 3.25Å; K265-E268 PolarHBondContact O-N 2.99Å; K265-E268 VanDerWaalsContact O-N 3.11Å; G266-E268 PolarHBondContact O-N 3.08Å; G266-E268 VanDerWaalsContact O-N 3.13Å |
| 269 | Y | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118 | -6.3 | -171.6 | -61.9 | -98.3 | 0 | 0 | 0 | 114 | R180 A221 K222 M224 P226 I229 V256 I264 G266 S267 S271 L272 | R180-Y269 PolarHBondContact NE-OH 3.45Å; R180-Y269 PolarHBondContact NH2-OH 3.49Å; A221-Y269 WeakPolarHBondContact O-CE1 3.16Å; A221-Y269 PolarHBondContact O-OH 3.32Å; K222-Y269 PolarHBondContact O-OH 3.03Å; M224-Y269 PolarHBondContact O-OH 2.96Å; P226-Y269 HydrophobicContact CB-CE1 4.44Å; P226-Y269 HydrophobicContact CG-CD1 4.21Å; P226-Y269 HydrophobicContact CG-CE1 3.84Å; P226-Y269 HydrophobicContact CG-CE2 4.2Å; I229-Y269 HydrophobicContact CD1-CD1 3.96Å; I229-Y269 HydrophobicContact CD1-CE1 3.78Å; V256-Y269 HydrophobicContact CG1-CD2 4.23Å; V256-Y269 HydrophobicContact CG1-CE2 4.28Å; V256-Y269 HydrophobicContact CG2-CD1 4.17Å; V256-Y269 HydrophobicContact CG2-CD2 3.6Å; V256-Y269 HydrophobicContact CG2-CE2 4.05Å; V256-Y269 HydrophobicContact CG2-CG 3.67Å; I264-Y269 HydrophobicContact CG2-CE2 3.69Å; G266-Y269 PolarHBondContact O-N 3.4Å; S267-Y269 PolarHBondContact O-N 2.93Å; Y269-S271 PolarHBondContact O-N 2.87Å; Y269-L272 HydrophobicContact CD1-CD1 4.17Å; Y269-L272 WeakPolarHBondContact O-CB 3.43Å; Y269-L272 PolarHBondContact O-N 2.81Å |
| 270 | T | 95.9 | Very high | 95.8 | Very high | 30 Ų | 30 | 29.8 Ų | 29.8 | 18% | 0.184 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -68 | -15.6 | -177 | 57.3 | 0 | 0 | 0 | 0 | 113.5 | L272 G273 I275 W307 D311 | T270-L272 PolarHBondContact O-N 3.21Å; T270-G273 CarbonylContact C-O 3.45Å; T270-I275 HydrophobicContact CG2-CD1 4.27Å; T270-I275 HydrophobicContact CG2-CG1 4.5Å; T270-I275 HydrophobicContact CG2-CG2 4.35Å; T270-W307 HydrophobicContact CG2-CG 4.45Å; T270-D311 HydrophobicContact CG2-CB 3.9Å |
| 271 | S | 95 | Very high | 96.2 | Very high | 70 Ų | 70 | 28.3 Ų | 28.3 | 49% | 0.49 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -81.4 | 1.4 | 170.1 | 63 | 0 | 0 | 0 | 0 | 113.7 | Y269 | Y269-S271 PolarHBondContact O-N 2.87Š|
| 272 | L | 96.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -117.4 | 27.8 | -174 | -53 | 177.2 | 0 | 0 | 0 | 111.4 | P226 I229 W230 L233 I252 N254 Y269 T270 | P226-L272 HydrophobicContact CB-CD1 3.75Å; P226-L272 WeakPolarHBondContact O-CD1 3.21Å; I229-L272 HydrophobicContact CB-CD1 4.02Å; I229-L272 HydrophobicContact CG2-CD1 4.02Å; W230-L272 HydrophobicContact CB-CD2 3.75Å; W230-L272 HydrophobicContact CD2-CD2 4.39Å; W230-L272 HydrophobicContact CE3-CD2 3.84Å; W230-L272 HydrophobicContact CG-CD2 4.4Å; L233-L272 HydrophobicContact CD1-CB 4.03Å; L233-L272 HydrophobicContact CD1-CD2 4.48Å; I252-L272 WeakPolarHBondContact CG2-O 3.19Å; N254-L272 PolarHBondContact ND2-O 3.46Å; Y269-L272 HydrophobicContact CD1-CD1 4.17Å; Y269-L272 WeakPolarHBondContact O-CB 3.43Å; Y269-L272 PolarHBondContact O-N 2.81Å; T270-L272 PolarHBondContact O-N 3.21Å |
| 273 | G | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 95.2 | -164.4 | -164.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D26 T270 | D26-G273 WeakPolarHBondContact OD1-CA 3.4Å; T270-G273 CarbonylContact C-O 3.45Å |
| 274 | R | 97.9 | Very high | 96.8 | Very high | 30 Ų | 30 | 22.5 Ų | 22.5 | 11% | 0.113 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 171.6 | -178.5 | -60 | -169.1 | -178.3 | -116.6 | -9.5 | 112.4 | D26 F251 I252 V253 N254 D309 H310 D311 V312 I354 | D26-R274 HydrophobicContact CB-CG 4.4Å; D26-R274 PolarHBondContact O-NE 3.48Å; D26-R274 PolarHBondContact O-NH2 2.72Å; D26-R274 PolarHBondContact OD1-N 2.96Å; F251-R274 HydrophobicContact CE2-CG 4.05Å; F251-R274 HydrophobicContact CZ-CG 4.46Å; I252-R274 PolarHBondContact O-N 2.83Å; V253-R274 CarbonylContact C-O 3.56Å; V253-R274 WeakPolarHBondContact CA-O 3.24Å; V253-R274 HydrophobicContact CB-CB 4.34Å; V253-R274 HydrophobicContact CG2-CB 4.25Å; N254-R274 PolarHBondContact N-O 2.91Å; N254-R274 PolarHBondContact ND2-O 2.93Å; N254-R274 VanDerWaalsContact ND2-O 3.13Å; R274-D309 PolarHBondContact NH1-O 2.01Å; R274-D309 VanDerWaalsContact NH1-O 3.12Å; R274-H310 PolarHBondContact NE-O 2.84Å; R274-H310 PolarHBondContact NH1-O 3.48Å; R274-H310 VanDerWaalsContact NH1-O 3.09Å; R274-H310 PolarHBondContact NH2-O 2.65Å; R274-D311 CarbonylContact C-O 3.41Å; R274-D311 WeakPolarHBondContact CA-O 3.39Å; R274-D311 WeakPolarHBondContact CB-O 3.4Å; R274-V312 PolarHBondContact NH1-O 2.75Å; R274-V312 VanDerWaalsContact NH1-O 3.1Å; R274-I354 VanDerWaalsContact NE-CD1 3.33Å |
| 275 | I | 98.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 154.7 | 169.3 | 63.7 | 171 | 0 | 0 | 0 | 111.7 | N254 V256 T270 N277 W307 D311 V312 L313 | N254-I275 HydrophobicContact CB-CG2 4.33Å; N254-I275 WeakPolarHBondContact O-CA 3.19Å; V256-I275 HydrophobicContact CG2-CG2 4.28Å; T270-I275 HydrophobicContact CG2-CD1 4.27Å; T270-I275 HydrophobicContact CG2-CG1 4.5Å; T270-I275 HydrophobicContact CG2-CG2 4.35Å; I275-N277 PolarHBondContact O-N 3.24Å; I275-W307 HydrophobicContact CD1-CD2 3.44Å; I275-W307 VanDerWaalsContact CD1-CD2 3.44Å; I275-W307 VanDerWaalsContact CD1-CE2 3.5Å; I275-W307 HydrophobicContact CD1-CE3 3.73Å; I275-W307 HydrophobicContact CD1-CG 3.85Å; I275-W307 HydrophobicContact CD1-CH2 4.14Å; I275-W307 HydrophobicContact CD1-CZ2 3.88Å; I275-W307 HydrophobicContact CD1-CZ3 4.06Å; I275-D311 PolarHBondContact N-O 3.14Å; I275-V312 HydrophobicContact CG1-CG1 4.13Å; I275-V312 WeakPolarHBondContact O-CA 3.14Å; I275-L313 PolarHBondContact O-N 3.24Å |
| 276 | T | 98.1 | Very high | 96.8 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 2% | 0.018 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 116 | 168.6 | 50.7 | 0 | 0 | 0 | 0 | 111.2 | V253 N254 E255 V256 F278 F315 | V253-T276 HydrophobicContact CG2-CG2 3.98Å; N254-T276 PolarHBondContact O-N 3.11Å; N254-T276 PolarHBondContact O-OG1 3.07Å; E255-T276 WeakPolarHBondContact CA-OG1 3.04Å; V256-T276 PolarHBondContact N-OG1 2.95Å; T276-F278 PolarHBondContact O-N 2.93Å; T276-F278 VanDerWaalsContact OG1-CE2 3.23Å; T276-F278 WeakPolarHBondContact OG1-CE2 3.35Å; T276-F315 HydrophobicContact CG2-CE1 4.04Å |
| 277 | N | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -86.6 | 91.6 | 178.9 | -174.9 | -11.9 | 0 | 0 | 0 | 111.8 | I275 R279 Y280 Y306 V312 L313 V314 | I275-N277 PolarHBondContact O-N 3.24Å; N277-R279 VanDerWaalsContact C-N 3.28Å; N277-R279 PolarHBondContact O-N 2.85Å; N277-R279 WeakPolarHBondContact OD1-CB 3.28Å; N277-R279 PolarHBondContact OD1-N 3.4Å; N277-R279 VanDerWaalsContact OD1-N 3.13Å; N277-Y280 WeakPolarHBondContact O-CB 3.37Å; N277-Y280 PolarHBondContact O-N 2.93Å; N277-Y280 PolarHBondContact OD1-N 2.89Å; N277-Y306 WeakPolarHBondContact ND2-CD2 3.48Å; N277-V312 HydrophobicContact CB-CB 4.3Å; N277-V312 HydrophobicContact CB-CG1 4.24Å; N277-L313 PolarHBondContact N-O 3.29Å; N277-V314 HydrophobicContact CB-CG1 4.26Å | ||
| 278 | F | 95.3 | Very high | 97 | Very high | 6 Ų | 6 | 16.4 Ų | 16.4 | 3% | 0.026 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68 | -21.3 | 178.4 | -79.7 | -95.4 | 0 | 0 | 0 | 114.3 | E255 I257 Q259 T276 Y280 F315 G326 | E255-F278 HydrophobicContact CG-CE2 3.96Å; E255-F278 HydrophobicContact CG-CZ 4.13Å; I257-F278 HydrophobicContact CB-CD2 4.39Å; I257-F278 HydrophobicContact CB-CE2 4.34Å; I257-F278 HydrophobicContact CD1-CZ 4.43Å; I257-F278 HydrophobicContact CG1-CD2 4.1Å; I257-F278 HydrophobicContact CG1-CE1 4.07Å; I257-F278 HydrophobicContact CG1-CE2 3.59Å; I257-F278 HydrophobicContact CG1-CZ 3.58Å; Q259-F278 HydrophobicContact CG-CB 4.27Å; T276-F278 PolarHBondContact O-N 2.93Å; T276-F278 VanDerWaalsContact OG1-CE2 3.23Å; T276-F278 WeakPolarHBondContact OG1-CE2 3.35Å; F278-Y280 VanDerWaalsContact C-N 3.32Å; F278-F315 HydrophobicContact CD1-CE2 4.23Å; F278-F315 HydrophobicContact CD1-CZ 4.02Å; F278-F315 HydrophobicContact CD2-CZ 4.22Å; F278-F315 HydrophobicContact CE1-CE2 4.26Å; F278-F315 AromaticContact CE1-CZ 3.95Å; F278-F315 HydrophobicContact CE1-CZ 3.95Å; F278-F315 HydrophobicContact CE2-CZ 4.17Å; F278-F315 HydrophobicContact CG-CZ 4.15Å; F278-F315 HydrophobicContact CZ-CZ 4.04Å; F278-G326 WeakPolarHBondContact CE1-O 3.3Å |
| 279 | R | 95.2 | Very high | 97 | Very high | 56 Ų | 56 | 15 Ų | 15 | 21% | 0.211 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -70.1 | -32.2 | 176 | -64.9 | 170.4 | 61.5 | -158.8 | -9.8 | 111.7 | N277 L282 D283 W304 A305 Y306 | N277-R279 VanDerWaalsContact C-N 3.28Å; N277-R279 PolarHBondContact O-N 2.85Å; N277-R279 WeakPolarHBondContact OD1-CB 3.28Å; N277-R279 PolarHBondContact OD1-N 3.4Å; N277-R279 VanDerWaalsContact OD1-N 3.13Å; R279-L282 PolarHBondContact O-N 3.36Å; R279-D283 WeakPolarHBondContact O-CB 3.25Å; R279-D283 PolarHBondContact O-N 2.84Å; R279-W304 PolarHBondContact NH2-O 3.21Å; R279-A305 PolarHBondContact NH1-O 3.1Å; R279-Y306 HydrophobicContact CB-CD1 4.32Å; R279-Y306 HydrophobicContact CB-CE1 3.63Å; R279-Y306 PolarHBondContact O-OH 2.93Å |
| 280 | Y | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.1 | -54.9 | -177.8 | -172.9 | -83.7 | 0 | 0 | 0 | 112.3 | N277 F278 L282 D283 L284 F300 Y306 V314 M347 Y352 | N277-Y280 WeakPolarHBondContact O-CB 3.37Å; N277-Y280 PolarHBondContact O-N 2.93Å; N277-Y280 PolarHBondContact OD1-N 2.89Å; F278-Y280 VanDerWaalsContact C-N 3.32Å; Y280-L282 PolarHBondContact O-N 3.07Å; Y280-D283 PolarHBondContact O-N 3.46Å; Y280-L284 HydrophobicContact CE1-CD2 3.82Å; Y280-L284 WeakPolarHBondContact O-CB 3.32Å; Y280-L284 PolarHBondContact O-N 3.14Å; Y280-F300 HydrophobicContact CD1-CE1 4.37Å; Y280-F300 HydrophobicContact CD2-CD1 4.27Å; Y280-F300 AromaticContact CD2-CE1 3.58Å; Y280-F300 HydrophobicContact CD2-CE1 3.58Å; Y280-F300 HydrophobicContact CD2-CZ 4.03Å; Y280-F300 HydrophobicContact CE1-CE1 4.07Å; Y280-F300 AromaticContact CE2-CD1 3.66Å; Y280-F300 HydrophobicContact CE2-CD1 3.66Å; Y280-F300 AromaticContact CE2-CE1 3.22Å; Y280-F300 HydrophobicContact CE2-CE1 3.22Å; Y280-F300 HydrophobicContact CE2-CZ 4.13Å; Y280-F300 HydrophobicContact CG-CE1 4.15Å; Y280-F300 HydrophobicContact CG-CZ 4.34Å; Y280-F300 AromaticContact CZ-CE1 3.5Å; Y280-Y306 HydrophobicContact CD2-CE2 4.15Å; Y280-V314 HydrophobicContact CD1-CB 3.77Å; Y280-V314 HydrophobicContact CD1-CG1 4.35Å; Y280-V314 HydrophobicContact CD1-CG2 4.43Å; Y280-V314 HydrophobicContact CD2-CB 3.94Å; Y280-V314 HydrophobicContact CD2-CG1 3.62Å; Y280-V314 HydrophobicContact CE1-CB 4.03Å; Y280-V314 HydrophobicContact CE1-CG2 4.18Å; Y280-V314 HydrophobicContact CE2-CB 4.17Å; Y280-V314 HydrophobicContact CE2-CG1 4.05Å; Y280-V314 HydrophobicContact CE2-CG2 4.32Å; Y280-V314 HydrophobicContact CG-CB 3.72Å; Y280-V314 HydrophobicContact CG-CG1 3.79Å; Y280-M347 HydrophobicContact CE1-CB 4.03Å; Y280-M347 HydrophobicContact CE1-CG 3.72Å; Y280-M347 HydrophobicContact CE1-SD 4.02Å; Y280-M347 WeakPolarHBondContact OH-CA 3.49Å; Y280-Y352 AromaticContact CD2-CD1 3.82Å; Y280-Y352 HydrophobicContact CD2-CD1 3.82Å; Y280-Y352 HydrophobicContact CD2-CE1 4Å; Y280-Y352 AromaticContact CE2-CD1 3.68Å; Y280-Y352 HydrophobicContact CE2-CD1 3.68Å; Y280-Y352 HydrophobicContact CE2-CE1 4.33Å |
| 281 | G | 96.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.4 | -38.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S285 F315 V316 | G281-S285 WeakPolarHBondContact O-CB 3.23Å; G281-S285 PolarHBondContact O-N 3.32Å; G281-S285 PolarHBondContact O-OG 3.2Å; G281-F315 WeakPolarHBondContact CA-O 3.48Å; G281-F315 PolarHBondContact N-O 2.81Å; G281-V316 WeakPolarHBondContact CA-O 3.48Å |
| 282 | L | 95.3 | Very high | 97 | Very high | 37 Ų | 37 | 25 Ų | 25 | 19% | 0.194 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.1 | -49.7 | 174.9 | -73.9 | 172.6 | 0 | 0 | 0 | 111.7 | Q259 R279 Y280 S285 A286 G329 V331 | Q259-L282 HydrophobicContact CG-CD1 4.03Å; R279-L282 PolarHBondContact O-N 3.36Å; Y280-L282 PolarHBondContact O-N 3.07Å; L282-S285 PolarHBondContact O-N 2.8Å; L282-A286 WeakPolarHBondContact O-CB 3.38Å; L282-A286 PolarHBondContact O-N 3.06Å; L282-G329 WeakPolarHBondContact CD2-O 3.5Å; L282-V331 HydrophobicContact CD2-CG1 3.77Å; L282-V331 HydrophobicContact CG-CG1 4.22Å |
| 283 | D | 96.5 | Very high | 97.1 | Very high | 24 Ų | 24 | 26.3 Ų | 26.3 | 13% | 0.128 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.7 | -40 | -177.9 | -77.8 | -7.1 | 0 | 0 | 0 | 111.3 | R279 Y280 S285 A286 G287 K292 Y297 F300 W304 Y306 | R279-D283 WeakPolarHBondContact O-CB 3.25Å; R279-D283 PolarHBondContact O-N 2.84Å; Y280-D283 PolarHBondContact O-N 3.46Å; D283-S285 VanDerWaalsContact C-N 3.35Å; D283-S285 PolarHBondContact O-N 3.07Å; D283-A286 WeakPolarHBondContact O-CB 3.42Å; D283-A286 PolarHBondContact O-N 2.94Å; D283-G287 PolarHBondContact O-N 3.26Å; D283-K292 HydrophobicContact CB-CD 4.42Å; D283-K292 WeakPolarHBondContact OD1-CE 3.44Å; D283-K292 IonicContact OD1-NZ 2.73Å; D283-K292 PolarHBondContact OD1-NZ 3.28Å; D283-K292 IonicContact OD2-NZ 3.72Å; D283-K292 PolarHBondContact OD2-NZ 2.68Å; D283-Y297 PolarHBondContact O-OH 2.96Å; D283-F300 HydrophobicContact CB-CE2 3.82Å; D283-F300 HydrophobicContact CB-CZ 4.13Å; D283-W304 HydrophobicContact CB-CE3 4.49Å; D283-W304 HydrophobicContact CB-CZ3 4.12Å; D283-W304 WeakPolarHBondContact OD2-CZ3 3.41Å; D283-Y306 VanDerWaalsContact CB-OH 3.31Å; D283-Y306 WeakPolarHBondContact CB-OH 3.32Å; D283-Y306 VanDerWaalsContact CG-OH 3.28Å; D283-Y306 PolarHBondContact OD2-OH 3.5Å |
| 284 | L | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.5 | -41.2 | 176 | -170.5 | 50.5 | 0 | 0 | 0 | 111.9 | Y280 G287 V288 F294 Y297 F300 V316 A343 F346 M347 | Y280-L284 HydrophobicContact CE1-CD2 3.82Å; Y280-L284 WeakPolarHBondContact O-CB 3.32Å; Y280-L284 PolarHBondContact O-N 3.14Å; L284-G287 PolarHBondContact O-N 2.77Å; L284-V288 PolarHBondContact O-N 2.91Å; L284-V288 VanDerWaalsContact O-N 3.1Å; L284-F294 HydrophobicContact CD1-CE1 3.98Å; L284-F294 HydrophobicContact CD1-CZ 4.14Å; L284-Y297 HydrophobicContact CD1-CD1 4.48Å; L284-Y297 HydrophobicContact CD1-CE1 4.02Å; L284-F300 HydrophobicContact CB-CE1 4.42Å; L284-F300 HydrophobicContact CB-CZ 4.16Å; L284-V316 HydrophobicContact CD2-CG2 4.2Å; L284-A343 HydrophobicContact CD2-CB 4.15Å; L284-A343 VanDerWaalsContact CD2-O 3.29Å; L284-A343 WeakPolarHBondContact CD2-O 3.38Å; L284-A343 HydrophobicContact CG-CB 3.9Å; L284-F346 HydrophobicContact CD1-CB 4.14Å; L284-F346 HydrophobicContact CD1-CD1 3.56Å; L284-F346 HydrophobicContact CD1-CE1 4.27Å; L284-F346 HydrophobicContact CD1-CG 3.98Å; L284-F346 HydrophobicContact CD2-CD1 4.14Å; L284-M347 HydrophobicContact CD2-CB 4.12Å |
| 285 | S | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64 | -39.4 | 174.3 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | G281 L282 D283 G287 V288 N289 S330 V331 L332 | G281-S285 WeakPolarHBondContact O-CB 3.23Å; G281-S285 PolarHBondContact O-N 3.32Å; G281-S285 PolarHBondContact O-OG 3.2Å; L282-S285 PolarHBondContact O-N 2.8Å; D283-S285 VanDerWaalsContact C-N 3.35Å; D283-S285 PolarHBondContact O-N 3.07Å; S285-G287 VanDerWaalsContact C-N 3.31Å; S285-G287 PolarHBondContact O-N 3.37Å; S285-V288 PolarHBondContact O-N 3.31Å; S285-N289 WeakPolarHBondContact O-CB 3.34Å; S285-N289 PolarHBondContact O-N 2.95Å; S285-N289 PolarHBondContact O-ND2 3.13Å; S285-S330 WeakPolarHBondContact CB-O 3.21Å; S285-V331 WeakPolarHBondContact OG-CA 3.46Å; S285-L332 PolarHBondContact OG-N 3.23Å |
| 286 | A | 97.2 | Very high | 97.1 | Very high | 15 Ų | 15 | 33.7 Ų | 33.7 | 12% | 0.124 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.7 | -37.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L282 D283 H290 F291 K292 | L282-A286 WeakPolarHBondContact O-CB 3.38Å; L282-A286 PolarHBondContact O-N 3.06Å; D283-A286 WeakPolarHBondContact O-CB 3.42Å; D283-A286 PolarHBondContact O-N 2.94Å; A286-H290 PolarHBondContact O-N 3.13Å; A286-H290 VanDerWaalsContact O-N 3.16Å; A286-F291 HydrophobicContact CB-CB 4.05Å; A286-F291 WeakPolarHBondContact O-CA 3.19Å; A286-F291 PolarHBondContact O-N 3.49Å; A286-K292 HydrophobicContact CB-CB 4.29Å; A286-K292 HydrophobicContact CB-CD 4.1Å; A286-K292 HydrophobicContact CB-CG 3.86Å; A286-K292 PolarHBondContact O-N 2.92Å |
| 287 | G | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.6 | -49.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D283 L284 S285 N289 H290 K292 Y297 N462 | D283-G287 PolarHBondContact O-N 3.26Å; L284-G287 PolarHBondContact O-N 2.77Å; S285-G287 VanDerWaalsContact C-N 3.31Å; S285-G287 PolarHBondContact O-N 3.37Å; G287-N289 VanDerWaalsContact C-N 3.34Å; G287-N289 PolarHBondContact O-N 3.38Å; G287-H290 PolarHBondContact O-N 2.78Å; G287-K292 WeakPolarHBondContact CA-O 3.36Å; G287-Y297 VanDerWaalsContact CA-OH 3.26Å; G287-Y297 WeakPolarHBondContact CA-OH 3.23Å; G287-Y297 PolarHBondContact N-OH 3.24Å; G287-N462 PolarHBondContact O-ND2 3.17Å |
| 288 | V | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.7 | -38.1 | 178.4 | 176 | 0 | 0 | 0 | 0 | 111.8 | L284 S285 H290 F294 L332 R339 M342 A343 N462 | L284-V288 PolarHBondContact O-N 2.91Å; L284-V288 VanDerWaalsContact O-N 3.1Å; S285-V288 PolarHBondContact O-N 3.31Å; V288-H290 PolarHBondContact O-N 3.08Å; V288-F294 HydrophobicContact CG2-CE2 4Å; V288-F294 HydrophobicContact CG2-CZ 3.78Å; V288-L332 HydrophobicContact CB-CD1 3.56Å; V288-L332 HydrophobicContact CG1-CD1 3.57Å; V288-L332 HydrophobicContact CG2-CD1 4.01Å; V288-R339 HydrophobicContact CG1-CB 3.73Å; V288-R339 HydrophobicContact CG1-CG 3.97Å; V288-M342 HydrophobicContact CG1-SD 4.28Å; V288-M342 HydrophobicContact CG2-CB 4.42Å; V288-M342 HydrophobicContact CG2-CG 4.18Å; V288-M342 HydrophobicContact CG2-SD 4.11Å; V288-A343 HydrophobicContact CG2-CB 4.18Å; V288-N462 WeakPolarHBondContact CA-ND2 3.12Å; V288-N462 PolarHBondContact O-ND2 2.66Å; V288-N462 PolarHBondContact O-OD1 3.21Å |
| 289 | N | 97.2 | Very high | 97.1 | Very high | 39 Ų | 39 | 38.4 Ų | 38.4 | 21% | 0.209 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 6.7 | 177 | -70.9 | -38 | 0 | 0 | 0 | 114.3 | S285 G287 F291 R339 | S285-N289 WeakPolarHBondContact O-CB 3.34Å; S285-N289 PolarHBondContact O-N 2.95Å; S285-N289 PolarHBondContact O-ND2 3.13Å; G287-N289 VanDerWaalsContact C-N 3.34Å; G287-N289 PolarHBondContact O-N 3.38Å; N289-F291 VanDerWaalsContact C-N 3.25Å; N289-F291 HydrophobicContact CB-CD2 3.85Å; N289-F291 HydrophobicContact CB-CE2 3.76Å; N289-F291 HydrophobicContact CB-CZ 4.44Å; N289-F291 PolarHBondContact O-N 3.38Å; N289-R339 PolarHBondContact OD1-NH1 2.99Å |
| 290 | H | 96.6 | Very high | 97.3 | Very high | 75 Ų | 75 | 35.9 Ų | 35.9 | 35% | 0.347 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 17.9 | 179.5 | -51.1 | -80.2 | 0 | 0 | 0 | 115.9 | A286 G287 V288 N446 N462 R514 | A286-H290 PolarHBondContact O-N 3.13Å; A286-H290 VanDerWaalsContact O-N 3.16Å; G287-H290 PolarHBondContact O-N 2.78Å; V288-H290 PolarHBondContact O-N 3.08Å; H290-N446 PolarHBondContact ND1-OD1 3.07Å; H290-N462 PolarHBondContact CE1-ND2 2.72Å; H290-N462 PolarHBondContact CE1-O 3.39Å; H290-R514 PolarHBondContact NE2-NH1 3.03Å; H290-R514 PolarHBondContact NE2-NH2 3.1Å |
| 291 | F | 96.4 | Very high | 97.3 | Very high | 161 Ų | 161 | 36 Ų | 36 | 71% | 0.706 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -79.8 | -24.6 | 167.2 | -55.7 | -45.6 | 0 | 0 | 0 | 111.9 | A286 N289 | A286-F291 HydrophobicContact CB-CB 4.05Å; A286-F291 WeakPolarHBondContact O-CA 3.19Å; A286-F291 PolarHBondContact O-N 3.49Å; N289-F291 VanDerWaalsContact C-N 3.25Å; N289-F291 HydrophobicContact CB-CD2 3.85Å; N289-F291 HydrophobicContact CB-CE2 3.76Å; N289-F291 HydrophobicContact CB-CZ 4.44Å; N289-F291 PolarHBondContact O-N 3.38Å |
| 292 | K | 96.9 | Very high | 97.3 | Very high | 74 Ų | 74 | 41.3 Ų | 41.3 | 32% | 0.322 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -124.1 | 165.6 | 166.4 | -65.2 | -171.1 | -179.9 | -164.5 | 0 | 109.1 | D283 A286 G287 Y297 W304 | D283-K292 HydrophobicContact CB-CD 4.42Å; D283-K292 WeakPolarHBondContact OD1-CE 3.44Å; D283-K292 IonicContact OD1-NZ 2.73Å; D283-K292 PolarHBondContact OD1-NZ 3.28Å; D283-K292 IonicContact OD2-NZ 3.72Å; D283-K292 PolarHBondContact OD2-NZ 2.68Å; A286-K292 HydrophobicContact CB-CB 4.29Å; A286-K292 HydrophobicContact CB-CD 4.1Å; A286-K292 HydrophobicContact CB-CG 3.86Å; A286-K292 PolarHBondContact O-N 2.92Å; G287-K292 WeakPolarHBondContact CA-O 3.36Å; K292-Y297 HydrophobicContact CB-CE2 4.2Å; K292-Y297 WeakPolarHBondContact CB-OH 3.47Å; K292-W304 HydrophobicContact CD-CH2 3.99Å; K292-W304 HydrophobicContact CD-CZ3 3.75Å |
| 293 | N | 97.9 | Very high | 97.4 | Very high | 31 Ų | 31 | 41.9 Ų | 41.9 | 17% | 0.166 | 22% | 0.221 | C | C | . | . | trans | -116.6 | 125.1 | -175.2 | -164.7 | -38.9 | 0 | 0 | 0 | 110.9 | M295 H296 Y297 D445 N446 | N293-M295 HydrophobicContact CB-CG 4.03Å; N293-M295 PolarHBondContact O-N 3.48Å; N293-M295 WeakPolarHBondContact OD1-CB 3.26Å; N293-M295 WeakPolarHBondContact OD1-CG 3.35Å; N293-M295 PolarHBondContact OD1-N 3.43Å; N293-H296 PolarHBondContact O-N 3.31Å; N293-Y297 VanDerWaalsContact O-CD2 3.26Å; N293-Y297 WeakPolarHBondContact O-CD2 3.21Å; N293-Y297 WeakPolarHBondContact O-CE2 3.44Å; N293-D445 PolarHBondContact ND2-OD1 2.93Å; N293-N446 WeakPolarHBondContact OD1-CA 3.34Å; N293-N446 PolarHBondContact OD1-N 3.35Å | ||
| 294 | F | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -55.4 | -19 | 176.5 | -82.6 | -74.1 | 0 | 0 | 0 | 113.8 | L284 V288 H296 Y297 M342 F346 I448 L460 N462 | L284-F294 HydrophobicContact CD1-CE1 3.98Å; L284-F294 HydrophobicContact CD1-CZ 4.14Å; V288-F294 HydrophobicContact CG2-CE2 4Å; V288-F294 HydrophobicContact CG2-CZ 3.78Å; F294-H296 PolarHBondContact O-N 3.4Å; F294-Y297 AromaticContact CD1-CD1 3.93Å; F294-Y297 HydrophobicContact CD1-CD1 3.93Å; F294-Y297 HydrophobicContact CD1-CD2 4.26Å; F294-Y297 HydrophobicContact CD1-CE1 4.34Å; F294-Y297 AromaticContact CD1-CG 3.89Å; F294-Y297 HydrophobicContact CD1-CG 3.89Å; F294-Y297 AromaticContact CE1-CD1 4Å; F294-Y297 HydrophobicContact CE1-CD1 4Å; F294-Y297 HydrophobicContact CE1-CE1 4.15Å; F294-Y297 HydrophobicContact CE1-CG 4.43Å; F294-Y297 PolarHBondContact O-N 3.38Å; F294-Y297 VanDerWaalsContact O-N 3.08Å; F294-M342 HydrophobicContact CE2-SD 4.42Å; F294-F346 HydrophobicContact CD1-CD2 4.44Å; F294-F346 HydrophobicContact CD1-CE2 4.41Å; F294-F346 HydrophobicContact CE1-CD2 4.02Å; F294-F346 HydrophobicContact CE1-CE2 4.35Å; F294-F346 HydrophobicContact CE1-CG 4.25Å; F294-I448 HydrophobicContact CB-CG2 4.26Å; F294-I448 HydrophobicContact CD1-CG2 4.03Å; F294-I448 HydrophobicContact CG-CG2 4.44Å; F294-L460 HydrophobicContact CD1-CD2 4.16Å; F294-L460 HydrophobicContact CD2-CD2 3.71Å; F294-L460 HydrophobicContact CE1-CD1 3.95Å; F294-L460 HydrophobicContact CE1-CD2 4.23Å; F294-L460 HydrophobicContact CE2-CD1 4.41Å; F294-L460 HydrophobicContact CE2-CD2 3.79Å; F294-L460 HydrophobicContact CG-CD2 3.9Å; F294-L460 HydrophobicContact CZ-CD1 3.89Å; F294-L460 HydrophobicContact CZ-CD2 4.05Å; F294-N462 HydrophobicContact CD2-CB 3.67Å; F294-N462 HydrophobicContact CE2-CB 3.79Å |
| 295 | M | 97.6 | Very high | 97.3 | Very high | 76 Ų | 76 | 46.4 Ų | 46.4 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -58.6 | -22.1 | 174.5 | 78.8 | -178.2 | -74.7 | 0 | 0 | 113.9 | N293 T443 E444 | N293-M295 HydrophobicContact CB-CG 4.03Å; N293-M295 PolarHBondContact O-N 3.48Å; N293-M295 WeakPolarHBondContact OD1-CB 3.26Å; N293-M295 WeakPolarHBondContact OD1-CG 3.35Å; N293-M295 PolarHBondContact OD1-N 3.43Å; M295-T443 WeakPolarHBondContact O-CB 3.47Å; M295-T443 PolarHBondContact O-OG1 3.02Å; M295-E444 VanDerWaalsContact CB-O 3.23Å; M295-E444 WeakPolarHBondContact CB-O 3.45Å |
| 296 | H | 97.7 | Very high | 97.2 | Very high | 110 Ų | 110 | 47.1 Ų | 47.1 | 51% | 0.509 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -100.4 | 3.1 | -178.9 | -57.3 | -54.5 | 0 | 0 | 0 | 113.8 | N293 F294 G298 N299 W304 | N293-H296 PolarHBondContact O-N 3.31Å; F294-H296 PolarHBondContact O-N 3.4Å; H296-G298 VanDerWaalsContact C-N 3.25Å; H296-G298 PolarHBondContact O-N 2.92Å; H296-N299 PolarHBondContact O-OD1 3.26Å; H296-W304 HydrophobicContact CB-CZ2 4.28Å; H296-W304 WeakPolarHBondContact O-CZ2 3.16Å; H296-W304 PolarHBondContact O-NE1 3.35Å |
| 297 | Y | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -86.1 | 3.6 | -173.7 | -78.7 | -124.4 | 0 | 0 | 0 | 112.8 | D283 L284 G287 K292 N293 F294 N299 F300 W304 F346 | D283-Y297 PolarHBondContact O-OH 2.96Å; L284-Y297 HydrophobicContact CD1-CD1 4.48Å; L284-Y297 HydrophobicContact CD1-CE1 4.02Å; G287-Y297 VanDerWaalsContact CA-OH 3.26Å; G287-Y297 WeakPolarHBondContact CA-OH 3.23Å; G287-Y297 PolarHBondContact N-OH 3.24Å; K292-Y297 HydrophobicContact CB-CE2 4.2Å; K292-Y297 WeakPolarHBondContact CB-OH 3.47Å; N293-Y297 VanDerWaalsContact O-CD2 3.26Å; N293-Y297 WeakPolarHBondContact O-CD2 3.21Å; N293-Y297 WeakPolarHBondContact O-CE2 3.44Å; F294-Y297 AromaticContact CD1-CD1 3.93Å; F294-Y297 HydrophobicContact CD1-CD1 3.93Å; F294-Y297 HydrophobicContact CD1-CD2 4.26Å; F294-Y297 HydrophobicContact CD1-CE1 4.34Å; F294-Y297 AromaticContact CD1-CG 3.89Å; F294-Y297 HydrophobicContact CD1-CG 3.89Å; F294-Y297 AromaticContact CE1-CD1 4Å; F294-Y297 HydrophobicContact CE1-CD1 4Å; F294-Y297 HydrophobicContact CE1-CE1 4.15Å; F294-Y297 HydrophobicContact CE1-CG 4.43Å; F294-Y297 PolarHBondContact O-N 3.38Å; F294-Y297 VanDerWaalsContact O-N 3.08Å; Y297-N299 PolarHBondContact O-N 3.28Å; Y297-F300 HydrophobicContact CD1-CB 4.27Å; Y297-F300 HydrophobicContact CD1-CD1 4.3Å; Y297-F300 AromaticContact CD1-CD2 3.8Å; Y297-F300 HydrophobicContact CD1-CD2 3.8Å; Y297-F300 HydrophobicContact CD1-CE2 4.15Å; Y297-F300 AromaticContact CD1-CG 3.89Å; Y297-F300 HydrophobicContact CD1-CG 3.89Å; Y297-F300 HydrophobicContact CD1-CZ 4.5Å; Y297-F300 AromaticContact CE1-CD2 3.93Å; Y297-F300 HydrophobicContact CE1-CD2 3.93Å; Y297-F300 AromaticContact CE1-CE2 3.8Å; Y297-F300 HydrophobicContact CE1-CE2 3.8Å; Y297-F300 HydrophobicContact CE1-CG 4.37Å; Y297-F300 HydrophobicContact CE1-CZ 4.1Å; Y297-F300 HydrophobicContact CG-CD2 4.45Å; Y297-F300 VanDerWaalsContact O-CB 3.3Å; Y297-F300 WeakPolarHBondContact O-CB 3.49Å; Y297-F300 PolarHBondContact O-N 3.22Å; Y297-W304 AromaticContact CD2-CH2 3.98Å; Y297-W304 HydrophobicContact CD2-CH2 3.98Å; Y297-W304 AromaticContact CD2-CZ2 3.83Å; Y297-W304 HydrophobicContact CD2-CZ2 3.83Å; Y297-W304 AromaticContact CE2-CH2 3.55Å; Y297-W304 HydrophobicContact CE2-CH2 3.55Å; Y297-W304 AromaticContact CE2-CZ2 3.91Å; Y297-W304 HydrophobicContact CE2-CZ2 3.91Å; Y297-W304 HydrophobicContact CG-CZ2 4.32Å; Y297-W304 AromaticContact CZ-CH2 3.86Å; Y297-F346 HydrophobicContact CD1-CE1 4.1Å; Y297-F346 HydrophobicContact CD1-CZ 4.04Å |
| 298 | G | 96.9 | Very high | 97.1 | Very high | 25 Ų | 25 | 49.3 Ų | 49.3 | 26% | 0.258 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -66.4 | -6.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | H296 W350 M441 | H296-G298 VanDerWaalsContact C-N 3.25Å; H296-G298 PolarHBondContact O-N 2.92Å; G298-W350 WeakPolarHBondContact O-CH2 3.06Å; G298-M441 WeakPolarHBondContact CA-SD 3.42Å |
| 299 | N | 96.8 | Very high | 97 | Very high | 83 Ų | 83 | 52.6 Ų | 52.6 | 44% | 0.444 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -134.7 | 26.6 | 171.8 | 68.2 | -19.2 | 0 | 0 | 0 | 111.8 | H296 Y297 G301 G303 W304 | H296-N299 PolarHBondContact O-OD1 3.26Å; Y297-N299 PolarHBondContact O-N 3.28Å; N299-G301 PolarHBondContact O-N 2.76Å; N299-G303 PolarHBondContact ND2-O 3.22Å; N299-G303 WeakPolarHBondContact O-CA 2.99Å; N299-G303 PolarHBondContact O-N 2.96Å; N299-W304 VanDerWaalsContact O-CD1 3.3Å; N299-W304 VanDerWaalsContact OD1-CD1 3.31Å; N299-W304 PolarHBondContact OD1-NE1 2.66Å |
| 300 | F | 98 | Very high | 96.9 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 1% | 0.013 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 122.7 | -178.8 | -168.3 | -120.3 | 0 | 0 | 0 | 110.5 | Y280 D283 L284 Y297 W304 Y306 F346 W350 | Y280-F300 HydrophobicContact CD1-CE1 4.37Å; Y280-F300 HydrophobicContact CD2-CD1 4.27Å; Y280-F300 AromaticContact CD2-CE1 3.58Å; Y280-F300 HydrophobicContact CD2-CE1 3.58Å; Y280-F300 HydrophobicContact CD2-CZ 4.03Å; Y280-F300 HydrophobicContact CE1-CE1 4.07Å; Y280-F300 AromaticContact CE2-CD1 3.66Å; Y280-F300 HydrophobicContact CE2-CD1 3.66Å; Y280-F300 AromaticContact CE2-CE1 3.22Å; Y280-F300 HydrophobicContact CE2-CE1 3.22Å; Y280-F300 HydrophobicContact CE2-CZ 4.13Å; Y280-F300 HydrophobicContact CG-CE1 4.15Å; Y280-F300 HydrophobicContact CG-CZ 4.34Å; Y280-F300 AromaticContact CZ-CE1 3.5Å; D283-F300 HydrophobicContact CB-CE2 3.82Å; D283-F300 HydrophobicContact CB-CZ 4.13Å; L284-F300 HydrophobicContact CB-CE1 4.42Å; L284-F300 HydrophobicContact CB-CZ 4.16Å; Y297-F300 HydrophobicContact CD1-CB 4.27Å; Y297-F300 HydrophobicContact CD1-CD1 4.3Å; Y297-F300 AromaticContact CD1-CD2 3.8Å; Y297-F300 HydrophobicContact CD1-CD2 3.8Å; Y297-F300 HydrophobicContact CD1-CE2 4.15Å; Y297-F300 AromaticContact CD1-CG 3.89Å; Y297-F300 HydrophobicContact CD1-CG 3.89Å; Y297-F300 HydrophobicContact CD1-CZ 4.5Å; Y297-F300 AromaticContact CE1-CD2 3.93Å; Y297-F300 HydrophobicContact CE1-CD2 3.93Å; Y297-F300 AromaticContact CE1-CE2 3.8Å; Y297-F300 HydrophobicContact CE1-CE2 3.8Å; Y297-F300 HydrophobicContact CE1-CG 4.37Å; Y297-F300 HydrophobicContact CE1-CZ 4.1Å; Y297-F300 HydrophobicContact CG-CD2 4.45Å; Y297-F300 VanDerWaalsContact O-CB 3.3Å; Y297-F300 WeakPolarHBondContact O-CB 3.49Å; Y297-F300 PolarHBondContact O-N 3.22Å; F300-W304 AromaticContact CD2-CD2 3.79Å; F300-W304 HydrophobicContact CD2-CD2 3.79Å; F300-W304 AromaticContact CD2-CE2 3.86Å; F300-W304 HydrophobicContact CD2-CE3 4Å; F300-W304 HydrophobicContact CD2-CG 4.22Å; F300-W304 HydrophobicContact CD2-CH2 4.36Å; F300-W304 HydrophobicContact CD2-CZ2 4.17Å; F300-W304 HydrophobicContact CD2-CZ3 4.27Å; F300-W304 HydrophobicContact CE2-CD2 4.29Å; F300-W304 HydrophobicContact CE2-CE3 4.03Å; F300-W304 HydrophobicContact CE2-CZ3 4.15Å; F300-Y306 HydrophobicContact CD2-CE2 4.49Å; F300-Y306 HydrophobicContact CE2-CE2 4.11Å; F300-Y306 HydrophobicContact CZ-CE2 4.31Å; F300-F346 AromaticContact CD1-CE1 3.67Å; F300-F346 HydrophobicContact CD1-CE1 3.67Å; F300-F346 HydrophobicContact CD1-CZ 4.48Å; F300-F346 HydrophobicContact CE1-CE1 4.19Å; F300-F346 HydrophobicContact CG-CE1 4.35Å; F300-W350 HydrophobicContact CB-CZ2 4.41Å; F300-W350 PolarHBondContact O-NE1 3.06Å |
| 301 | G | 97.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 128.4 | -136.2 | -165.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | N299 G303 W304 Y306 | N299-G301 PolarHBondContact O-N 2.76Å; G301-G303 PolarHBondContact O-N 3.06Å; G301-G303 VanDerWaalsContact O-N 3.16Å; G301-W304 WeakPolarHBondContact O-CA 3.33Å; G301-W304 WeakPolarHBondContact O-CB 3.3Å; G301-W304 PolarHBondContact O-N 2.8Å; G301-Y306 WeakPolarHBondContact O-CB 3.49Å; G301-Y306 WeakPolarHBondContact O-CD2 3.29Å |
| 302 | E | 96.8 | Very high | 97 | Very high | 113 Ų | 113 | 45.5 Ų | 45.5 | 53% | 0.528 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -54.1 | -34.8 | 178.3 | -67.1 | 179.5 | -153.4 | 0 | 0 | 113.3 | W304 A305 W307 A308 D309 Y352 | E302-W304 PolarHBondContact O-N 3.17Å; E302-A305 WeakPolarHBondContact O-CA 3.41Å; E302-A305 PolarHBondContact O-N 3.26Å; E302-W307 WeakPolarHBondContact CG-O 3.34Å; E302-A308 VanDerWaalsContact OE1-CA 3.28Å; E302-A308 WeakPolarHBondContact OE1-CA 3.39Å; E302-D309 PolarHBondContact OE1-N 2.89Å; E302-Y352 HydrophobicContact CG-CE2 4.26Å |
| 303 | G | 96.8 | Very high | 97 | Very high | 49 Ų | 49 | 42 Ų | 42 | 51% | 0.505 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -63.3 | -13.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N299 G301 | N299-G303 PolarHBondContact ND2-O 3.22Å; N299-G303 WeakPolarHBondContact O-CA 2.99Å; N299-G303 PolarHBondContact O-N 2.96Å; G301-G303 PolarHBondContact O-N 3.06Å; G301-G303 VanDerWaalsContact O-N 3.16Å |
| 304 | W | 96.5 | Very high | 97.1 | Very high | 44 Ų | 44 | 40.5 Ų | 40.5 | 17% | 0.167 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -102.5 | 18.4 | 175.2 | -73.5 | 49.1 | 0 | 0 | 0 | 112.1 | R279 D283 K292 H296 Y297 N299 F300 G301 E302 Y306 | R279-W304 PolarHBondContact NH2-O 3.21Å; D283-W304 HydrophobicContact CB-CE3 4.49Å; D283-W304 HydrophobicContact CB-CZ3 4.12Å; D283-W304 WeakPolarHBondContact OD2-CZ3 3.41Å; K292-W304 HydrophobicContact CD-CH2 3.99Å; K292-W304 HydrophobicContact CD-CZ3 3.75Å; H296-W304 HydrophobicContact CB-CZ2 4.28Å; H296-W304 WeakPolarHBondContact O-CZ2 3.16Å; H296-W304 PolarHBondContact O-NE1 3.35Å; Y297-W304 AromaticContact CD2-CH2 3.98Å; Y297-W304 HydrophobicContact CD2-CH2 3.98Å; Y297-W304 AromaticContact CD2-CZ2 3.83Å; Y297-W304 HydrophobicContact CD2-CZ2 3.83Å; Y297-W304 AromaticContact CE2-CH2 3.55Å; Y297-W304 HydrophobicContact CE2-CH2 3.55Å; Y297-W304 AromaticContact CE2-CZ2 3.91Å; Y297-W304 HydrophobicContact CE2-CZ2 3.91Å; Y297-W304 HydrophobicContact CG-CZ2 4.32Å; Y297-W304 AromaticContact CZ-CH2 3.86Å; N299-W304 VanDerWaalsContact O-CD1 3.3Å; N299-W304 VanDerWaalsContact OD1-CD1 3.31Å; N299-W304 PolarHBondContact OD1-NE1 2.66Å; F300-W304 AromaticContact CD2-CD2 3.79Å; F300-W304 HydrophobicContact CD2-CD2 3.79Å; F300-W304 AromaticContact CD2-CE2 3.86Å; F300-W304 HydrophobicContact CD2-CE3 4Å; F300-W304 HydrophobicContact CD2-CG 4.22Å; F300-W304 HydrophobicContact CD2-CH2 4.36Å; F300-W304 HydrophobicContact CD2-CZ2 4.17Å; F300-W304 HydrophobicContact CD2-CZ3 4.27Å; F300-W304 HydrophobicContact CE2-CD2 4.29Å; F300-W304 HydrophobicContact CE2-CE3 4.03Å; F300-W304 HydrophobicContact CE2-CZ3 4.15Å; G301-W304 WeakPolarHBondContact O-CA 3.33Å; G301-W304 WeakPolarHBondContact O-CB 3.3Å; G301-W304 PolarHBondContact O-N 2.8Å; E302-W304 PolarHBondContact O-N 3.17Å; W304-Y306 HydrophobicContact CB-CD1 4.33Å; W304-Y306 HydrophobicContact CB-CE1 4.16Å; W304-Y306 HydrophobicContact CB-CE2 4.37Å; W304-Y306 PolarHBondContact O-N 3.3Å |
| 305 | A | 95.5 | Very high | 97.1 | Very high | 76 Ų | 76 | 40.6 Ų | 40.6 | 63% | 0.628 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 39.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112 | R279 E302 | R279-A305 PolarHBondContact NH1-O 3.1Å; E302-A305 WeakPolarHBondContact O-CA 3.41Å; E302-A305 PolarHBondContact O-N 3.26Å |
| 306 | Y | 96.8 | Very high | 97.1 | Very high | 15 Ų | 15 | 37 Ų | 37 | 6% | 0.059 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -84.4 | 170.5 | 160.9 | -57.9 | -18.1 | 0 | 0 | 0 | 109.8 | N277 R279 Y280 D283 F300 G301 W304 Y352 | N277-Y306 WeakPolarHBondContact ND2-CD2 3.48Å; R279-Y306 HydrophobicContact CB-CD1 4.32Å; R279-Y306 HydrophobicContact CB-CE1 3.63Å; R279-Y306 PolarHBondContact O-OH 2.93Å; Y280-Y306 HydrophobicContact CD2-CE2 4.15Å; D283-Y306 VanDerWaalsContact CB-OH 3.31Å; D283-Y306 WeakPolarHBondContact CB-OH 3.32Å; D283-Y306 VanDerWaalsContact CG-OH 3.28Å; D283-Y306 PolarHBondContact OD2-OH 3.5Å; F300-Y306 HydrophobicContact CD2-CE2 4.49Å; F300-Y306 HydrophobicContact CE2-CE2 4.11Å; F300-Y306 HydrophobicContact CZ-CE2 4.31Å; G301-Y306 WeakPolarHBondContact O-CB 3.49Å; G301-Y306 WeakPolarHBondContact O-CD2 3.29Å; W304-Y306 HydrophobicContact CB-CD1 4.33Å; W304-Y306 HydrophobicContact CB-CE1 4.16Å; W304-Y306 HydrophobicContact CB-CE2 4.37Å; W304-Y306 PolarHBondContact O-N 3.3Å; Y306-Y352 WeakPolarHBondContact CB-OH 3.39Å; Y306-Y352 AromaticContact CD2-CE1 3.86Å; Y306-Y352 HydrophobicContact CD2-CE1 3.86Å |
| 307 | W | 97 | Very high | 97.1 | Very high | 36 Ų | 36 | 31.8 Ų | 31.8 | 14% | 0.136 | 19% | 0.187 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 168.4 | 171.9 | -57.3 | -94.6 | 0 | 0 | 0 | 112.1 | D258 S267 T270 I275 E302 D311 V312 Y352 | D258-W307 HydrophobicContact CB-CH2 3.95Å; D258-W307 HydrophobicContact CB-CZ2 4.31Å; D258-W307 VanDerWaalsContact OD2-CZ2 3.32Å; D258-W307 WeakPolarHBondContact OD2-CZ2 3.32Å; S267-W307 VanDerWaalsContact N-NE1 3.1Å; T270-W307 HydrophobicContact CG2-CG 4.45Å; I275-W307 HydrophobicContact CD1-CD2 3.44Å; I275-W307 VanDerWaalsContact CD1-CD2 3.44Å; I275-W307 VanDerWaalsContact CD1-CE2 3.5Å; I275-W307 HydrophobicContact CD1-CE3 3.73Å; I275-W307 HydrophobicContact CD1-CG 3.85Å; I275-W307 HydrophobicContact CD1-CH2 4.14Å; I275-W307 HydrophobicContact CD1-CZ2 3.88Å; I275-W307 HydrophobicContact CD1-CZ3 4.06Å; E302-W307 WeakPolarHBondContact CG-O 3.34Å; W307-D311 HydrophobicContact CB-CB 4.05Å; W307-V312 HydrophobicContact CB-CG1 3.75Å; W307-V312 HydrophobicContact CE3-CG1 4.33Å; W307-V312 HydrophobicContact CG-CG1 4.49Å; W307-Y352 PolarHBondContact O-OH 2.93Å |
| 308 | A | 96.8 | Very high | 97 | Very high | 24 Ų | 24 | 31.9 Ų | 31.9 | 20% | 0.198 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -60.3 | 151.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E302 H310 D311 | E302-A308 VanDerWaalsContact OE1-CA 3.28Å; E302-A308 WeakPolarHBondContact OE1-CA 3.39Å; A308-H310 VanDerWaalsContact CB-CE1 3.5Å; A308-H310 WeakPolarHBondContact CB-CE1 3.33Å; A308-H310 PolarHBondContact O-N 2.85Å; A308-D311 WeakPolarHBondContact CB-OD2 3.48Å; A308-D311 WeakPolarHBondContact O-CB 3.3Å; A308-D311 PolarHBondContact O-N 2.9Å |
| 309 | D | 95.5 | Very high | 96.9 | Very high | 70 Ų | 70 | 30.8 Ų | 30.8 | 37% | 0.374 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -50.3 | -40.4 | 178.7 | 175 | 66.8 | 0 | 0 | 0 | 113.6 | R274 E302 D311 Y352 G353 | R274-D309 PolarHBondContact NH1-O 2.01Å; R274-D309 VanDerWaalsContact NH1-O 3.12Å; E302-D309 PolarHBondContact OE1-N 2.89Å; D309-D311 VanDerWaalsContact C-N 3.28Å; D309-D311 PolarHBondContact O-N 3.34Å; D309-Y352 HydrophobicContact CB-CD2 4.22Å; D309-Y352 HydrophobicContact CB-CE2 4.43Å; D309-Y352 WeakPolarHBondContact OD1-CA 2.74Å; D309-G353 PolarHBondContact OD1-N 2.82Å |
| 310 | H | 94.3 | Very high | 96.6 | Very high | 104 Ų | 104 | 27.8 Ų | 27.8 | 48% | 0.481 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -75.4 | -12.5 | -179.7 | 67.3 | -86.6 | 0 | 0 | 0 | 114.2 | R274 A308 | R274-H310 PolarHBondContact NE-O 2.84Å; R274-H310 PolarHBondContact NH1-O 3.48Å; R274-H310 VanDerWaalsContact NH1-O 3.09Å; R274-H310 PolarHBondContact NH2-O 2.65Å; A308-H310 VanDerWaalsContact CB-CE1 3.5Å; A308-H310 WeakPolarHBondContact CB-CE1 3.33Å; A308-H310 PolarHBondContact O-N 2.85Å |
| 311 | D | 96.7 | Very high | 96.2 | Very high | 21 Ų | 21 | 28.2 Ų | 28.2 | 11% | 0.112 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -91.7 | -6.9 | -176.8 | -68.6 | -32 | 0 | 0 | 0 | 113.3 | T270 R274 I275 W307 A308 D309 | T270-D311 HydrophobicContact CG2-CB 3.9Å; R274-D311 CarbonylContact C-O 3.41Å; R274-D311 WeakPolarHBondContact CA-O 3.39Å; R274-D311 WeakPolarHBondContact CB-O 3.4Å; I275-D311 PolarHBondContact N-O 3.14Å; W307-D311 HydrophobicContact CB-CB 4.05Å; A308-D311 WeakPolarHBondContact CB-OD2 3.48Å; A308-D311 WeakPolarHBondContact O-CB 3.3Å; A308-D311 PolarHBondContact O-N 2.9Å; D309-D311 VanDerWaalsContact C-N 3.28Å; D309-D311 PolarHBondContact O-N 3.34Å |
| 312 | V | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 144.6 | -164.3 | -61.7 | 0 | 0 | 0 | 0 | 115 | R274 I275 N277 W307 V314 Y352 G353 I354 | R274-V312 PolarHBondContact NH1-O 2.75Å; R274-V312 VanDerWaalsContact NH1-O 3.1Å; I275-V312 HydrophobicContact CG1-CG1 4.13Å; I275-V312 WeakPolarHBondContact O-CA 3.14Å; N277-V312 HydrophobicContact CB-CB 4.3Å; N277-V312 HydrophobicContact CB-CG1 4.24Å; W307-V312 HydrophobicContact CB-CG1 3.75Å; W307-V312 HydrophobicContact CE3-CG1 4.33Å; W307-V312 HydrophobicContact CG-CG1 4.49Å; V312-V314 HydrophobicContact CB-CG1 4.49Å; V312-V314 HydrophobicContact CG2-CG1 4.13Å; V312-Y352 HydrophobicContact CG2-CD1 4.42Å; V312-Y352 HydrophobicContact CG2-CE1 3.73Å; V312-Y352 HydrophobicContact CG2-CE2 4.17Å; V312-G353 WeakPolarHBondContact O-CA 3.02Å; V312-I354 PolarHBondContact O-N 3.36Å; V312-I354 VanDerWaalsContact O-N 3.1Å |
| 313 | L | 98.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 131.3 | 156.9 | -177.3 | 156.9 | 0 | 0 | 0 | 107.8 | F251 V253 I275 N277 F315 I354 R356 | F251-L313 HydrophobicContact CE1-CD1 4.48Å; V253-L313 HydrophobicContact CB-CD1 4.43Å; V253-L313 HydrophobicContact CG1-CD1 4.13Å; V253-L313 HydrophobicContact CG2-CB 3.76Å; V253-L313 HydrophobicContact CG2-CD1 4.17Å; I275-L313 PolarHBondContact O-N 3.24Å; N277-L313 PolarHBondContact N-O 3.29Å; L313-F315 HydrophobicContact CD2-CD1 3.76Å; L313-F315 HydrophobicContact CD2-CE1 4.33Å; L313-I354 CarbonylContact C-O 3.45Å; L313-I354 WeakPolarHBondContact CA-O 3.39Å; L313-I354 HydrophobicContact CD1-CG2 4.46Å; L313-I354 HydrophobicContact CG-CB 4.45Å; L313-I354 HydrophobicContact CG-CG2 4.43Å; L313-I354 WeakPolarHBondContact CG-O 3.21Å; L313-R356 HydrophobicContact CD1-CB 4.48Å; L313-R356 HydrophobicContact CD2-CB 3.73Å; L313-R356 HydrophobicContact CG-CB 4.32Å |
| 314 | V | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 151 | -176 | -61 | 0 | 0 | 0 | 0 | 111.1 | N277 Y280 V312 M347 Y352 I354 P355 R356 | N277-V314 HydrophobicContact CB-CG1 4.26Å; Y280-V314 HydrophobicContact CD1-CB 3.77Å; Y280-V314 HydrophobicContact CD1-CG1 4.35Å; Y280-V314 HydrophobicContact CD1-CG2 4.43Å; Y280-V314 HydrophobicContact CD2-CB 3.94Å; Y280-V314 HydrophobicContact CD2-CG1 3.62Å; Y280-V314 HydrophobicContact CE1-CB 4.03Å; Y280-V314 HydrophobicContact CE1-CG2 4.18Å; Y280-V314 HydrophobicContact CE2-CB 4.17Å; Y280-V314 HydrophobicContact CE2-CG1 4.05Å; Y280-V314 HydrophobicContact CE2-CG2 4.32Å; Y280-V314 HydrophobicContact CG-CB 3.72Å; Y280-V314 HydrophobicContact CG-CG1 3.79Å; V312-V314 HydrophobicContact CB-CG1 4.49Å; V312-V314 HydrophobicContact CG2-CG1 4.13Å; V314-M347 HydrophobicContact CG2-CG 4.2Å; V314-M347 HydrophobicContact CG2-SD 4.27Å; V314-Y352 HydrophobicContact CG1-CD1 3.85Å; V314-Y352 HydrophobicContact CG1-CE1 3.79Å; V314-Y352 WeakPolarHBondContact CG2-O 3.29Å; V314-I354 PolarHBondContact N-O 2.9Å; V314-P355 HydrophobicContact CG2-CB 4.29Å; V314-P355 CarbonylContact O-C 3.49Å; V314-P355 WeakPolarHBondContact O-CA 3.35Å; V314-R356 PolarHBondContact O-N 3.3Å |
| 315 | F | 98.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | trans | -155.3 | 156.2 | 177.4 | 49.9 | -90.7 | 0 | 0 | 0 | 109.8 | T276 F278 G281 L313 D317 N318 M347 R356 | T276-F315 HydrophobicContact CG2-CE1 4.04Å; F278-F315 HydrophobicContact CD1-CE2 4.23Å; F278-F315 HydrophobicContact CD1-CZ 4.02Å; F278-F315 HydrophobicContact CD2-CZ 4.22Å; F278-F315 HydrophobicContact CE1-CE2 4.26Å; F278-F315 AromaticContact CE1-CZ 3.95Å; F278-F315 HydrophobicContact CE1-CZ 3.95Å; F278-F315 HydrophobicContact CE2-CZ 4.17Å; F278-F315 HydrophobicContact CG-CZ 4.15Å; F278-F315 HydrophobicContact CZ-CZ 4.04Å; G281-F315 WeakPolarHBondContact CA-O 3.48Å; G281-F315 PolarHBondContact N-O 2.81Å; L313-F315 HydrophobicContact CD2-CD1 3.76Å; L313-F315 HydrophobicContact CD2-CE1 4.33Å; F315-D317 WeakPolarHBondContact CB-O 3.45Å; F315-D317 WeakPolarHBondContact CD2-O 3.26Å; F315-N318 HydrophobicContact CD2-CB 4.1Å; F315-N318 HydrophobicContact CE2-CB 3.95Å; F315-M347 VanDerWaalsContact CA-SD 3.54Å; F315-R356 WeakPolarHBondContact CB-O 3.28Å; F315-R356 VanDerWaalsContact CD1-NH2 3.28Å | ||
| 316 | V | 98.3 | Very high | 92 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -75.6 | -47.8 | 169.4 | 179.3 | 0 | 0 | 0 | 0 | 109.3 | G281 L284 L332 Y340 A343 V344 M347 | G281-V316 WeakPolarHBondContact CA-O 3.48Å; L284-V316 HydrophobicContact CD2-CG2 4.2Å; V316-L332 HydrophobicContact CG1-CB 4.24Å; V316-Y340 HydrophobicContact CB-CE2 4.1Å; V316-Y340 HydrophobicContact CG1-CD2 3.91Å; V316-Y340 HydrophobicContact CG1-CE2 3.95Å; V316-A343 HydrophobicContact CG1-CB 3.8Å; V316-A343 HydrophobicContact CG2-CB 3.81Å; V316-V344 HydrophobicContact CB-CG2 4.44Å; V316-V344 HydrophobicContact CG2-CG2 3.89Å; V316-M347 HydrophobicContact CG2-CE 4.26Å; V316-M347 HydrophobicContact CG2-SD 4.17Å |
| 317 | D | 97 | Very high | 90.2 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | trans | -141 | 169.7 | -178.1 | 64.1 | -21.4 | 0 | 0 | 0 | 111.6 | F315 N321 Q322 V331 T333 Y340 | F315-D317 WeakPolarHBondContact CB-O 3.45Å; F315-D317 WeakPolarHBondContact CD2-O 3.26Å; D317-N321 VanDerWaalsContact CA-OD1 3.29Å; D317-N321 WeakPolarHBondContact CA-OD1 3.45Å; D317-N321 WeakPolarHBondContact CB-OD1 3.49Å; D317-Q322 HydrophobicContact CB-CG 4.05Å; D317-Q322 VanDerWaalsContact OD2-CG 3.22Å; D317-Q322 WeakPolarHBondContact OD2-CG 3.5Å; D317-Q322 PolarHBondContact OD2-NE2 3.2Å; D317-V331 HydrophobicContact CB-CG2 4.43Å; D317-T333 HydrophobicContact CB-CG2 4.49Å; D317-Y340 WeakPolarHBondContact OD1-CE2 3.44Å; D317-Y340 PolarHBondContact OD1-OH 2.55Å | ||
| 318 | N | 96.1 | Very high | 88.3 | Confident | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.011 | 14% | 0.141 | C | C | . | . | trans | -143.9 | 178.2 | 174.3 | 74.4 | -1.7 | 0 | 0 | 0 | 109.5 | F315 D320 N321 Q322 R356 | F315-N318 HydrophobicContact CD2-CB 4.1Å; F315-N318 HydrophobicContact CE2-CB 3.95Å; N318-D320 VanDerWaalsContact C-N 3.27Å; N318-D320 PolarHBondContact O-N 3.37Å; N318-D320 PolarHBondContact OD1-N 3.37Å; N318-D320 VanDerWaalsContact OD1-N 3.15Å; N318-N321 PolarHBondContact N-OD1 2.58Å; N318-N321 PolarHBondContact O-OD1 3.48Å; N318-N321 WeakPolarHBondContact OD1-CB 3.32Å; N318-N321 PolarHBondContact OD1-N 2.65Å; N318-N321 PolarHBondContact OD1-ND2 2.87Å; N318-N321 PolarHBondContact OD1-OD1 3.28Å; N318-Q322 VanDerWaalsContact O-CB 3.3Å; N318-Q322 WeakPolarHBondContact O-CB 3.46Å; N318-Q322 WeakPolarHBondContact O-CG 3.31Å; N318-Q322 PolarHBondContact O-N 3.05Å; N318-Q322 VanDerWaalsContact O-N 3.1Å; N318-R356 VanDerWaalsContact CB-NH2 3.31Å | ||
| 319 | H | 93.7 | Very high | 86.9 | Confident | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -33 | -178.5 | 63.1 | -77.2 | 0 | 0 | 0 | 113.2 | H39 F41 W83 Y87 R323 M358 | H39-H319 AromaticContact CE1-CG 3.95Å; H39-H319 AromaticContact CE1-ND1 3.41Å; H39-H319 PolarHBondContact CE1-ND1 3.33Å; H39-H319 AromaticContact ND1-ND1 3.83Å; F41-H319 HydrophobicContact CD1-CB 3.92Å; F41-H319 HydrophobicContact CD2-CB 3.72Å; F41-H319 AromaticContact CD2-CG 3.97Å; F41-H319 HydrophobicContact CE1-CB 3.86Å; F41-H319 HydrophobicContact CE2-CB 3.64Å; F41-H319 AromaticContact CE2-CD2 3.6Å; F41-H319 AromaticContact CE2-CG 3.69Å; F41-H319 HydrophobicContact CG-CB 3.85Å; F41-H319 HydrophobicContact CZ-CB 3.72Å; F41-H319 AromaticContact CZ-CD2 3.9Å; W83-H319 AromaticContact CH2-CD2 3.95Å; W83-H319 AromaticContact CZ3-CD2 3.61Å; Y87-H319 AromaticContact CE1-NE2 3.84Å; Y87-H319 AromaticContact CZ-NE2 3.4Å; Y87-H319 PolarHBondContact OH-NE2 3.41Å; H319-R323 WeakPolarHBondContact O-CD 3.42Å; H319-R323 PolarHBondContact O-NH1 2.71Å; H319-M358 HydrophobicContact CB-CE 3.89Å |
| 320 | D | 91.6 | Very high | 86.3 | Confident | 20 Ų | 20 | 22.5 Ų | 22.5 | 11% | 0.107 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -55 | 177.2 | -56.7 | -67.2 | 0 | 0 | 0 | 113 | W83 N318 Q322 R323 G324 S325 | W83-D320 WeakPolarHBondContact CH2-OD1 3.38Å; N318-D320 VanDerWaalsContact C-N 3.27Å; N318-D320 PolarHBondContact O-N 3.37Å; N318-D320 PolarHBondContact OD1-N 3.37Å; N318-D320 VanDerWaalsContact OD1-N 3.15Å; D320-Q322 VanDerWaalsContact C-N 3.3Å; D320-Q322 PolarHBondContact O-N 2.94Å; D320-R323 CarbonylContact O-C 3.57Å; D320-R323 WeakPolarHBondContact O-CA 3.37Å; D320-R323 WeakPolarHBondContact O-CB 3.41Å; D320-R323 PolarHBondContact O-N 3.49Å; D320-G324 PolarHBondContact O-N 2.94Å; D320-S325 CarbonylContact C-O 3.5Å; D320-S325 PolarHBondContact O-N 3.08Å |
| 321 | N | 90.3 | Very high | 86.3 | Confident | 12 Ų | 12 | 18.4 Ų | 18.4 | 6% | 0.064 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -18.9 | -171 | 71.3 | 18.2 | 0 | 0 | 0 | 112.8 | D317 N318 R323 G324 S325 V331 | D317-N321 VanDerWaalsContact CA-OD1 3.29Å; D317-N321 WeakPolarHBondContact CA-OD1 3.45Å; D317-N321 WeakPolarHBondContact CB-OD1 3.49Å; N318-N321 PolarHBondContact N-OD1 2.58Å; N318-N321 PolarHBondContact O-OD1 3.48Å; N318-N321 WeakPolarHBondContact OD1-CB 3.32Å; N318-N321 PolarHBondContact OD1-N 2.65Å; N318-N321 PolarHBondContact OD1-ND2 2.87Å; N318-N321 PolarHBondContact OD1-OD1 3.28Å; N321-R323 PolarHBondContact O-N 2.82Å; N321-G324 PolarHBondContact O-N 3.4Å; N321-S325 WeakPolarHBondContact CA-O 3.49Å; N321-S325 PolarHBondContact N-O 3.37Å; N321-V331 HydrophobicContact CB-CG2 3.95Å |
| 322 | Q | 90.5 | Very high | 86.2 | Confident | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.009 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -34.1 | 164.5 | -81.6 | -171.1 | -24.7 | 0 | 0 | 111.5 | D317 N318 D320 T333 S360 F363 E417 | D317-Q322 HydrophobicContact CB-CG 4.05Å; D317-Q322 VanDerWaalsContact OD2-CG 3.22Å; D317-Q322 WeakPolarHBondContact OD2-CG 3.5Å; D317-Q322 PolarHBondContact OD2-NE2 3.2Å; N318-Q322 VanDerWaalsContact O-CB 3.3Å; N318-Q322 WeakPolarHBondContact O-CB 3.46Å; N318-Q322 WeakPolarHBondContact O-CG 3.31Å; N318-Q322 PolarHBondContact O-N 3.05Å; N318-Q322 VanDerWaalsContact O-N 3.1Å; D320-Q322 VanDerWaalsContact C-N 3.3Å; D320-Q322 PolarHBondContact O-N 2.94Å; Q322-T333 HydrophobicContact CB-CG2 4.3Å; Q322-T333 HydrophobicContact CG-CG2 3.88Å; Q322-S360 PolarHBondContact OE1-OG 3.17Å; Q322-F363 HydrophobicContact CB-CE1 4.47Å; Q322-F363 HydrophobicContact CB-CZ 4.1Å; Q322-F363 VanDerWaalsContact O-CZ 3.27Å; Q322-F363 WeakPolarHBondContact O-CZ 3.32Å; Q322-E417 PolarHBondContact NE2-OE1 3.47Å |
| 323 | R | 87.5 | Confident | 86.1 | Confident | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.015 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -27 | -177.8 | -64.8 | 168.6 | 178 | 61.6 | 11 | 110.9 | H319 D320 N321 Y361 F363 H366 D367 | H319-R323 WeakPolarHBondContact O-CD 3.42Å; H319-R323 PolarHBondContact O-NH1 2.71Å; D320-R323 CarbonylContact O-C 3.57Å; D320-R323 WeakPolarHBondContact O-CA 3.37Å; D320-R323 WeakPolarHBondContact O-CB 3.41Å; D320-R323 PolarHBondContact O-N 3.49Å; N321-R323 PolarHBondContact O-N 2.82Å; R323-Y361 PolarHBondContact NE-OH 3.49Å; R323-Y361 PolarHBondContact NH2-OH 2.89Å; R323-F363 HydrophobicContact CB-CE2 4.41Å; R323-F363 HydrophobicContact CG-CD2 4.34Å; R323-F363 HydrophobicContact CG-CE1 4.04Å; R323-F363 HydrophobicContact CG-CE2 3.76Å; R323-F363 HydrophobicContact CG-CZ 3.61Å; R323-H366 CarbonylContact O-C 3.59Å; R323-D367 WeakPolarHBondContact CB-OD1 3.36Å; R323-D367 WeakPolarHBondContact CB-OD2 3.4Å; R323-D367 VanDerWaalsContact O-CB 3.23Å; R323-D367 WeakPolarHBondContact O-CB 3.29Å; R323-D367 PolarHBondContact O-N 3.45Å |
| 324 | G | 78.5 | Confident | 85.9 | Confident | 34 Ų | 34 | 18.8 Ų | 18.8 | 35% | 0.351 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 118.5 | 4.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D320 N321 D367 | D320-G324 PolarHBondContact O-N 2.94Å; N321-G324 PolarHBondContact O-N 3.4Å; G324-D367 PolarHBondContact N-OD2 2.65Å; G324-D367 VanDerWaalsContact N-OD2 3.14Å |
| 325 | S | 73.2 | Confident | 85.7 | Confident | 44 Ų | 44 | 22.5 Ų | 22.5 | 31% | 0.308 | 17% | 0.165 | S | C | . | . | trans | -99.1 | -179 | 178 | -65.2 | 0 | 0 | 0 | 0 | 112.7 | D320 N321 G328 D367 | D320-S325 CarbonylContact C-O 3.5Å; D320-S325 PolarHBondContact O-N 3.08Å; N321-S325 WeakPolarHBondContact CA-O 3.49Å; N321-S325 PolarHBondContact N-O 3.37Å; S325-G328 WeakPolarHBondContact O-CA 3.34Å; S325-G328 PolarHBondContact O-N 3.44Å; S325-D367 VanDerWaalsContact CB-OD2 3.24Å; S325-D367 WeakPolarHBondContact CB-OD2 3.22Å; S325-D367 PolarHBondContact N-OD2 2.9Å; S325-D367 VanDerWaalsContact OG-CG 3.31Å; S325-D367 PolarHBondContact OG-OD2 3.22Å | ||
| 326 | G | 63.5 | Low | 85.5 | Confident | 21 Ų | 21 | 24.4 Ų | 24.4 | 22% | 0.216 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 69.3 | 44.4 | 168 | 0 | 0 | 0 | 0 | 0 | 115.2 | F278 | F278-G326 WeakPolarHBondContact CE1-O 3.3Š|
| 327 | G | 60.7 | Low | 85.4 | Confident | 35 Ų | 35 | 25.8 Ų | 25.8 | 36% | 0.361 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 77.5 | 10.8 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q259 | Q259-G327 PolarHBondContact NE2-O 3.42Š|
| 328 | G | 56.6 | Low | 85.3 | Confident | 32 Ų | 32 | 30.6 Ų | 30.6 | 33% | 0.33 | 22% | 0.215 | S | C | . | . | trans | -71 | 165.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | S325 | S325-G328 WeakPolarHBondContact O-CA 3.34Å; S325-G328 PolarHBondContact O-N 3.44Å | ||
| 329 | G | 66.5 | Low | 85.4 | Confident | 38 Ų | 38 | 34.9 Ų | 34.9 | 39% | 0.392 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 125.4 | 125 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | L282 V331 | L282-G329 WeakPolarHBondContact CD2-O 3.5Å; G329-V331 PolarHBondContact O-N 3.5Å |
| 330 | S | 83.4 | Confident | 85.6 | Confident | 98 Ų | 98 | 34.9 Ų | 34.9 | 69% | 0.685 | 23% | 0.231 | S | C | * | . | S | Bend | trans | 78.6 | 5.8 | 172.1 | -37.2 | 0 | 0 | 0 | 0 | 118.4 | S285 | S285-S330 WeakPolarHBondContact CB-O 3.21Š|
| 331 | V | 93.5 | Very high | 85.9 | Confident | 18 Ų | 18 | 34.7 Ų | 34.7 | 11% | 0.109 | 23% | 0.23 | C | C | . | . | trans | -76.5 | 150.3 | 165.4 | -62.8 | 0 | 0 | 0 | 0 | 111.1 | L282 S285 D317 N321 G329 T333 | L282-V331 HydrophobicContact CD2-CG1 3.77Å; L282-V331 HydrophobicContact CG-CG1 4.22Å; S285-V331 WeakPolarHBondContact OG-CA 3.46Å; D317-V331 HydrophobicContact CB-CG2 4.43Å; N321-V331 HydrophobicContact CB-CG2 3.95Å; G329-V331 PolarHBondContact O-N 3.5Å; V331-T333 HydrophobicContact CG2-CG2 4.35Å | ||
| 332 | L | 95.9 | Very high | 86.3 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | trans | -76.6 | 145.3 | 167.7 | -69.3 | 170.1 | 0 | 0 | 0 | 110.3 | S285 V288 V316 D336 R339 Y340 A343 | S285-L332 PolarHBondContact OG-N 3.23Å; V288-L332 HydrophobicContact CB-CD1 3.56Å; V288-L332 HydrophobicContact CG1-CD1 3.57Å; V288-L332 HydrophobicContact CG2-CD1 4.01Å; V316-L332 HydrophobicContact CG1-CB 4.24Å; L332-D336 WeakPolarHBondContact CA-OD2 3.42Å; L332-D336 HydrophobicContact CD2-CB 3.61Å; L332-D336 VanDerWaalsContact CD2-CG 3.48Å; L332-R339 HydrophobicContact CD1-CB 4.23Å; L332-R339 HydrophobicContact CD2-CB 4Å; L332-Y340 HydrophobicContact CB-CD2 4.35Å; L332-A343 HydrophobicContact CD1-CB 4.09Å | ||
| 333 | T | 95.3 | Very high | 86.7 | Confident | 12 Ų | 12 | 34.2 Ų | 34.2 | 7% | 0.074 | 23% | 0.227 | C | C | . | . | trans | -135.8 | 178.3 | -179.6 | 69.5 | 0 | 0 | 0 | 0 | 110.1 | D317 Q322 V331 K335 D336 Y340 | D317-T333 HydrophobicContact CB-CG2 4.49Å; Q322-T333 HydrophobicContact CB-CG2 4.3Å; Q322-T333 HydrophobicContact CG-CG2 3.88Å; V331-T333 HydrophobicContact CG2-CG2 4.35Å; T333-K335 PolarHBondContact O-N 2.91Å; T333-K335 WeakPolarHBondContact OG1-CB 3.18Å; T333-K335 PolarHBondContact OG1-N 3.16Å; T333-D336 PolarHBondContact N-OD2 3.35Å; T333-D336 WeakPolarHBondContact O-CB 3.23Å; T333-D336 PolarHBondContact O-N 3.36Å; T333-D336 PolarHBondContact OG1-OD2 3.08Å; T333-Y340 VanDerWaalsContact C-CG 3.46Å; T333-Y340 WeakPolarHBondContact O-CB 3.24Å; T333-Y340 VanDerWaalsContact O-CG 3.31Å | ||
| 334 | Y | 95.3 | Very high | 87.2 | Confident | 17 Ų | 17 | 34 Ų | 34 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -51.6 | -25.9 | 172.2 | 73.8 | -97.8 | 0 | 0 | 0 | 114.1 | D336 G337 Y361 Y362 F363 V415 E417 | Y334-D336 PolarHBondContact O-N 2.75Å; Y334-G337 PolarHBondContact O-N 3.1Å; Y334-Y361 PolarHBondContact OH-O 2.93Å; Y334-Y362 HydrophobicContact CD2-CE1 4.45Å; Y334-Y362 AromaticContact CE2-CD1 3.86Å; Y334-Y362 HydrophobicContact CE2-CD1 3.86Å; Y334-Y362 HydrophobicContact CE2-CE1 4.1Å; Y334-F363 AromaticContact CE1-CE1 3.82Å; Y334-F363 HydrophobicContact CE1-CE1 3.82Å; Y334-F363 HydrophobicContact CE1-CZ 4.38Å; Y334-F363 WeakPolarHBondContact OH-CD1 3.45Å; Y334-F363 WeakPolarHBondContact OH-CE1 3.27Å; Y334-F363 PolarHBondContact OH-N 2.94Å; Y334-V415 HydrophobicContact CD1-CG1 4.28Å; Y334-V415 HydrophobicContact CD1-CG2 4.19Å; Y334-V415 HydrophobicContact CD2-CG1 3.84Å; Y334-V415 HydrophobicContact CD2-CG2 3.83Å; Y334-V415 HydrophobicContact CE1-CG2 4.06Å; Y334-V415 HydrophobicContact CE2-CG2 3.71Å; Y334-V415 HydrophobicContact CG-CB 4.45Å; Y334-V415 HydrophobicContact CG-CG1 3.7Å; Y334-V415 HydrophobicContact CG-CG2 4.09Å; Y334-E417 WeakPolarHBondContact CD1-OE1 3.45Å |
| 335 | K | 93.1 | Very high | 88.2 | Confident | 78 Ų | 78 | 32.4 Ų | 32.4 | 34% | 0.339 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -66.4 | -14.6 | 177.3 | -61 | -179.7 | 172.9 | -178.7 | 0 | 113.1 | T333 F363 | T333-K335 PolarHBondContact O-N 2.91Å; T333-K335 WeakPolarHBondContact OG1-CB 3.18Å; T333-K335 PolarHBondContact OG1-N 3.16Å; K335-F363 WeakPolarHBondContact CE-O 3.28Å; K335-F363 PolarHBondContact NZ-O 3.01Å |
| 336 | D | 95.5 | Very high | 89.4 | Confident | 41 Ų | 41 | 30.3 Ų | 30.3 | 22% | 0.219 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -96.7 | -1.7 | -178.8 | -60.8 | -78.3 | 0 | 0 | 0 | 114.3 | L332 T333 Y334 D338 R339 | L332-D336 WeakPolarHBondContact CA-OD2 3.42Å; L332-D336 HydrophobicContact CD2-CB 3.61Å; L332-D336 VanDerWaalsContact CD2-CG 3.48Å; T333-D336 PolarHBondContact N-OD2 3.35Å; T333-D336 WeakPolarHBondContact O-CB 3.23Å; T333-D336 PolarHBondContact O-N 3.36Å; T333-D336 PolarHBondContact OG1-OD2 3.08Å; Y334-D336 PolarHBondContact O-N 2.75Å; D336-D338 PolarHBondContact O-N 2.78Å; D336-R339 HydrophobicContact CB-CB 4.24Å; D336-R339 PolarHBondContact O-N 3.26Å; D336-R339 IonicContact OD1-CZ 2.63Å; D336-R339 IonicContact OD1-NH1 2.79Å; D336-R339 IonicContact OD1-NH2 2.66Å; D336-R339 PolarHBondContact OD1-NH2 3.39Å |
| 337 | G | 95.2 | Very high | 91.1 | Very high | 30 Ų | 30 | 29.4 Ų | 29.4 | 31% | 0.309 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | -126.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y334 R339 Y340 F341 | Y334-G337 PolarHBondContact O-N 3.1Å; G337-R339 PolarHBondContact O-N 3.28Å; G337-R339 VanDerWaalsContact O-N 3.08Å; G337-Y340 WeakPolarHBondContact O-CB 3.27Å; G337-Y340 PolarHBondContact O-N 3.42Å; G337-F341 PolarHBondContact O-N 2.96Å |
| 338 | D | 95.2 | Very high | 92.9 | Very high | 102 Ų | 102 | 27.7 Ų | 27.7 | 55% | 0.545 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -53.3 | -30.6 | -178.9 | -85.8 | 14.3 | 0 | 0 | 0 | 113.4 | D336 M342 K515 | D336-D338 PolarHBondContact O-N 2.78Å; D338-M342 PolarHBondContact O-N 2.89Å; D338-K515 IonicContact OD2-NZ 2.73Å; D338-K515 PolarHBondContact OD2-NZ 3.09Å |
| 339 | R | 97.7 | Very high | 94.9 | Very high | 92 Ų | 92 | 26.2 Ų | 26.2 | 35% | 0.347 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -67.3 | -45.1 | 176.6 | -73 | -174.8 | -66.8 | 145.8 | 4.2 | 111.4 | V288 N289 L332 D336 G337 M342 A343 | V288-R339 HydrophobicContact CG1-CB 3.73Å; V288-R339 HydrophobicContact CG1-CG 3.97Å; N289-R339 PolarHBondContact OD1-NH1 2.99Å; L332-R339 HydrophobicContact CD1-CB 4.23Å; L332-R339 HydrophobicContact CD2-CB 4Å; D336-R339 HydrophobicContact CB-CB 4.24Å; D336-R339 PolarHBondContact O-N 3.26Å; D336-R339 IonicContact OD1-CZ 2.63Å; D336-R339 IonicContact OD1-NH1 2.79Å; D336-R339 IonicContact OD1-NH2 2.66Å; D336-R339 PolarHBondContact OD1-NH2 3.39Å; G337-R339 PolarHBondContact O-N 3.28Å; G337-R339 VanDerWaalsContact O-N 3.08Å; R339-M342 WeakPolarHBondContact O-CB 3.18Å; R339-M342 PolarHBondContact O-N 2.95Å; R339-A343 PolarHBondContact O-N 2.93Å |
| 340 | Y | 98.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.6 | -43.3 | 175.3 | 169 | -106.4 | 0 | 0 | 0 | 111.4 | V316 D317 L332 T333 G337 M342 A343 V344 E417 W420 I423 | V316-Y340 HydrophobicContact CB-CE2 4.1Å; V316-Y340 HydrophobicContact CG1-CD2 3.91Å; V316-Y340 HydrophobicContact CG1-CE2 3.95Å; D317-Y340 WeakPolarHBondContact OD1-CE2 3.44Å; D317-Y340 PolarHBondContact OD1-OH 2.55Å; L332-Y340 HydrophobicContact CB-CD2 4.35Å; T333-Y340 VanDerWaalsContact C-CG 3.46Å; T333-Y340 WeakPolarHBondContact O-CB 3.24Å; T333-Y340 VanDerWaalsContact O-CG 3.31Å; G337-Y340 WeakPolarHBondContact O-CB 3.27Å; G337-Y340 PolarHBondContact O-N 3.42Å; Y340-M342 VanDerWaalsContact C-N 3.28Å; Y340-M342 PolarHBondContact O-N 2.86Å; Y340-A343 WeakPolarHBondContact O-CB 3.22Å; Y340-A343 PolarHBondContact O-N 2.74Å; Y340-A343 VanDerWaalsContact O-N 3.14Å; Y340-V344 HydrophobicContact CD1-CG2 4.32Å; Y340-V344 HydrophobicContact CD2-CG2 4.12Å; Y340-V344 HydrophobicContact CE1-CG2 3.85Å; Y340-V344 HydrophobicContact CE2-CG2 3.61Å; Y340-V344 HydrophobicContact CG-CG2 4.45Å; Y340-V344 VanDerWaalsContact CZ-CG2 3.47Å; Y340-V344 WeakPolarHBondContact O-CG2 3.3Å; Y340-V344 PolarHBondContact O-N 3.14Å; Y340-E417 HydrophobicContact CE1-CB 4.12Å; Y340-E417 HydrophobicContact CE1-CG 3.94Å; Y340-W420 HydrophobicContact CD1-CH2 4.24Å; Y340-W420 AromaticContact CD1-CZ3 3.83Å; Y340-W420 HydrophobicContact CD1-CZ3 3.83Å; Y340-W420 HydrophobicContact CE1-CZ3 4.32Å; Y340-I423 HydrophobicContact CE1-CD1 3.98Å |
| 341 | F | 98.1 | Very high | 97.1 | Very high | 16 Ų | 16 | 22.8 Ų | 22.8 | 7% | 0.07 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -55.6 | -43.5 | 172.8 | 166.3 | -110.9 | 0 | 0 | 0 | 111.9 | G337 A343 V344 A345 T422 I423 M426 V485 V516 | G337-F341 PolarHBondContact O-N 2.96Å; F341-A343 VanDerWaalsContact C-N 3.32Å; F341-A343 PolarHBondContact O-N 2.72Å; F341-V344 PolarHBondContact O-N 3.44Å; F341-A345 HydrophobicContact CD2-CB 4.37Å; F341-A345 HydrophobicContact CE1-CB 4.39Å; F341-A345 HydrophobicContact CE2-CB 3.76Å; F341-A345 HydrophobicContact CZ-CB 3.77Å; F341-A345 VanDerWaalsContact O-CB 3.25Å; F341-A345 WeakPolarHBondContact O-CB 3.44Å; F341-A345 PolarHBondContact O-N 3.39Å; F341-T422 VanDerWaalsContact CD2-OG1 3.24Å; F341-T422 WeakPolarHBondContact CD2-OG1 3.38Å; F341-T422 HydrophobicContact CE1-CG2 4.46Å; F341-T422 HydrophobicContact CE2-CG2 4.42Å; F341-T422 HydrophobicContact CZ-CG2 4.31Å; F341-I423 HydrophobicContact CD2-CG1 4Å; F341-M426 HydrophobicContact CE2-CG 3.91Å; F341-M426 HydrophobicContact CZ-CG 4.23Å; F341-V485 HydrophobicContact CE1-CG1 3.72Å; F341-V485 HydrophobicContact CZ-CG1 3.65Å; F341-V485 HydrophobicContact CZ-CG2 4.17Å; F341-V516 HydrophobicContact CE1-CB 4.27Å |
| 342 | M | 98.5 | Very high | 97.3 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.02 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.9 | -42.7 | 178.1 | -177.6 | -177.7 | -65.4 | 0 | 0 | 112.4 | V288 F294 D338 R339 Y340 F346 L460 N462 R514 V516 | V288-M342 HydrophobicContact CG1-SD 4.28Å; V288-M342 HydrophobicContact CG2-CB 4.42Å; V288-M342 HydrophobicContact CG2-CG 4.18Å; V288-M342 HydrophobicContact CG2-SD 4.11Å; F294-M342 HydrophobicContact CE2-SD 4.42Å; D338-M342 PolarHBondContact O-N 2.89Å; R339-M342 WeakPolarHBondContact O-CB 3.18Å; R339-M342 PolarHBondContact O-N 2.95Å; Y340-M342 VanDerWaalsContact C-N 3.28Å; Y340-M342 PolarHBondContact O-N 2.86Å; M342-F346 PolarHBondContact O-N 3.37Å; M342-L460 HydrophobicContact CG-CD1 3.48Å; M342-L460 VanDerWaalsContact CG-CD1 3.48Å; M342-L460 HydrophobicContact CG-CD2 4.49Å; M342-L460 HydrophobicContact CG-CG 3.9Å; M342-L460 HydrophobicContact SD-CD1 4.06Å; M342-L460 HydrophobicContact SD-CD2 4.01Å; M342-L460 HydrophobicContact SD-CG 4Å; M342-N462 HydrophobicContact CE-CB 4.37Å; M342-N462 HydrophobicContact SD-CB 3.77Å; M342-N462 PolarHBondContact SD-OD1 3.39Å; M342-R514 HydrophobicContact CE-CB 4.26Å; M342-V516 HydrophobicContact CB-CG2 4.32Å; M342-V516 HydrophobicContact CG-CG2 3.9Å |
| 343 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.8 | -50 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L284 V288 V316 L332 R339 Y340 F341 A345 F346 M347 | L284-A343 HydrophobicContact CD2-CB 4.15Å; L284-A343 VanDerWaalsContact CD2-O 3.29Å; L284-A343 WeakPolarHBondContact CD2-O 3.38Å; L284-A343 HydrophobicContact CG-CB 3.9Å; V288-A343 HydrophobicContact CG2-CB 4.18Å; V316-A343 HydrophobicContact CG1-CB 3.8Å; V316-A343 HydrophobicContact CG2-CB 3.81Å; L332-A343 HydrophobicContact CD1-CB 4.09Å; R339-A343 PolarHBondContact O-N 2.93Å; Y340-A343 WeakPolarHBondContact O-CB 3.22Å; Y340-A343 PolarHBondContact O-N 2.74Å; Y340-A343 VanDerWaalsContact O-N 3.14Å; F341-A343 VanDerWaalsContact C-N 3.32Å; F341-A343 PolarHBondContact O-N 2.72Å; A343-A345 VanDerWaalsContact C-N 3.32Å; A343-A345 PolarHBondContact O-N 2.94Å; A343-F346 PolarHBondContact O-N 3.1Å; A343-M347 PolarHBondContact O-N 2.78Å |
| 344 | V | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.8 | -41 | 178.8 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | V316 Y340 F341 M347 L348 I357 I423 | V316-V344 HydrophobicContact CB-CG2 4.44Å; V316-V344 HydrophobicContact CG2-CG2 3.89Å; Y340-V344 HydrophobicContact CD1-CG2 4.32Å; Y340-V344 HydrophobicContact CD2-CG2 4.12Å; Y340-V344 HydrophobicContact CE1-CG2 3.85Å; Y340-V344 HydrophobicContact CE2-CG2 3.61Å; Y340-V344 HydrophobicContact CG-CG2 4.45Å; Y340-V344 VanDerWaalsContact CZ-CG2 3.47Å; Y340-V344 WeakPolarHBondContact O-CG2 3.3Å; Y340-V344 PolarHBondContact O-N 3.14Å; F341-V344 PolarHBondContact O-N 3.44Å; V344-M347 HydrophobicContact CG1-CE 4.48Å; V344-M347 PolarHBondContact O-N 3.16Å; V344-L348 HydrophobicContact CG1-CD1 3.8Å; V344-L348 HydrophobicContact CG1-CG 4.3Å; V344-L348 WeakPolarHBondContact O-CB 3.4Å; V344-L348 WeakPolarHBondContact O-CG 3.29Å; V344-L348 PolarHBondContact O-N 2.9Å; V344-I357 HydrophobicContact CG1-CG2 3.96Å; V344-I423 HydrophobicContact CB-CD1 4.47Å; V344-I423 HydrophobicContact CG1-CD1 4.14Å; V344-I423 HydrophobicContact CG1-CG1 3.99Å; V344-I423 HydrophobicContact CG1-CG2 4.2Å; V344-I423 HydrophobicContact CG2-CD1 4.47Å |
| 345 | A | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.7 | -43.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F341 A343 L348 A349 M426 F458 V516 | F341-A345 HydrophobicContact CD2-CB 4.37Å; F341-A345 HydrophobicContact CE1-CB 4.39Å; F341-A345 HydrophobicContact CE2-CB 3.76Å; F341-A345 HydrophobicContact CZ-CB 3.77Å; F341-A345 VanDerWaalsContact O-CB 3.25Å; F341-A345 WeakPolarHBondContact O-CB 3.44Å; F341-A345 PolarHBondContact O-N 3.39Å; A343-A345 VanDerWaalsContact C-N 3.32Å; A343-A345 PolarHBondContact O-N 2.94Å; A345-L348 PolarHBondContact O-N 3.3Å; A345-A349 VanDerWaalsContact O-CB 3.31Å; A345-A349 WeakPolarHBondContact O-CB 3.35Å; A345-A349 PolarHBondContact O-N 2.7Å; A345-M426 HydrophobicContact CB-CE 4.3Å; A345-M426 HydrophobicContact CB-CG 3.97Å; A345-M426 HydrophobicContact CB-SD 4.4Å; A345-M426 WeakPolarHBondContact O-CE 3.4Å; A345-F458 HydrophobicContact CB-CE2 4.17Å; A345-F458 HydrophobicContact CB-CZ 4.44Å; A345-V516 HydrophobicContact CB-CG1 4.05Å |
| 346 | F | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.8 | -45.7 | 173.9 | -176.5 | -87.8 | 0 | 0 | 0 | 111.2 | L284 F294 Y297 F300 M342 A343 L348 A349 W350 I448 F450 F458 L460 | L284-F346 HydrophobicContact CD1-CB 4.14Å; L284-F346 HydrophobicContact CD1-CD1 3.56Å; L284-F346 HydrophobicContact CD1-CE1 4.27Å; L284-F346 HydrophobicContact CD1-CG 3.98Å; L284-F346 HydrophobicContact CD2-CD1 4.14Å; F294-F346 HydrophobicContact CD1-CD2 4.44Å; F294-F346 HydrophobicContact CD1-CE2 4.41Å; F294-F346 HydrophobicContact CE1-CD2 4.02Å; F294-F346 HydrophobicContact CE1-CE2 4.35Å; F294-F346 HydrophobicContact CE1-CG 4.25Å; Y297-F346 HydrophobicContact CD1-CE1 4.1Å; Y297-F346 HydrophobicContact CD1-CZ 4.04Å; F300-F346 AromaticContact CD1-CE1 3.67Å; F300-F346 HydrophobicContact CD1-CE1 3.67Å; F300-F346 HydrophobicContact CD1-CZ 4.48Å; F300-F346 HydrophobicContact CE1-CE1 4.19Å; F300-F346 HydrophobicContact CG-CE1 4.35Å; M342-F346 PolarHBondContact O-N 3.37Å; A343-F346 PolarHBondContact O-N 3.1Å; F346-L348 VanDerWaalsContact C-N 3.31Å; F346-L348 PolarHBondContact O-N 3.06Å; F346-A349 PolarHBondContact O-N 3.2Å; F346-A349 VanDerWaalsContact O-N 3.16Å; F346-W350 HydrophobicContact CD1-CB 4.31Å; F346-W350 HydrophobicContact CE1-CB 3.95Å; F346-W350 HydrophobicContact CE1-CD2 4.35Å; F346-W350 AromaticContact CE1-CG 3.99Å; F346-W350 HydrophobicContact CE1-CG 3.99Å; F346-W350 HydrophobicContact CE2-CE3 4.45Å; F346-W350 HydrophobicContact CZ-CB 4.27Å; F346-W350 HydrophobicContact CZ-CD2 4.01Å; F346-W350 HydrophobicContact CZ-CE3 4.01Å; F346-W350 HydrophobicContact CZ-CG 4.12Å; F346-W350 VanDerWaalsContact O-CB 3.26Å; F346-W350 WeakPolarHBondContact O-CB 3.44Å; F346-W350 PolarHBondContact O-N 3.11Å; F346-I448 HydrophobicContact CD2-CG2 4.33Å; F346-I448 HydrophobicContact CE2-CD1 4.29Å; F346-I448 HydrophobicContact CE2-CG2 3.98Å; F346-F450 HydrophobicContact CE2-CE1 4.21Å; F346-F458 HydrophobicContact CB-CZ 4.38Å; F346-F458 HydrophobicContact CD2-CE1 4.07Å; F346-L460 HydrophobicContact CB-CD1 4.1Å; F346-L460 HydrophobicContact CD2-CD1 4.16Å |
| 347 | M | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.5 | -40.7 | 177.8 | 178.8 | -179.5 | 70.5 | 0 | 0 | 112.7 | Y280 L284 V314 F315 V316 A343 V344 P355 I357 | Y280-M347 HydrophobicContact CE1-CB 4.03Å; Y280-M347 HydrophobicContact CE1-CG 3.72Å; Y280-M347 HydrophobicContact CE1-SD 4.02Å; Y280-M347 WeakPolarHBondContact OH-CA 3.49Å; L284-M347 HydrophobicContact CD2-CB 4.12Å; V314-M347 HydrophobicContact CG2-CG 4.2Å; V314-M347 HydrophobicContact CG2-SD 4.27Å; F315-M347 VanDerWaalsContact CA-SD 3.54Å; V316-M347 HydrophobicContact CG2-CE 4.26Å; V316-M347 HydrophobicContact CG2-SD 4.17Å; A343-M347 PolarHBondContact O-N 2.78Å; V344-M347 HydrophobicContact CG1-CE 4.48Å; V344-M347 PolarHBondContact O-N 3.16Å; M347-P355 HydrophobicContact CE-CB 4.03Å; M347-P355 HydrophobicContact CG-CB 3.85Å; M347-P355 HydrophobicContact SD-CB 4.04Å; M347-I357 HydrophobicContact CE-CG2 3.82Å |
| 348 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -75.3 | -27.2 | 178.7 | -68.9 | 173.8 | 0 | 0 | 0 | 112.9 | V36 V344 A345 F346 P355 M426 T427 R430 | V36-L348 HydrophobicContact CG1-CD2 4.03Å; V36-L348 HydrophobicContact CG2-CD2 3.75Å; V344-L348 HydrophobicContact CG1-CD1 3.8Å; V344-L348 HydrophobicContact CG1-CG 4.3Å; V344-L348 WeakPolarHBondContact O-CB 3.4Å; V344-L348 WeakPolarHBondContact O-CG 3.29Å; V344-L348 PolarHBondContact O-N 2.9Å; A345-L348 PolarHBondContact O-N 3.3Å; F346-L348 VanDerWaalsContact C-N 3.31Å; F346-L348 PolarHBondContact O-N 3.06Å; L348-P355 HydrophobicContact CD2-CB 4.19Å; L348-P355 HydrophobicContact CD2-CG 4.04Å; L348-M426 HydrophobicContact CB-CB 4.23Å; L348-M426 HydrophobicContact CB-CE 4.48Å; L348-M426 HydrophobicContact CD1-CB 3.57Å; L348-T427 HydrophobicContact CD1-CG2 4.19Å; L348-R430 HydrophobicContact CB-CB 4.36Å; L348-R430 HydrophobicContact CD2-CG 4.4Å; L348-R430 WeakPolarHBondContact O-CB 3.42Å; L348-R430 WeakPolarHBondContact O-CG 3.36Å |
| 349 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -84.6 | -25.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A345 F346 M426 F429 F450 R452 F458 | A345-A349 VanDerWaalsContact O-CB 3.31Å; A345-A349 WeakPolarHBondContact O-CB 3.35Å; A345-A349 PolarHBondContact O-N 2.7Å; F346-A349 PolarHBondContact O-N 3.2Å; F346-A349 VanDerWaalsContact O-N 3.16Å; A349-M426 HydrophobicContact CB-CE 4.09Å; A349-F429 HydrophobicContact CB-CD1 4.31Å; A349-F429 HydrophobicContact CB-CE1 3.78Å; A349-F450 HydrophobicContact CB-CE2 4.33Å; A349-F450 HydrophobicContact CB-CZ 3.97Å; A349-F450 WeakPolarHBondContact O-CE2 3.44Å; A349-R452 WeakPolarHBondContact O-CD 3.22Å; A349-R452 PolarHBondContact O-NH1 3.28Å; A349-F458 HydrophobicContact CB-CB 3.97Å; A349-F458 HydrophobicContact CB-CD1 4Å; A349-F458 HydrophobicContact CB-CD2 3.29Å; A349-F458 HydrophobicContact CB-CE1 4.3Å; A349-F458 HydrophobicContact CB-CE2 3.63Å; A349-F458 HydrophobicContact CB-CG 3.48Å; A349-F458 VanDerWaalsContact CB-CG 3.48Å; A349-F458 HydrophobicContact CB-CZ 4.12Å |
| 350 | W | 98.5 | Very high | 98.4 | Very high | 14 Ų | 14 | 5.9 Ų | 5.9 | 5% | 0.053 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -90.3 | 129.8 | -175.4 | -168.6 | -102.5 | 0 | 0 | 0 | 112 | G298 F300 F346 Y352 V438 M441 F450 | G298-W350 WeakPolarHBondContact O-CH2 3.06Å; F300-W350 HydrophobicContact CB-CZ2 4.41Å; F300-W350 PolarHBondContact O-NE1 3.06Å; F346-W350 HydrophobicContact CD1-CB 4.31Å; F346-W350 HydrophobicContact CE1-CB 3.95Å; F346-W350 HydrophobicContact CE1-CD2 4.35Å; F346-W350 AromaticContact CE1-CG 3.99Å; F346-W350 HydrophobicContact CE1-CG 3.99Å; F346-W350 HydrophobicContact CE2-CE3 4.45Å; F346-W350 HydrophobicContact CZ-CB 4.27Å; F346-W350 HydrophobicContact CZ-CD2 4.01Å; F346-W350 HydrophobicContact CZ-CE3 4.01Å; F346-W350 HydrophobicContact CZ-CG 4.12Å; F346-W350 VanDerWaalsContact O-CB 3.26Å; F346-W350 WeakPolarHBondContact O-CB 3.44Å; F346-W350 PolarHBondContact O-N 3.11Å; W350-Y352 PolarHBondContact O-N 2.96Å; W350-V438 HydrophobicContact CE3-CG2 4.1Å; W350-V438 HydrophobicContact CH2-CG1 4.27Å; W350-V438 HydrophobicContact CH2-CG2 4.02Å; W350-V438 HydrophobicContact CZ3-CG1 4.01Å; W350-V438 HydrophobicContact CZ3-CG2 3.75Å; W350-M441 HydrophobicContact CH2-SD 4.41Å; W350-F450 HydrophobicContact CE3-CD1 4.23Å; W350-F450 AromaticContact CE3-CE1 3.72Å; W350-F450 HydrophobicContact CE3-CE1 3.72Å; W350-F450 HydrophobicContact CE3-CE2 4.23Å; W350-F450 AromaticContact CE3-CZ 3.72Å; W350-F450 HydrophobicContact CE3-CZ 3.72Å; W350-F450 HydrophobicContact CZ3-CD1 4.06Å; W350-F450 HydrophobicContact CZ3-CE1 4.01Å; W350-F450 HydrophobicContact CZ3-CG 4.44Å; W350-F450 HydrophobicContact CZ3-CZ 4.34Å |
| 351 | P | 97.3 | Very high | 98.3 | Very high | 50 Ų | 50 | 5.9 Ų | 5.9 | 33% | 0.325 | 3% | 0.034 | S | C | . | . | trans | -82.9 | 76.7 | -178.8 | 31 | -30 | 0 | 0 | 0 | 111.7 | V438 | P351-V438 HydrophobicContact CG-CG2 3.56Š| ||
| 352 | Y | 97.8 | Very high | 98.1 | Very high | 10 Ų | 10 | 9 Ų | 9 | 4% | 0.039 | 5% | 0.046 | C | C | . | . | S | Bend | trans | -145.3 | 122.6 | 171.7 | -179.7 | -102.6 | 0 | 0 | 0 | 111.2 | Y280 E302 Y306 W307 D309 V312 V314 W350 | Y280-Y352 AromaticContact CD2-CD1 3.82Å; Y280-Y352 HydrophobicContact CD2-CD1 3.82Å; Y280-Y352 HydrophobicContact CD2-CE1 4Å; Y280-Y352 AromaticContact CE2-CD1 3.68Å; Y280-Y352 HydrophobicContact CE2-CD1 3.68Å; Y280-Y352 HydrophobicContact CE2-CE1 4.33Å; E302-Y352 HydrophobicContact CG-CE2 4.26Å; Y306-Y352 WeakPolarHBondContact CB-OH 3.39Å; Y306-Y352 AromaticContact CD2-CE1 3.86Å; Y306-Y352 HydrophobicContact CD2-CE1 3.86Å; W307-Y352 PolarHBondContact O-OH 2.93Å; D309-Y352 HydrophobicContact CB-CD2 4.22Å; D309-Y352 HydrophobicContact CB-CE2 4.43Å; D309-Y352 WeakPolarHBondContact OD1-CA 2.74Å; V312-Y352 HydrophobicContact CG2-CD1 4.42Å; V312-Y352 HydrophobicContact CG2-CE1 3.73Å; V312-Y352 HydrophobicContact CG2-CE2 4.17Å; V314-Y352 HydrophobicContact CG1-CD1 3.85Å; V314-Y352 HydrophobicContact CG1-CE1 3.79Å; V314-Y352 WeakPolarHBondContact CG2-O 3.29Å; W350-Y352 PolarHBondContact O-N 2.96Å |
| 353 | G | 97.7 | Very high | 97.7 | Very high | 10 Ų | 10 | 9.3 Ų | 9.3 | 10% | 0.103 | 5% | 0.047 | C | C | . | . | S | Bend | trans | 66.4 | -178.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | D309 V312 P355 | D309-G353 PolarHBondContact OD1-N 2.82Å; V312-G353 WeakPolarHBondContact O-CA 3.02Å; G353-P355 WeakPolarHBondContact O-CD 3.4Å |
| 354 | I | 98.3 | Very high | 96.8 | Very high | 11 Ų | 11 | 16 Ų | 16 | 6% | 0.056 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 115 | 168.4 | -66.1 | 170.2 | 0 | 0 | 0 | 108.2 | L28 V37 F251 R274 V312 L313 V314 | L28-I354 HydrophobicContact CB-CD1 3.98Å; L28-I354 HydrophobicContact CD1-CD1 4.34Å; L28-I354 HydrophobicContact CD2-CD1 4.11Å; L28-I354 HydrophobicContact CD2-CG1 4.42Å; L28-I354 HydrophobicContact CD2-CG2 3.82Å; L28-I354 HydrophobicContact CG-CD1 4.38Å; V37-I354 HydrophobicContact CG2-CG2 3.58Å; F251-I354 HydrophobicContact CE2-CD1 3.7Å; F251-I354 HydrophobicContact CZ-CD1 3.76Å; R274-I354 VanDerWaalsContact NE-CD1 3.33Å; V312-I354 PolarHBondContact O-N 3.36Å; V312-I354 VanDerWaalsContact O-N 3.1Å; L313-I354 CarbonylContact C-O 3.45Å; L313-I354 WeakPolarHBondContact CA-O 3.39Å; L313-I354 HydrophobicContact CD1-CG2 4.46Å; L313-I354 HydrophobicContact CG-CB 4.45Å; L313-I354 HydrophobicContact CG-CG2 4.43Å; L313-I354 WeakPolarHBondContact CG-O 3.21Å; V314-I354 PolarHBondContact N-O 2.9Å |
| 355 | P | 98.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 132.7 | 176.7 | 33.8 | -35.2 | 0 | 0 | 0 | 110.7 | V36 V37 V314 M347 L348 G353 R430 | V36-P355 HydrophobicContact CG2-CG 4.27Å; V37-P355 PolarHBondContact N-O 3.45Å; V314-P355 HydrophobicContact CG2-CB 4.29Å; V314-P355 CarbonylContact O-C 3.49Å; V314-P355 WeakPolarHBondContact O-CA 3.35Å; M347-P355 HydrophobicContact CE-CB 4.03Å; M347-P355 HydrophobicContact CG-CB 3.85Å; M347-P355 HydrophobicContact SD-CB 4.04Å; L348-P355 HydrophobicContact CD2-CB 4.19Å; L348-P355 HydrophobicContact CD2-CG 4.04Å; G353-P355 WeakPolarHBondContact O-CD 3.4Å; P355-R430 VanDerWaalsContact CD-CZ 3.44Å; P355-R430 VanDerWaalsContact CD-NH1 3.29Å |
| 356 | R | 98.8 | Very high | 93.1 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 1% | 0.011 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 128 | 168.2 | -172.6 | -172 | 69.4 | -164.9 | -9.1 | 109.9 | V37 H39 L313 V314 F315 N318 | V37-R356 HydrophobicContact CB-CB 4.17Å; V37-R356 HydrophobicContact CB-CG 4.05Å; V37-R356 HydrophobicContact CG1-CG 4.02Å; V37-R356 CarbonylContact O-C 3.56Å; V37-R356 VanDerWaalsContact O-CA 3.22Å; V37-R356 WeakPolarHBondContact O-CA 3.37Å; H39-R356 HydrophobicContact CB-CG 4.37Å; L313-R356 HydrophobicContact CD1-CB 4.48Å; L313-R356 HydrophobicContact CD2-CB 3.73Å; L313-R356 HydrophobicContact CG-CB 4.32Å; V314-R356 PolarHBondContact O-N 3.3Å; F315-R356 WeakPolarHBondContact CB-O 3.28Å; F315-R356 VanDerWaalsContact CD1-NH2 3.28Å; N318-R356 VanDerWaalsContact CB-NH2 3.31Å |
| 357 | I | 98.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 147.9 | 171.7 | 61 | 175.2 | 0 | 0 | 0 | 110.2 | V36 V37 V38 H39 I61 V344 M347 H418 I423 T427 | V36-I357 HydrophobicContact CG1-CD1 4.41Å; V36-I357 HydrophobicContact CG1-CG1 4.35Å; V37-I357 PolarHBondContact O-N 3.33Å; V38-I357 WeakPolarHBondContact CA-O 3.14Å; V38-I357 HydrophobicContact CB-CD1 4.46Å; V38-I357 HydrophobicContact CB-CG1 4.02Å; V38-I357 HydrophobicContact CG2-CD1 4.46Å; V38-I357 HydrophobicContact CG2-CG1 4.07Å; H39-I357 PolarHBondContact N-O 3.39Å; I61-I357 HydrophobicContact CD1-CD1 4.02Å; V344-I357 HydrophobicContact CG1-CG2 3.96Å; M347-I357 HydrophobicContact CE-CG2 3.82Å; I357-H418 HydrophobicContact CD1-CB 3.62Å; I357-H418 HydrophobicContact CG1-CB 4.38Å; I357-I423 HydrophobicContact CD1-CG2 3.95Å; I357-T427 HydrophobicContact CD1-CG2 4.36Å |
| 358 | M | 98.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 151 | 174.8 | -82.2 | -62.7 | -64 | 0 | 0 | 111.9 | H39 F41 H319 E417 | H39-M358 HydrophobicContact CB-SD 3.87Å; F41-M358 HydrophobicContact CB-CE 4.01Å; F41-M358 HydrophobicContact CG-CE 4.45Å; H319-M358 HydrophobicContact CB-CE 3.89Å; M358-E417 WeakPolarHBondContact O-CB 3.27Å |
| 359 | S | 98.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 105.3 | 157.5 | 176.3 | 0 | 0 | 0 | 0 | 107.1 | H39 F41 W43 E417 H418 | H39-S359 WeakPolarHBondContact O-CB 3.25Å; H39-S359 PolarHBondContact O-N 3.1Å; F41-S359 PolarHBondContact N-O 3.23Å; W43-S359 WeakPolarHBondContact CZ2-OG 3.23Å; W43-S359 PolarHBondContact NE1-OG 3.27Å; S359-E417 WeakPolarHBondContact CA-OE2 3.34Å; S359-H418 VanDerWaalsContact CB-ND1 3.28Å; S359-H418 WeakPolarHBondContact CB-ND1 3.34Å; S359-H418 PolarHBondContact OG-CE1 3.01Å; S359-H418 PolarHBondContact OG-ND1 3.03Å; S359-H418 VanDerWaalsContact OG-ND1 3.12Å |
| 360 | S | 96.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -110.6 | -176.3 | -170.6 | -154.9 | 0 | 0 | 0 | 0 | 111.8 | Q322 V415 E417 | Q322-S360 PolarHBondContact OE1-OG 3.17Å; S360-V415 WeakPolarHBondContact O-CB 3.35Å; S360-V415 PolarHBondContact O-N 2.87Å; S360-E417 WeakPolarHBondContact CB-OE1 3.48Å; S360-E417 PolarHBondContact N-OE2 3.22Å | ||
| 361 | Y | 96.7 | Very high | 78.9 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | B | Isolated β-bridge | trans | -124.4 | 159.4 | 171.1 | 59.4 | -97.4 | 0 | 0 | 0 | 110.4 | F41 E42 W83 R323 Y334 F363 Q385 G386 P387 G413 W414 | F41-Y361 HydrophobicContact CD1-CD1 4.36Å; F41-Y361 AromaticContact CD1-CE1 3.83Å; F41-Y361 HydrophobicContact CD1-CE1 3.83Å; F41-Y361 AromaticContact CE1-CE1 3.7Å; F41-Y361 HydrophobicContact CE1-CE1 3.7Å; E42-Y361 HydrophobicContact CB-CE1 4.26Å; E42-Y361 HydrophobicContact CG-CE1 3.96Å; W83-Y361 VanDerWaalsContact CB-OH 3.23Å; W83-Y361 WeakPolarHBondContact CB-OH 3.33Å; R323-Y361 PolarHBondContact NE-OH 3.49Å; R323-Y361 PolarHBondContact NH2-OH 2.89Å; Y334-Y361 PolarHBondContact OH-O 2.93Å; Y361-F363 HydrophobicContact CD2-CD1 4.44Å; Y361-F363 HydrophobicContact CE2-CB 4.24Å; Y361-F363 HydrophobicContact CE2-CD1 4.29Å; Y361-F363 VanDerWaalsContact O-CD1 3.23Å; Y361-F363 WeakPolarHBondContact O-CD1 3.25Å; Y361-F363 PolarHBondContact O-N 2.79Å; Y361-Q385 PolarHBondContact OH-O 3.03Å; Y361-Q385 VanDerWaalsContact OH-O 3.1Å; Y361-G386 VanDerWaalsContact CE2-O 3.23Å; Y361-G386 WeakPolarHBondContact CE2-O 3.43Å; Y361-P387 HydrophobicContact CD1-CB 4.1Å; Y361-P387 HydrophobicContact CE1-CB 4.04Å; Y361-G413 WeakPolarHBondContact CA-O 3.38Å; Y361-G413 WeakPolarHBondContact CB-O 3.23Å; Y361-W414 HydrophobicContact CD1-CZ3 4.13Å |
| 362 | Y | 93.6 | Very high | 75.8 | Confident | 81 Ų | 81 | 54.3 Ų | 54.3 | 32% | 0.318 | 28% | 0.278 | S | S | . | . | trans | -70.4 | 131.1 | 179.7 | -69.7 | -73.6 | 0 | 0 | 0 | 110.4 | Y334 Q410 G413 W414 V415 | Y334-Y362 HydrophobicContact CD2-CE1 4.45Å; Y334-Y362 AromaticContact CE2-CD1 3.86Å; Y334-Y362 HydrophobicContact CE2-CD1 3.86Å; Y334-Y362 HydrophobicContact CE2-CE1 4.1Å; Y362-Q410 HydrophobicContact CD2-CG 4.38Å; Y362-Q410 HydrophobicContact CE2-CB 4.39Å; Y362-Q410 HydrophobicContact CE2-CG 3.9Å; Y362-G413 WeakPolarHBondContact CD2-O 3.37Å; Y362-G413 PolarHBondContact N-O 2.81Å; Y362-W414 VanDerWaalsContact CE2-O 3.24Å; Y362-W414 WeakPolarHBondContact CE2-O 3.46Å; Y362-V415 HydrophobicContact CD1-CG2 3.77Å; Y362-V415 HydrophobicContact CD2-CG2 4.02Å; Y362-V415 HydrophobicContact CE1-CG2 3.78Å; Y362-V415 HydrophobicContact CE2-CG2 4.01Å; Y362-V415 HydrophobicContact CG-CG2 3.89Å | ||
| 363 | F | 89.7 | Confident | 72.7 | Confident | 10 Ų | 10 | 61.5 Ų | 61.5 | 4% | 0.044 | 31% | 0.309 | C | S | . | . | trans | -142.9 | 141.8 | 172.5 | 60.5 | -91 | 0 | 0 | 0 | 112.3 | Q322 R323 Y334 K335 Y361 N365 Q385 | Q322-F363 HydrophobicContact CB-CE1 4.47Å; Q322-F363 HydrophobicContact CB-CZ 4.1Å; Q322-F363 VanDerWaalsContact O-CZ 3.27Å; Q322-F363 WeakPolarHBondContact O-CZ 3.32Å; R323-F363 HydrophobicContact CB-CE2 4.41Å; R323-F363 HydrophobicContact CG-CD2 4.34Å; R323-F363 HydrophobicContact CG-CE1 4.04Å; R323-F363 HydrophobicContact CG-CE2 3.76Å; R323-F363 HydrophobicContact CG-CZ 3.61Å; Y334-F363 AromaticContact CE1-CE1 3.82Å; Y334-F363 HydrophobicContact CE1-CE1 3.82Å; Y334-F363 HydrophobicContact CE1-CZ 4.38Å; Y334-F363 WeakPolarHBondContact OH-CD1 3.45Å; Y334-F363 WeakPolarHBondContact OH-CE1 3.27Å; Y334-F363 PolarHBondContact OH-N 2.94Å; K335-F363 WeakPolarHBondContact CE-O 3.28Å; K335-F363 PolarHBondContact NZ-O 3.01Å; Y361-F363 HydrophobicContact CD2-CD1 4.44Å; Y361-F363 HydrophobicContact CE2-CB 4.24Å; Y361-F363 HydrophobicContact CE2-CD1 4.29Å; Y361-F363 VanDerWaalsContact O-CD1 3.23Å; Y361-F363 WeakPolarHBondContact O-CD1 3.25Å; Y361-F363 PolarHBondContact O-N 2.79Å; F363-N365 VanDerWaalsContact CD2-O 3.23Å; F363-N365 WeakPolarHBondContact CD2-O 3.2Å; F363-Q385 HydrophobicContact CB-CB 4.18Å | ||
| 364 | N | 81.1 | Confident | 69.9 | Low | 140 Ų | 140 | 71.9 Ų | 71.9 | 75% | 0.749 | 35% | 0.347 | S | S | * | . | trans | -85.4 | -32.4 | -174 | -68.1 | -32.1 | 0 | 0 | 0 | 113.3 | ||||
| 365 | N | 64.5 | Low | 67 | Low | 74 Ų | 74 | 79.8 Ų | 79.8 | 40% | 0.396 | 38% | 0.384 | S | S | . | . | trans | -93.3 | 130.1 | -171.9 | -67.9 | -4.1 | 0 | 0 | 0 | 111.8 | F363 F383 | F363-N365 VanDerWaalsContact CD2-O 3.23Å; F363-N365 WeakPolarHBondContact CD2-O 3.2Å; N365-F383 WeakPolarHBondContact ND2-CD1 3.17Å; N365-F383 PolarHBondContact ND2-O 3Å | ||
| 366 | H | 54.8 | Low | 64 | Low | 110 Ų | 110 | 82.4 Ų | 82.4 | 51% | 0.509 | 40% | 0.397 | S | S | . | . | trans | -81.9 | 152 | 159.7 | -69 | -79.1 | 0 | 0 | 0 | 109.4 | R323 E368 | R323-H366 CarbonylContact O-C 3.59Å; H366-E368 HydrophobicContact CB-CG 4.32Å; H366-E368 PolarHBondContact O-N 2.72Å | ||
| 367 | D | 52.6 | Low | 61.3 | Low | 18 Ų | 18 | 87.2 Ų | 87.2 | 10% | 0.096 | 42% | 0.418 | C | S | . | . | trans | -64.1 | 47.1 | 167.8 | -53.7 | -17.3 | 0 | 0 | 0 | 112 | R323 G324 S325 A369 F384 | R323-D367 WeakPolarHBondContact CB-OD1 3.36Å; R323-D367 WeakPolarHBondContact CB-OD2 3.4Å; R323-D367 VanDerWaalsContact O-CB 3.23Å; R323-D367 WeakPolarHBondContact O-CB 3.29Å; R323-D367 PolarHBondContact O-N 3.45Å; G324-D367 PolarHBondContact N-OD2 2.65Å; G324-D367 VanDerWaalsContact N-OD2 3.14Å; S325-D367 VanDerWaalsContact CB-OD2 3.24Å; S325-D367 WeakPolarHBondContact CB-OD2 3.22Å; S325-D367 PolarHBondContact N-OD2 2.9Å; S325-D367 VanDerWaalsContact OG-CG 3.31Å; S325-D367 PolarHBondContact OG-OD2 3.22Å; D367-A369 PolarHBondContact O-N 2.69Å; D367-F384 HydrophobicContact CB-CE1 3.85Å; D367-F384 HydrophobicContact CB-CZ 3.82Å; D367-F384 WeakPolarHBondContact OD1-CD1 3.38Å; D367-F384 WeakPolarHBondContact OD1-CE1 3.28Å; D367-F384 WeakPolarHBondContact OD1-CZ 3.2Å | ||
| 368 | E | 39.9 | Very low | 58.5 | Low | 126 Ų | 126 | 95.3 Ų | 95.3 | 59% | 0.589 | 46% | 0.458 | S | S | * | . | trans | -73.2 | 67.5 | 170.6 | -71 | -151.8 | 139.4 | 0 | 0 | 110.6 | H366 K370 | H366-E368 HydrophobicContact CB-CG 4.32Å; H366-E368 PolarHBondContact O-N 2.72Å; E368-K370 PolarHBondContact O-N 2.85Å; E368-K370 IonicContact OE1-NZ 3.88Å; E368-K370 PolarHBondContact OE1-NZ 3.1Å | ||
| 369 | A | 38.6 | Very low | 55.6 | Low | 67 Ų | 67 | 102.5 Ų | 102.5 | 55% | 0.554 | 49% | 0.492 | S | S | * | . | trans | -66.4 | 61.9 | 148.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | D367 T371 L382 | D367-A369 PolarHBondContact O-N 2.69Å; A369-T371 VanDerWaalsContact C-N 3.33Å; A369-L382 HydrophobicContact CB-CD1 4.3Å; A369-L382 HydrophobicContact CB-CD2 4.03Å | ||
| 370 | K | 33.5 | Very low | 52.7 | Low | 164 Ų | 164 | 108.9 Ų | 108.9 | 71% | 0.713 | 52% | 0.521 | S | S | * | . | trans | -93.1 | 17.7 | 170.2 | -84.2 | -175.6 | -176.5 | 153.8 | 0 | 113.2 | E368 | E368-K370 PolarHBondContact O-N 2.85Å; E368-K370 IonicContact OE1-NZ 3.88Å; E368-K370 PolarHBondContact OE1-NZ 3.1Å | ||
| 371 | T | 30.7 | Very low | 50.2 | Low | 120 Ų | 120 | 113.4 Ų | 113.4 | 74% | 0.736 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -127.4 | 83.8 | 178.5 | 43.5 | 0 | 0 | 0 | 0 | 112.6 | A369 K373 | A369-T371 VanDerWaalsContact C-N 3.33Å; T371-K373 PolarHBondContact O-N 3.3Å; T371-K373 VanDerWaalsContact O-N 3.1Å |
| 372 | Q | 31.8 | Very low | 48.1 | Very low | 193 Ų | 193 | 116.4 Ų | 116.4 | 90% | 0.902 | 56% | 0.557 | S | S | * | * | trans | 11.2 | 82.2 | 134.7 | -166.4 | 160.8 | 3.6 | 0 | 0 | 117.9 | ||||
| 373 | K | 33.6 | Very low | 46.2 | Very low | 161 Ų | 161 | 115.5 Ų | 115.5 | 70% | 0.7 | 55% | 0.554 | S | S | * | * | trans | 172.2 | 111.8 | 137.4 | -110.5 | -178 | 169 | -173.4 | 0 | 110.2 | T371 E375 | T371-K373 PolarHBondContact O-N 3.3Å; T371-K373 VanDerWaalsContact O-N 3.1Å; K373-E375 VanDerWaalsContact C-N 3.26Å; K373-E375 PolarHBondContact O-N 3.33Å | ||
| 374 | Y | 37.4 | Very low | 45.5 | Very low | 227 Ų | 227 | 116.1 Ų | 116.1 | 89% | 0.89 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 1.1 | -175.9 | -84.6 | -88 | 0 | 0 | 0 | 116 | I376 | Y374-I376 VanDerWaalsContact C-N 3.28Å; Y374-I376 PolarHBondContact O-N 3.31Å |
| 375 | E | 37.9 | Very low | 45.9 | Very low | 177 Ų | 177 | 112.5 Ų | 112.5 | 83% | 0.827 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -0.1 | -179 | -72 | -169.8 | 156.7 | 0 | 0 | 114.3 | K373 | K373-E375 VanDerWaalsContact C-N 3.26Å; K373-E375 PolarHBondContact O-N 3.33Å |
| 376 | I | 35.5 | Very low | 47.2 | Very low | 57 Ų | 57 | 109 Ų | 109 | 29% | 0.292 | 52% | 0.518 | S | S | . | . | trans | -137.5 | 57.3 | -167.8 | -46.7 | 174.1 | 0 | 0 | 0 | 112.3 | Y374 M378 Q379 H380 | Y374-I376 VanDerWaalsContact C-N 3.28Å; Y374-I376 PolarHBondContact O-N 3.31Å; I376-M378 PolarHBondContact O-N 3.12Å; I376-Q379 HydrophobicContact CG2-CB 3.17Å; I376-Q379 HydrophobicContact CG2-CG 3.42Å; I376-Q379 VanDerWaalsContact CG2-CG 3.42Å; I376-H380 PolarHBondContact O-N 3.12Å | ||
| 377 | F | 42.6 | Very low | 49.1 | Very low | 104 Ų | 104 | 104.2 Ų | 104.2 | 46% | 0.456 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -18.6 | 163 | -145.5 | -101.7 | 0 | 0 | 0 | 111.7 | V185 | V185-F377 HydrophobicContact CG1-CD2 4.12Å; V185-F377 HydrophobicContact CG1-CE2 3.34Å; V185-F377 HydrophobicContact CG1-CZ 3.66Å |
| 378 | M | 39.5 | Very low | 51.2 | Low | 171 Ų | 171 | 104.4 Ų | 104.4 | 84% | 0.842 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -30.9 | -177.2 | -79.3 | -88.6 | -91.9 | 0 | 0 | 116.2 | I376 | I376-M378 PolarHBondContact O-N 3.12Š|
| 379 | Q | 38.5 | Very low | 53.8 | Low | 152 Ų | 152 | 99.8 Ų | 99.8 | 71% | 0.71 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -25.4 | 178.1 | -49.5 | 174.4 | -41.3 | 0 | 0 | 113.7 | I376 | I376-Q379 HydrophobicContact CG2-CB 3.17Å; I376-Q379 HydrophobicContact CG2-CG 3.42Å; I376-Q379 VanDerWaalsContact CG2-CG 3.42Å |
| 380 | H | 38.1 | Very low | 56.5 | Low | 133 Ų | 133 | 100.3 Ų | 100.3 | 62% | 0.616 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -108.6 | 68.4 | 172.7 | -72.3 | -109.8 | 0 | 0 | 0 | 108.1 | I376 L382 | I376-H380 PolarHBondContact O-N 3.12Å; H380-L382 VanDerWaalsContact C-N 3.32Å; H380-L382 PolarHBondContact O-N 3.49Å |
| 381 | K | 43.2 | Very low | 59.3 | Low | 95 Ų | 95 | 93.5 Ų | 93.5 | 41% | 0.413 | 45% | 0.453 | S | S | . | . | trans | -43.9 | 98.9 | 165 | -78.1 | 179.4 | 174.2 | -167.8 | 0 | 108.1 | E76 V77 N78 F383 | E76-K381 PolarHBondContact O-NZ 2.74Å; V77-K381 HydrophobicContact CB-CD 4.48Å; V77-K381 HydrophobicContact CG1-CB 3.62Å; V77-K381 HydrophobicContact CG1-CD 3.7Å; V77-K381 HydrophobicContact CG1-CG 3.79Å; N78-K381 VanDerWaalsContact OD1-CD 3.28Å; N78-K381 WeakPolarHBondContact OD1-CD 3.49Å; K381-F383 PolarHBondContact O-N 2.98Å | ||
| 382 | L | 52.8 | Low | 62.2 | Low | 65 Ų | 65 | 91.7 Ų | 91.7 | 34% | 0.34 | 45% | 0.445 | S | S | . | . | trans | -60.9 | 97.8 | 166.5 | -73.9 | 169 | 0 | 0 | 0 | 105.3 | A369 H380 F384 | A369-L382 HydrophobicContact CB-CD1 4.3Å; A369-L382 HydrophobicContact CB-CD2 4.03Å; H380-L382 VanDerWaalsContact C-N 3.32Å; H380-L382 PolarHBondContact O-N 3.49Å; L382-F384 HydrophobicContact CB-CD2 4.06Å; L382-F384 HydrophobicContact CB-CE1 4.21Å; L382-F384 HydrophobicContact CB-CE2 3.39Å; L382-F384 HydrophobicContact CB-CZ 3.5Å; L382-F384 HydrophobicContact CD1-CE2 3.99Å; L382-F384 HydrophobicContact CD1-CZ 4.01Å; L382-F384 HydrophobicContact CD2-CZ 4.13Å; L382-F384 HydrophobicContact CG-CE2 4.23Å; L382-F384 HydrophobicContact CG-CZ 4.09Å; L382-F384 PolarHBondContact O-N 2.69Å | ||
| 383 | F | 54.9 | Low | 65 | Low | 61 Ų | 61 | 86 Ų | 86 | 27% | 0.268 | 43% | 0.425 | S | S | . | . | trans | -76.2 | 98.4 | -176.3 | 177.4 | -105.7 | 0 | 0 | 0 | 108.2 | V77 N78 D80 N365 K381 | V77-F383 HydrophobicContact CG1-CD2 4.36Å; V77-F383 WeakPolarHBondContact O-CD2 3.29Å; V77-F383 VanDerWaalsContact O-CE2 3.26Å; V77-F383 WeakPolarHBondContact O-CE2 3.25Å; N78-F383 HydrophobicContact CB-CD2 3.68Å; N78-F383 HydrophobicContact CB-CE2 4.05Å; N78-F383 HydrophobicContact CB-CG 4.36Å; D80-F383 HydrophobicContact CB-CE2 3.59Å; D80-F383 HydrophobicContact CB-CZ 3.87Å; N365-F383 WeakPolarHBondContact ND2-CD1 3.17Å; N365-F383 PolarHBondContact ND2-O 3Å; K381-F383 PolarHBondContact O-N 2.98Å | ||
| 384 | F | 74.9 | Confident | 67.8 | Low | 23 Ų | 23 | 86.4 Ų | 86.4 | 10% | 0.101 | 42% | 0.423 | C | S | . | . | trans | -101 | 123.7 | 171.2 | -58.9 | -46 | 0 | 0 | 0 | 109.2 | S82 W84 D367 L382 | S82-F384 VanDerWaalsContact CA-O 3.25Å; S82-F384 WeakPolarHBondContact CA-O 3.44Å; S82-F384 WeakPolarHBondContact CB-O 3.09Å; S82-F384 PolarHBondContact OG-O 3Å; W84-F384 AromaticContact CD1-CD2 3.58Å; W84-F384 AromaticContact NE1-CD2 3.54Å; D367-F384 HydrophobicContact CB-CE1 3.85Å; D367-F384 HydrophobicContact CB-CZ 3.82Å; D367-F384 WeakPolarHBondContact OD1-CD1 3.38Å; D367-F384 WeakPolarHBondContact OD1-CE1 3.28Å; D367-F384 WeakPolarHBondContact OD1-CZ 3.2Å; L382-F384 HydrophobicContact CB-CD2 4.06Å; L382-F384 HydrophobicContact CB-CE1 4.21Å; L382-F384 HydrophobicContact CB-CE2 3.39Å; L382-F384 HydrophobicContact CB-CZ 3.5Å; L382-F384 HydrophobicContact CD1-CE2 3.99Å; L382-F384 HydrophobicContact CD1-CZ 4.01Å; L382-F384 HydrophobicContact CD2-CZ 4.13Å; L382-F384 HydrophobicContact CG-CE2 4.23Å; L382-F384 HydrophobicContact CG-CZ 4.09Å; L382-F384 PolarHBondContact O-N 2.69Å | ||
| 385 | Q | 87.8 | Confident | 70.5 | Confident | 64 Ų | 64 | 76.1 Ų | 76.1 | 30% | 0.299 | 38% | 0.383 | S | S | . | . | trans | -63 | 137.3 | -176.1 | -163.7 | 168.3 | 13.4 | 0 | 0 | 110 | Y361 F363 | Y361-Q385 PolarHBondContact OH-O 3.03Å; Y361-Q385 VanDerWaalsContact OH-O 3.1Å; F363-Q385 HydrophobicContact CB-CB 4.18Å | ||
| 386 | G | 92.2 | Very high | 73.2 | Confident | 2 Ų | 2 | 72.2 Ų | 72.2 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | trans | -69.9 | 175.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112 | D80 R81 Y361 | D80-G386 PolarHBondContact OD2-N 3.5Å; R81-G386 WeakPolarHBondContact O-CA 3.39Å; Y361-G386 VanDerWaalsContact CE2-O 3.23Å; Y361-G386 WeakPolarHBondContact CE2-O 3.43Å | ||
| 387 | P | 95.4 | Very high | 76.2 | Confident | 8 Ų | 8 | 69.6 Ų | 69.6 | 5% | 0.052 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -63.9 | 164 | 168.4 | 32.3 | -36.7 | 0 | 0 | 0 | 110.4 | E42 R97 Y361 S389 T397 W414 | E42-P387 HydrophobicContact CB-CB 3.71Å; E42-P387 HydrophobicContact CB-CG 4Å; E42-P387 HydrophobicContact CG-CB 4.22Å; E42-P387 HydrophobicContact CG-CG 4.25Å; E42-P387 WeakPolarHBondContact OE2-CD 3.2Å; E42-P387 VanDerWaalsContact OE2-CG 3.29Å; E42-P387 WeakPolarHBondContact OE2-CG 3.48Å; R97-P387 VanDerWaalsContact NH1-CD 3.32Å; Y361-P387 HydrophobicContact CD1-CB 4.1Å; Y361-P387 HydrophobicContact CE1-CB 4.04Å; P387-S389 PolarHBondContact O-N 3.2Å; P387-T397 HydrophobicContact CB-CG2 4.36Å; P387-T397 HydrophobicContact CG-CG2 4.37Å; P387-W414 HydrophobicContact CB-CH2 4.16Å |
| 388 | P | 96.3 | Very high | 78.8 | Confident | 22 Ų | 22 | 67.5 Ų | 67.5 | 14% | 0.143 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -50.4 | 127 | 170.7 | -25.5 | 35.2 | 0 | 0 | 0 | 110.4 | T397 N398 S412 W414 | P388-T397 CarbonylContact O-C 3.52Å; P388-T397 WeakPolarHBondContact O-CA 3.39Å; P388-N398 HydrophobicContact CB-CB 4.16Å; P388-N398 PolarHBondContact O-N 2.82Å; P388-S412 WeakPolarHBondContact CB-O 3.43Å; P388-W414 HydrophobicContact CG-CD2 4.36Å |
| 389 | S | 95.6 | Very high | 81.6 | Confident | 30 Ų | 30 | 61.5 Ų | 61.5 | 21% | 0.21 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -147.1 | 171.6 | -177.3 | 73.7 | 0 | 0 | 0 | 0 | 112.9 | P387 G391 I396 N398 | P387-S389 PolarHBondContact O-N 3.2Å; S389-G391 PolarHBondContact O-N 2.9Å; S389-G391 PolarHBondContact OG-N 3.27Å; S389-I396 CarbonylContact C-O 3.56Å; S389-I396 WeakPolarHBondContact CA-O 3.43Å; S389-I396 VanDerWaalsContact CB-O 3.25Å; S389-I396 WeakPolarHBondContact CB-O 3.31Å; S389-N398 VanDerWaalsContact C-OD1 3.25Å; S389-N398 PolarHBondContact N-ND2 3.46Å; S389-N398 PolarHBondContact O-ND2 3.12Å |
| 390 | T | 95.2 | Very high | 84.4 | Confident | 78 Ų | 78 | 54.9 Ų | 54.9 | 48% | 0.479 | 29% | 0.292 | S | S | . | . | trans | -68.2 | -8.5 | 173 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | I396 N398 | T390-I396 HydrophobicContact CG2-CB 4.03Å; T390-I396 PolarHBondContact N-O 2.77Å; T390-I396 PolarHBondContact OG1-N 2.81Å; T390-N398 PolarHBondContact N-OD1 3.21Å | ||
| 391 | G | 92.1 | Very high | 87.3 | Confident | 21 Ų | 21 | 51.4 Ų | 51.4 | 22% | 0.216 | 28% | 0.281 | C | S | . | . | trans | 70.6 | -168.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S389 Y394 F395 | S389-G391 PolarHBondContact O-N 2.9Å; S389-G391 PolarHBondContact OG-N 3.27Å; G391-Y394 PolarHBondContact O-N 3.5Å; G391-Y394 VanDerWaalsContact O-N 3.1Å; G391-F395 PolarHBondContact O-N 3.38Å | ||
| 392 | S | 91.4 | Very high | 89.9 | Confident | 81 Ų | 81 | 50.5 Ų | 50.5 | 57% | 0.566 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 140.9 | -177.4 | 172.7 | 0 | 0 | 0 | 0 | 113 | F395 | S392-F395 VanDerWaalsContact CA-CE2 3.47Š|
| 393 | P | 90.6 | Very high | 92 | Very high | 74 Ų | 74 | 50 Ų | 50 | 48% | 0.481 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -91.1 | -4.2 | 0.2 | 35.3 | -35.7 | 0 | 0 | 0 | 114.4 | R81 | R81-P393 PolarHBondContact NH2-O 3.06Š|
| 394 | Y | 91.7 | Very high | 93.8 | Very high | 169 Ų | 169 | 52.5 Ų | 52.5 | 66% | 0.663 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -38.3 | -163.5 | -57.7 | -68.2 | 0 | 0 | 0 | 114.1 | G391 I396 | G391-Y394 PolarHBondContact O-N 3.5Å; G391-Y394 VanDerWaalsContact O-N 3.1Å; Y394-I396 VanDerWaalsContact C-N 3.25Å; Y394-I396 PolarHBondContact O-N 3.09Å |
| 395 | F | 94.6 | Very high | 94.5 | Very high | 12 Ų | 12 | 57.2 Ų | 57.2 | 5% | 0.053 | 32% | 0.322 | C | S | . | . | trans | 51.7 | 42.3 | -179 | -61.4 | -87.7 | 0 | 0 | 0 | 113.4 | E76 G79 R81 G391 S392 T397 | E76-F395 HydrophobicContact CG-CE2 3.77Å; E76-F395 HydrophobicContact CG-CZ 3.84Å; E76-F395 VanDerWaalsContact OE1-CE2 3.29Å; E76-F395 WeakPolarHBondContact OE1-CE2 3.33Å; G79-F395 WeakPolarHBondContact O-CZ 3.49Å; R81-F395 HydrophobicContact CB-CD1 4.19Å; R81-F395 HydrophobicContact CB-CG 4.28Å; R81-F395 HydrophobicContact CG-CB 4.14Å; R81-F395 HydrophobicContact CG-CD1 3.94Å; R81-F395 HydrophobicContact CG-CD2 3.83Å; R81-F395 HydrophobicContact CG-CE1 4.3Å; R81-F395 HydrophobicContact CG-CE2 4.16Å; R81-F395 HydrophobicContact CG-CG 3.69Å; R81-F395 HydrophobicContact CG-CZ 4.38Å; R81-F395 VanDerWaalsContact NE-CD2 3.28Å; G391-F395 PolarHBondContact O-N 3.38Å; S392-F395 VanDerWaalsContact CA-CE2 3.47Å; F395-T397 PolarHBondContact O-N 3.39Å | ||
| 396 | I | 95.1 | Very high | 94.8 | Very high | 94 Ų | 94 | 55.3 Ų | 55.3 | 48% | 0.482 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 125.1 | 173.7 | -59.9 | 169 | 0 | 0 | 0 | 107.1 | S389 T390 Y394 N398 | S389-I396 CarbonylContact C-O 3.56Å; S389-I396 WeakPolarHBondContact CA-O 3.43Å; S389-I396 VanDerWaalsContact CB-O 3.25Å; S389-I396 WeakPolarHBondContact CB-O 3.31Å; T390-I396 HydrophobicContact CG2-CB 4.03Å; T390-I396 PolarHBondContact N-O 2.77Å; T390-I396 PolarHBondContact OG1-N 2.81Å; Y394-I396 VanDerWaalsContact C-N 3.25Å; Y394-I396 PolarHBondContact O-N 3.09Å; I396-N398 PolarHBondContact O-N 3.42Å |
| 397 | T | 97.4 | Very high | 95 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -58.8 | 128.3 | 177.2 | -52.4 | 0 | 0 | 0 | 0 | 110.4 | R44 R97 P387 P388 F395 W414 | R44-T397 VanDerWaalsContact CD-O 3.28Å; R44-T397 WeakPolarHBondContact CD-O 3.37Å; R44-T397 HydrophobicContact CG-CG2 4.18Å; R97-T397 PolarHBondContact O-OG1 2.72Å; P387-T397 HydrophobicContact CB-CG2 4.36Å; P387-T397 HydrophobicContact CG-CG2 4.37Å; P388-T397 CarbonylContact O-C 3.52Å; P388-T397 WeakPolarHBondContact O-CA 3.39Å; F395-T397 PolarHBondContact O-N 3.39Å; T397-W414 HydrophobicContact CG2-CH2 4.17Å; T397-W414 HydrophobicContact CG2-CZ2 3.77Å |
| 398 | N | 97.7 | Very high | 95.1 | Very high | 60 Ų | 60 | 58 Ų | 58 | 32% | 0.321 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 138.7 | 179.3 | -64.7 | -20.1 | 0 | 0 | 0 | 110.1 | P388 S389 T390 I396 W414 | P388-N398 HydrophobicContact CB-CB 4.16Å; P388-N398 PolarHBondContact O-N 2.82Å; S389-N398 VanDerWaalsContact C-OD1 3.25Å; S389-N398 PolarHBondContact N-ND2 3.46Å; S389-N398 PolarHBondContact O-ND2 3.12Å; T390-N398 PolarHBondContact N-OD1 3.21Å; I396-N398 PolarHBondContact O-N 3.42Å; N398-W414 WeakPolarHBondContact O-CZ2 3.34Å; N398-W414 PolarHBondContact O-NE1 2.82Å |
| 399 | S | 98.2 | Very high | 95.2 | Very high | 45 Ų | 45 | 60.5 Ų | 60.5 | 32% | 0.315 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 146.5 | 172.2 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | D47 | D47-S399 VanDerWaalsContact CG-OG 3.29Å; D47-S399 WeakPolarHBondContact OD1-CB 3.18Å; D47-S399 PolarHBondContact OD1-OG 2.86Å; D47-S399 WeakPolarHBondContact OD2-CA 3.36Å; D47-S399 PolarHBondContact OD2-OG 2.82Å; D47-S399 VanDerWaalsContact OD2-OG 3.09Å |
| 400 | P | 98.2 | Very high | 95.1 | Very high | 12 Ų | 12 | 66 Ų | 66 | 8% | 0.078 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 145 | 169.7 | 26.1 | -30.6 | 0 | 0 | 0 | 111.3 | W43 F402 W414 | W43-P400 HydrophobicContact CE3-CG 3.97Å; W43-P400 HydrophobicContact CH2-CB 4.16Å; W43-P400 HydrophobicContact CH2-CG 3.59Å; W43-P400 HydrophobicContact CZ2-CG 4.2Å; W43-P400 HydrophobicContact CZ3-CG 3.47Å; W43-P400 VanDerWaalsContact CZ3-CG 3.47Å; P400-F402 HydrophobicContact CB-CE1 4.1Å; P400-F402 HydrophobicContact CB-CZ 4.07Å; P400-F402 HydrophobicContact CG-CE1 4.45Å; P400-F402 HydrophobicContact CG-CZ 3.99Å; P400-W414 VanDerWaalsContact CA-CD1 3.42Å; P400-W414 HydrophobicContact CB-CB 4.18Å; P400-W414 HydrophobicContact CB-CG 3.89Å |
| 401 | T | 98.2 | Very high | 95.1 | Very high | 61 Ų | 61 | 68.6 Ų | 68.6 | 37% | 0.374 | 38% | 0.379 | S | S | . | . | trans | -118.1 | 148.8 | 170.6 | 59.8 | 0 | 0 | 0 | 0 | 109.2 | C408 E409 S412 | T401-C408 CarbonylContact O-C 3.47Å; T401-C408 WeakPolarHBondContact O-CA 3.36Å; T401-E409 VanDerWaalsContact CB-OE2 3.27Å; T401-E409 WeakPolarHBondContact CB-OE2 3.22Å; T401-E409 PolarHBondContact O-N 2.66Å; T401-E409 PolarHBondContact OG1-OE2 2.67Å; T401-S412 WeakPolarHBondContact OG1-CB 3.46Å | ||
| 402 | F | 98 | Very high | 95.3 | Very high | 76 Ų | 76 | 68.1 Ų | 68.1 | 33% | 0.333 | 37% | 0.373 | S | S | . | . | B | Isolated β-bridge | trans | -121.3 | 141.2 | -170.7 | -47.6 | -72.1 | 0 | 0 | 0 | 111.9 | P400 H407 C408 R419 | P400-F402 HydrophobicContact CB-CE1 4.1Å; P400-F402 HydrophobicContact CB-CZ 4.07Å; P400-F402 HydrophobicContact CG-CE1 4.45Å; P400-F402 HydrophobicContact CG-CZ 3.99Å; F402-H407 CarbonylContact C-O 3.4Å; F402-H407 WeakPolarHBondContact CA-O 3.37Å; F402-C408 WeakPolarHBondContact CE1-SG 3.32Å; F402-R419 VanDerWaalsContact CE1-CD 3.4Å; F402-R419 VanDerWaalsContact CZ-CZ 3.48Å |
| 403 | N | 96.2 | Very high | 95.6 | Very high | 53 Ų | 53 | 65.1 Ų | 65.1 | 28% | 0.283 | 36% | 0.355 | S | S | . | . | trans | -79.5 | -179.1 | 173.3 | 68.4 | 8.6 | 0 | 0 | 0 | 112 | E405 G406 H407 E409 | N403-E405 PolarHBondContact ND2-OE2 3.46Å; N403-E405 VanDerWaalsContact ND2-OE2 3.11Å; N403-E405 PolarHBondContact O-N 2.98Å; N403-E405 WeakPolarHBondContact OD1-CA 3.45Å; N403-E405 PolarHBondContact OD1-N 3.1Å; N403-E405 VanDerWaalsContact OD1-N 3.09Å; N403-E405 PolarHBondContact OD1-OE2 3.03Å; N403-G406 PolarHBondContact O-N 2.68Å; N403-G406 PolarHBondContact OD1-N 3.02Å; N403-H407 PolarHBondContact N-O 3.38Å; N403-H407 PolarHBondContact OD1-N 3.31Å; N403-H407 PolarHBondContact OD1-O 2.84Å; N403-E409 HydrophobicContact CB-CG 4.21Å | ||
| 404 | S | 93.7 | Very high | 95.9 | Very high | 115 Ų | 115 | 61.6 Ų | 61.6 | 80% | 0.804 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -25.4 | 178.1 | 39.2 | 0 | 0 | 0 | 0 | 114.1 | G406 | S404-G406 VanDerWaalsContact C-N 3.31Š|
| 405 | E | 89.3 | Confident | 96.2 | Very high | 122 Ų | 122 | 53.7 Ų | 53.7 | 57% | 0.57 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -4.3 | 177.1 | -60.6 | 70.2 | -135.2 | 0 | 0 | 112.7 | N403 | N403-E405 PolarHBondContact ND2-OE2 3.46Å; N403-E405 VanDerWaalsContact ND2-OE2 3.11Å; N403-E405 PolarHBondContact O-N 2.98Å; N403-E405 WeakPolarHBondContact OD1-CA 3.45Å; N403-E405 PolarHBondContact OD1-N 3.1Å; N403-E405 VanDerWaalsContact OD1-N 3.09Å; N403-E405 PolarHBondContact OD1-OE2 3.03Å |
| 406 | G | 94.1 | Very high | 96.4 | Very high | 23 Ų | 23 | 53.1 Ų | 53.1 | 24% | 0.237 | 30% | 0.299 | C | S | . | . | S | Bend | trans | 80.8 | 10.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | N403 S404 R419 | N403-G406 PolarHBondContact O-N 2.68Å; N403-G406 PolarHBondContact OD1-N 3.02Å; S404-G406 VanDerWaalsContact C-N 3.31Å; G406-R419 PolarHBondContact O-NH1 2.87Å |
| 407 | H | 96.1 | Very high | 96.6 | Very high | 54 Ų | 54 | 48.7 Ų | 48.7 | 25% | 0.25 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -83.6 | 154.1 | 173.1 | -55.6 | 162.4 | 0 | 0 | 0 | 110.3 | F402 N403 E409 R419 S421 | F402-H407 CarbonylContact C-O 3.4Å; F402-H407 WeakPolarHBondContact CA-O 3.37Å; N403-H407 PolarHBondContact N-O 3.38Å; N403-H407 PolarHBondContact OD1-N 3.31Å; N403-H407 PolarHBondContact OD1-O 2.84Å; H407-E409 PolarHBondContact O-N 2.94Å; H407-R419 PolarHBondContact CD2-O 3.28Å; H407-S421 PolarHBondContact CE1-OG 3.12Å; H407-S421 PolarHBondContact NE2-OG 3.42Å |
| 408 | C | 97.7 | Very high | 96.6 | Very high | 13 Ų | 13 | 48.6 Ų | 48.6 | 9% | 0.088 | 28% | 0.275 | C | S | . | . | B | Isolated β-bridge | trans | -65.4 | 130.2 | 173 | -75.9 | 0 | 0 | 0 | 0 | 110.9 | T401 F402 Q410 W414 C416 | T401-C408 CarbonylContact O-C 3.47Å; T401-C408 WeakPolarHBondContact O-CA 3.36Å; F402-C408 WeakPolarHBondContact CE1-SG 3.32Å; C408-Q410 PolarHBondContact O-N 3.33Å; C408-W414 HydrophobicContact CB-CB 4.25Å; C408-W414 WeakPolarHBondContact CB-O 3.41Å; C408-C416 HydrophobicContact CB-CB 3.63Å; C408-C416 WeakPolarHBondContact CB-SG 3.24Å; C408-C416 WeakPolarHBondContact SG-CB 3.39Å; C408-C416 CovalentContact SG-SG 2.01Å; C408-C416 PolarHBondContact SG-SG 3.2Å |
| 409 | E | 97.6 | Very high | 96.6 | Very high | 75 Ų | 75 | 46.6 Ų | 46.6 | 35% | 0.35 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 130.5 | 172.3 | -62 | -177.8 | 136.3 | 0 | 0 | 108.3 | T401 N403 H407 T411 S412 | T401-E409 VanDerWaalsContact CB-OE2 3.27Å; T401-E409 WeakPolarHBondContact CB-OE2 3.22Å; T401-E409 PolarHBondContact O-N 2.66Å; T401-E409 PolarHBondContact OG1-OE2 2.67Å; N403-E409 HydrophobicContact CB-CG 4.21Å; H407-E409 PolarHBondContact O-N 2.94Å; E409-T411 PolarHBondContact O-N 3.2Å; E409-S412 VanDerWaalsContact O-CB 3.32Å; E409-S412 WeakPolarHBondContact O-CB 3.19Å; E409-S412 PolarHBondContact O-N 3.31Å; E409-S412 PolarHBondContact O-OG 2.87Å |
| 410 | Q | 94 | Very high | 96.6 | Very high | 146 Ų | 146 | 46.9 Ų | 46.9 | 68% | 0.682 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -56.2 | -30.2 | 180 | -171.9 | 178.2 | 4.7 | 0 | 0 | 112.2 | Y362 C408 S412 G413 | Y362-Q410 HydrophobicContact CD2-CG 4.38Å; Y362-Q410 HydrophobicContact CE2-CB 4.39Å; Y362-Q410 HydrophobicContact CE2-CG 3.9Å; C408-Q410 PolarHBondContact O-N 3.33Å; Q410-S412 VanDerWaalsContact C-N 3.26Å; Q410-S412 PolarHBondContact O-N 3.03Å; Q410-G413 PolarHBondContact O-N 2.86Å; Q410-G413 VanDerWaalsContact O-N 3.11Å |
| 411 | T | 95.5 | Very high | 96.4 | Very high | 131 Ų | 131 | 49.2 Ų | 49.2 | 80% | 0.804 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -65.9 | -22.1 | 176.2 | 45.3 | 0 | 0 | 0 | 0 | 114.1 | E409 G413 | E409-T411 PolarHBondContact O-N 3.2Å; T411-G413 PolarHBondContact O-N 3.06Å |
| 412 | S | 96.6 | Very high | 96.3 | Very high | 12 Ų | 12 | 48.2 Ų | 48.2 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -71.7 | -18.3 | 172.8 | 73.8 | 0 | 0 | 0 | 0 | 112.7 | P388 T401 E409 Q410 W414 | P388-S412 WeakPolarHBondContact CB-O 3.43Å; T401-S412 WeakPolarHBondContact OG1-CB 3.46Å; E409-S412 VanDerWaalsContact O-CB 3.32Å; E409-S412 WeakPolarHBondContact O-CB 3.19Å; E409-S412 PolarHBondContact O-N 3.31Å; E409-S412 PolarHBondContact O-OG 2.87Å; Q410-S412 VanDerWaalsContact C-N 3.26Å; Q410-S412 PolarHBondContact O-N 3.03Å; S412-W414 VanDerWaalsContact C-N 3.27Å; S412-W414 PolarHBondContact O-N 3.41Å; S412-W414 PolarHBondContact OG-N 2.88Å |
| 413 | G | 96.2 | Very high | 96.3 | Very high | 17 Ų | 17 | 44.7 Ų | 44.7 | 18% | 0.175 | 25% | 0.252 | C | S | . | . | S | Bend | trans | 82.9 | -6.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y361 Y362 Q410 T411 | Y361-G413 WeakPolarHBondContact CA-O 3.38Å; Y361-G413 WeakPolarHBondContact CB-O 3.23Å; Y362-G413 WeakPolarHBondContact CD2-O 3.37Å; Y362-G413 PolarHBondContact N-O 2.81Å; Q410-G413 PolarHBondContact O-N 2.86Å; Q410-G413 VanDerWaalsContact O-N 3.11Å; T411-G413 PolarHBondContact O-N 3.06Å |
| 414 | W | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -92 | 143.6 | 178.4 | -60.8 | 94.8 | 0 | 0 | 0 | 112.5 | F41 E42 W43 Y361 Y362 P387 P388 T397 N398 P400 C408 S412 C416 | F41-W414 WeakPolarHBondContact O-CZ3 3.29Å; E42-W414 HydrophobicContact CB-CH2 4.25Å; W43-W414 AromaticContact CD1-CE3 3.92Å; W43-W414 AromaticContact CD1-CH2 3.86Å; W43-W414 AromaticContact CD1-CZ3 3.38Å; W43-W414 HydrophobicContact CG-CH2 4.34Å; W43-W414 HydrophobicContact CG-CZ3 4.22Å; W43-W414 AromaticContact NE1-CE3 3.49Å; W43-W414 AromaticContact NE1-CZ3 3.46Å; Y361-W414 HydrophobicContact CD1-CZ3 4.13Å; Y362-W414 VanDerWaalsContact CE2-O 3.24Å; Y362-W414 WeakPolarHBondContact CE2-O 3.46Å; P387-W414 HydrophobicContact CB-CH2 4.16Å; P388-W414 HydrophobicContact CG-CD2 4.36Å; T397-W414 HydrophobicContact CG2-CH2 4.17Å; T397-W414 HydrophobicContact CG2-CZ2 3.77Å; N398-W414 WeakPolarHBondContact O-CZ2 3.34Å; N398-W414 PolarHBondContact O-NE1 2.82Å; P400-W414 VanDerWaalsContact CA-CD1 3.42Å; P400-W414 HydrophobicContact CB-CB 4.18Å; P400-W414 HydrophobicContact CB-CG 3.89Å; C408-W414 HydrophobicContact CB-CB 4.25Å; C408-W414 WeakPolarHBondContact CB-O 3.41Å; S412-W414 VanDerWaalsContact C-N 3.27Å; S412-W414 PolarHBondContact O-N 3.41Å; S412-W414 PolarHBondContact OG-N 2.88Å; W414-C416 VanDerWaalsContact CB-SG 3.58Å |
| 415 | V | 98.1 | Very high | 96.4 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.024 | 22% | 0.224 | C | C | . | . | trans | -89.8 | -45 | 178.7 | 179.2 | 0 | 0 | 0 | 0 | 111 | Y334 S360 Y362 E417 W420 | Y334-V415 HydrophobicContact CD1-CG1 4.28Å; Y334-V415 HydrophobicContact CD1-CG2 4.19Å; Y334-V415 HydrophobicContact CD2-CG1 3.84Å; Y334-V415 HydrophobicContact CD2-CG2 3.83Å; Y334-V415 HydrophobicContact CE1-CG2 4.06Å; Y334-V415 HydrophobicContact CE2-CG2 3.71Å; Y334-V415 HydrophobicContact CG-CB 4.45Å; Y334-V415 HydrophobicContact CG-CG1 3.7Å; Y334-V415 HydrophobicContact CG-CG2 4.09Å; S360-V415 WeakPolarHBondContact O-CB 3.35Å; S360-V415 PolarHBondContact O-N 2.87Å; Y362-V415 HydrophobicContact CD1-CG2 3.77Å; Y362-V415 HydrophobicContact CD2-CG2 4.02Å; Y362-V415 HydrophobicContact CE1-CG2 3.78Å; Y362-V415 HydrophobicContact CE2-CG2 4.01Å; Y362-V415 HydrophobicContact CG-CG2 3.89Å; V415-E417 VanDerWaalsContact CG1-CD 3.47Å; V415-E417 HydrophobicContact CG1-CG 3.69Å; V415-E417 WeakPolarHBondContact CG1-OE2 3.38Å; V415-W420 HydrophobicContact CG1-CZ2 3.89Å; V415-W420 PolarHBondContact O-NE1 2.87Å | ||
| 416 | C | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | 53.1 | 56.1 | 178.9 | -49.8 | 0 | 0 | 0 | 0 | 112.9 | C408 W414 H418 R419 W420 | C408-C416 HydrophobicContact CB-CB 3.63Å; C408-C416 WeakPolarHBondContact CB-SG 3.24Å; C408-C416 WeakPolarHBondContact SG-CB 3.39Å; C408-C416 CovalentContact SG-SG 2.01Å; C408-C416 PolarHBondContact SG-SG 3.2Å; W414-C416 VanDerWaalsContact CB-SG 3.58Å; C416-H418 PolarHBondContact O-N 3.48Å; C416-R419 HydrophobicContact CB-CB 3.98Å; C416-R419 HydrophobicContact CB-CG 4.32Å; C416-R419 WeakPolarHBondContact O-CA 3.22Å; C416-R419 WeakPolarHBondContact O-CB 3.47Å; C416-R419 PolarHBondContact O-N 3.16Å; C416-W420 VanDerWaalsContact O-CD1 3.32Å | ||
| 417 | E | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -54.8 | -35.4 | -179.8 | -58.6 | 87.9 | 137.3 | 0 | 0 | 111.5 | Q322 Y334 Y340 M358 S359 S360 V415 R419 W420 I423 | Q322-E417 PolarHBondContact NE2-OE1 3.47Å; Y334-E417 WeakPolarHBondContact CD1-OE1 3.45Å; Y340-E417 HydrophobicContact CE1-CB 4.12Å; Y340-E417 HydrophobicContact CE1-CG 3.94Å; M358-E417 WeakPolarHBondContact O-CB 3.27Å; S359-E417 WeakPolarHBondContact CA-OE2 3.34Å; S360-E417 WeakPolarHBondContact CB-OE1 3.48Å; S360-E417 PolarHBondContact N-OE2 3.22Å; V415-E417 VanDerWaalsContact CG1-CD 3.47Å; V415-E417 HydrophobicContact CG1-CG 3.69Å; V415-E417 WeakPolarHBondContact CG1-OE2 3.38Å; E417-R419 PolarHBondContact O-N 3.16Å; E417-W420 HydrophobicContact CG-CZ2 4.13Å; E417-W420 VanDerWaalsContact O-CB 3.32Å; E417-W420 WeakPolarHBondContact O-CB 3.39Å; E417-W420 PolarHBondContact O-N 3.39Å; E417-I423 HydrophobicContact CB-CD1 4.21Å; E417-I423 VanDerWaalsContact O-CD1 3.28Å; E417-I423 WeakPolarHBondContact O-CD1 3.42Å |
| 418 | H | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -62.8 | -21.3 | 174.5 | 70.3 | -63 | 0 | 0 | 0 | 114 | V38 W43 E51 Y55 I357 S359 C416 | V38-H418 HydrophobicContact CG2-CB 3.73Å; W43-H418 AromaticContact CH2-CE1 3.94Å; W43-H418 AromaticContact CZ2-CE1 3.8Å; E51-H418 IonicContact OE1-CD2 2.7Å; E51-H418 PolarHBondContact OE1-CD2 3.15Å; E51-H418 IonicContact OE1-CE1 3.56Å; E51-H418 IonicContact OE1-NE2 3.43Å; E51-H418 PolarHBondContact OE1-NE2 2.89Å; Y55-H418 AromaticContact CE1-CD2 3.83Å; Y55-H418 PolarHBondContact OH-O 2.78Å; I357-H418 HydrophobicContact CD1-CB 3.62Å; I357-H418 HydrophobicContact CG1-CB 4.38Å; S359-H418 VanDerWaalsContact CB-ND1 3.28Å; S359-H418 WeakPolarHBondContact CB-ND1 3.34Å; S359-H418 PolarHBondContact OG-CE1 3.01Å; S359-H418 PolarHBondContact OG-ND1 3.03Å; S359-H418 VanDerWaalsContact OG-ND1 3.12Å; C416-H418 PolarHBondContact O-N 3.48Å |
| 419 | R | 97.8 | Very high | 97.2 | Very high | 19 Ų | 19 | 34.8 Ų | 34.8 | 7% | 0.072 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -88 | -9.8 | 174.3 | -78 | 176.3 | 166.5 | -98.2 | 6.9 | 114.3 | E51 Y55 F402 G406 H407 C416 E417 S421 | E51-R419 VanDerWaalsContact CD-NH2 3.33Å; E51-R419 IonicContact OE1-CZ 3.82Å; E51-R419 IonicContact OE1-NE 3.51Å; E51-R419 PolarHBondContact OE1-NE 2.96Å; E51-R419 IonicContact OE1-NH2 3.32Å; E51-R419 PolarHBondContact OE1-NH2 3.41Å; E51-R419 IonicContact OE2-CZ 2.61Å; E51-R419 VanDerWaalsContact OE2-CZ 3.31Å; E51-R419 IonicContact OE2-NE 2.8Å; E51-R419 PolarHBondContact OE2-NE 2.81Å; E51-R419 VanDerWaalsContact OE2-NE 3.14Å; E51-R419 IonicContact OE2-NH2 3.17Å; E51-R419 PolarHBondContact OE2-NH2 3.21Å; Y55-R419 HydrophobicContact CD1-CG 4.1Å; Y55-R419 HydrophobicContact CD2-CG 4.29Å; Y55-R419 HydrophobicContact CE1-CG 3.77Å; Y55-R419 HydrophobicContact CE2-CG 3.96Å; Y55-R419 HydrophobicContact CG-CG 4.37Å; Y55-R419 WeakPolarHBondContact OH-CA 3.32Å; F402-R419 VanDerWaalsContact CE1-CD 3.4Å; F402-R419 VanDerWaalsContact CZ-CZ 3.48Å; G406-R419 PolarHBondContact O-NH1 2.87Å; H407-R419 PolarHBondContact CD2-O 3.28Å; C416-R419 HydrophobicContact CB-CB 3.98Å; C416-R419 HydrophobicContact CB-CG 4.32Å; C416-R419 WeakPolarHBondContact O-CA 3.22Å; C416-R419 WeakPolarHBondContact O-CB 3.47Å; C416-R419 PolarHBondContact O-N 3.16Å; E417-R419 PolarHBondContact O-N 3.16Å; R419-S421 PolarHBondContact O-N 2.96Å |
| 420 | W | 97 | Very high | 97.2 | Very high | 50 Ų | 50 | 32.3 Ų | 32.3 | 19% | 0.189 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -61.4 | 128.8 | 176.5 | -65.7 | 6.7 | 0 | 0 | 0 | 109.2 | Y340 V415 C416 E417 T422 I423 R424 | Y340-W420 HydrophobicContact CD1-CH2 4.24Å; Y340-W420 AromaticContact CD1-CZ3 3.83Å; Y340-W420 HydrophobicContact CD1-CZ3 3.83Å; Y340-W420 HydrophobicContact CE1-CZ3 4.32Å; V415-W420 HydrophobicContact CG1-CZ2 3.89Å; V415-W420 PolarHBondContact O-NE1 2.87Å; C416-W420 VanDerWaalsContact O-CD1 3.32Å; E417-W420 HydrophobicContact CG-CZ2 4.13Å; E417-W420 VanDerWaalsContact O-CB 3.32Å; E417-W420 WeakPolarHBondContact O-CB 3.39Å; E417-W420 PolarHBondContact O-N 3.39Å; W420-T422 PolarHBondContact O-N 3.14Å; W420-T422 VanDerWaalsContact O-N 3.08Å; W420-I423 HydrophobicContact CB-CB 4.31Å; W420-I423 HydrophobicContact CB-CD1 4.33Å; W420-I423 HydrophobicContact CB-CG1 4.34Å; W420-I423 HydrophobicContact CD2-CD1 4.36Å; W420-I423 HydrophobicContact CE3-CD1 3.9Å; W420-I423 PolarHBondContact O-N 3.19Å; W420-R424 PolarHBondContact O-N 3.41Å |
| 421 | S | 94.7 | Very high | 97.4 | Very high | 61 Ų | 61 | 26.5 Ų | 26.5 | 43% | 0.427 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -50.9 | -43.7 | -172.9 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | H407 R419 R424 R425 | H407-S421 PolarHBondContact CE1-OG 3.12Å; H407-S421 PolarHBondContact NE2-OG 3.42Å; R419-S421 PolarHBondContact O-N 2.96Å; S421-R424 PolarHBondContact O-N 3.07Å; S421-R425 WeakPolarHBondContact O-CG 3.46Å; S421-R425 PolarHBondContact O-N 2.87Å |
| 422 | T | 95.4 | Very high | 97.6 | Very high | 41 Ų | 41 | 23.7 Ų | 23.7 | 25% | 0.252 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -65.7 | -41.5 | -179.7 | 56 | 0 | 0 | 0 | 0 | 112.8 | F341 W420 R425 M426 V485 | F341-T422 VanDerWaalsContact CD2-OG1 3.24Å; F341-T422 WeakPolarHBondContact CD2-OG1 3.38Å; F341-T422 HydrophobicContact CE1-CG2 4.46Å; F341-T422 HydrophobicContact CE2-CG2 4.42Å; F341-T422 HydrophobicContact CZ-CG2 4.31Å; W420-T422 PolarHBondContact O-N 3.14Å; W420-T422 VanDerWaalsContact O-N 3.08Å; T422-R425 PolarHBondContact O-N 2.67Å; T422-M426 WeakPolarHBondContact O-CG 3.3Å; T422-M426 PolarHBondContact O-N 3.29Å; T422-M426 VanDerWaalsContact O-N 3.08Å; T422-V485 HydrophobicContact CG2-CG1 4.38Å |
| 423 | I | 97.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.6 | -47.2 | 176.2 | -68.4 | 177.9 | 0 | 0 | 0 | 110.2 | Y340 F341 V344 I357 E417 W420 R425 M426 T427 | Y340-I423 HydrophobicContact CE1-CD1 3.98Å; F341-I423 HydrophobicContact CD2-CG1 4Å; V344-I423 HydrophobicContact CB-CD1 4.47Å; V344-I423 HydrophobicContact CG1-CD1 4.14Å; V344-I423 HydrophobicContact CG1-CG1 3.99Å; V344-I423 HydrophobicContact CG1-CG2 4.2Å; V344-I423 HydrophobicContact CG2-CD1 4.47Å; I357-I423 HydrophobicContact CD1-CG2 3.95Å; E417-I423 HydrophobicContact CB-CD1 4.21Å; E417-I423 VanDerWaalsContact O-CD1 3.28Å; E417-I423 WeakPolarHBondContact O-CD1 3.42Å; W420-I423 HydrophobicContact CB-CB 4.31Å; W420-I423 HydrophobicContact CB-CD1 4.33Å; W420-I423 HydrophobicContact CB-CG1 4.34Å; W420-I423 HydrophobicContact CD2-CD1 4.36Å; W420-I423 HydrophobicContact CE3-CD1 3.9Å; W420-I423 PolarHBondContact O-N 3.19Å; I423-R425 VanDerWaalsContact C-N 3.3Å; I423-R425 PolarHBondContact O-N 3.06Å; I423-M426 CarbonylContact O-C 3.42Å; I423-M426 WeakPolarHBondContact O-CA 3.3Å; I423-M426 PolarHBondContact O-N 3.07Å; I423-T427 WeakPolarHBondContact O-CG2 3.02Å; I423-T427 PolarHBondContact O-N 2.77Å |
| 424 | R | 96.8 | Very high | 97.7 | Very high | 86 Ų | 86 | 23.2 Ų | 23.2 | 33% | 0.325 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -50.3 | -51.4 | 175.1 | -174.5 | -174.3 | 173.6 | -156.2 | -3.9 | 111.3 | Y55 T59 W420 S421 M426 T427 L428 | Y55-R424 HydrophobicContact CE2-CG 4.47Å; Y55-R424 WeakPolarHBondContact OH-CB 3.38Å; Y55-R424 VanDerWaalsContact OH-CD 3.3Å; Y55-R424 WeakPolarHBondContact OH-CD 3.03Å; Y55-R424 WeakPolarHBondContact OH-CG 3.32Å; T59-R424 HydrophobicContact CG2-CG 4.14Å; W420-R424 PolarHBondContact O-N 3.41Å; S421-R424 PolarHBondContact O-N 3.07Å; R424-M426 VanDerWaalsContact C-N 3.29Å; R424-M426 PolarHBondContact O-N 2.8Å; R424-T427 PolarHBondContact O-N 2.74Å; R424-T427 VanDerWaalsContact O-N 3.11Å; R424-T427 PolarHBondContact O-OG1 3.42Å; R424-L428 PolarHBondContact O-N 3.08Å |
| 425 | R | 96.1 | Very high | 97.6 | Very high | 43 Ų | 43 | 30.7 Ų | 30.7 | 16% | 0.162 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65 | -34.1 | -178.9 | -62.9 | -62.1 | -62.5 | 179.8 | 11.8 | 112.1 | S421 T422 I423 L428 F429 M484 E488 | S421-R425 WeakPolarHBondContact O-CG 3.46Å; S421-R425 PolarHBondContact O-N 2.87Å; T422-R425 PolarHBondContact O-N 2.67Å; I423-R425 VanDerWaalsContact C-N 3.3Å; I423-R425 PolarHBondContact O-N 3.06Å; R425-L428 WeakPolarHBondContact O-CB 3.47Å; R425-L428 PolarHBondContact O-N 2.9Å; R425-F429 PolarHBondContact O-N 3.45Å; R425-M484 HydrophobicContact CB-CB 4.48Å; R425-M484 WeakPolarHBondContact CB-O 3.16Å; R425-M484 VanDerWaalsContact CG-O 3.23Å; R425-M484 WeakPolarHBondContact CG-O 3.49Å; R425-E488 IonicContact CZ-OE2 2.93Å; R425-E488 IonicContact NH1-OE2 3.7Å; R425-E488 PolarHBondContact NH1-OE2 3.07Å |
| 426 | M | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.9 | -28.6 | 173.7 | -72 | -54.6 | -55.3 | 0 | 0 | 113.3 | F341 A345 L348 A349 T422 I423 R424 L428 F429 R430 F458 V485 A518 | F341-M426 HydrophobicContact CE2-CG 3.91Å; F341-M426 HydrophobicContact CZ-CG 4.23Å; A345-M426 HydrophobicContact CB-CE 4.3Å; A345-M426 HydrophobicContact CB-CG 3.97Å; A345-M426 HydrophobicContact CB-SD 4.4Å; A345-M426 WeakPolarHBondContact O-CE 3.4Å; L348-M426 HydrophobicContact CB-CB 4.23Å; L348-M426 HydrophobicContact CB-CE 4.48Å; L348-M426 HydrophobicContact CD1-CB 3.57Å; A349-M426 HydrophobicContact CB-CE 4.09Å; T422-M426 WeakPolarHBondContact O-CG 3.3Å; T422-M426 PolarHBondContact O-N 3.29Å; T422-M426 VanDerWaalsContact O-N 3.08Å; I423-M426 CarbonylContact O-C 3.42Å; I423-M426 WeakPolarHBondContact O-CA 3.3Å; I423-M426 PolarHBondContact O-N 3.07Å; R424-M426 VanDerWaalsContact C-N 3.29Å; R424-M426 PolarHBondContact O-N 2.8Å; M426-L428 VanDerWaalsContact C-N 3.34Å; M426-F429 HydrophobicContact CE-CB 4.17Å; M426-F429 HydrophobicContact CE-CD1 3.64Å; M426-F429 HydrophobicContact CE-CE1 4.34Å; M426-F429 HydrophobicContact CE-CG 4.08Å; M426-F429 PolarHBondContact O-N 2.94Å; M426-F429 HydrophobicContact SD-CB 4.32Å; M426-R430 WeakPolarHBondContact O-CB 3.41Å; M426-R430 PolarHBondContact O-N 3.3Å; M426-F458 HydrophobicContact CE-CD2 4Å; M426-F458 HydrophobicContact CE-CE2 3.89Å; M426-V485 HydrophobicContact SD-CG2 3.93Å; M426-A518 HydrophobicContact CE-CB 4.14Å; M426-A518 HydrophobicContact SD-CB 3.64Å |
| 427 | T | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.7 | -38.6 | 170.3 | 72.8 | 0 | 0 | 0 | 0 | 111.6 | V36 G60 I61 L348 I357 I423 R424 R430 S431 | V36-T427 HydrophobicContact CG1-CG2 4.38Å; G60-T427 PolarHBondContact N-OG1 2.68Å; I61-T427 HydrophobicContact CD1-CG2 4.32Å; I61-T427 HydrophobicContact CG1-CG2 4.12Å; L348-T427 HydrophobicContact CD1-CG2 4.19Å; I357-T427 HydrophobicContact CD1-CG2 4.36Å; I423-T427 WeakPolarHBondContact O-CG2 3.02Å; I423-T427 PolarHBondContact O-N 2.77Å; R424-T427 PolarHBondContact O-N 2.74Å; R424-T427 VanDerWaalsContact O-N 3.11Å; R424-T427 PolarHBondContact O-OG1 3.42Å; T427-R430 WeakPolarHBondContact O-CB 3.32Å; T427-R430 PolarHBondContact O-N 3.13Å; T427-S431 PolarHBondContact O-N 2.65Å |
| 428 | L | 98.1 | Very high | 97.6 | Very high | 43 Ų | 43 | 38.9 Ų | 38.9 | 23% | 0.225 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.9 | -40.5 | 173.8 | -65.2 | 171.8 | 0 | 0 | 0 | 111.2 | R424 R425 M426 R430 S431 E432 M484 | R424-L428 PolarHBondContact O-N 3.08Å; R425-L428 WeakPolarHBondContact O-CB 3.47Å; R425-L428 PolarHBondContact O-N 2.9Å; M426-L428 VanDerWaalsContact C-N 3.34Å; L428-R430 VanDerWaalsContact C-N 3.33Å; L428-R430 PolarHBondContact O-N 3.15Å; L428-S431 WeakPolarHBondContact O-CB 3.23Å; L428-S431 PolarHBondContact O-N 3.37Å; L428-E432 WeakPolarHBondContact O-CG 3.15Å; L428-E432 PolarHBondContact O-N 2.05Å; L428-M484 HydrophobicContact CB-CE 3.89Å |
| 429 | F | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.9 | -46.8 | 172.7 | 177.3 | -96.1 | 0 | 0 | 0 | 111.3 | A349 R425 M426 S431 E432 V433 F458 M484 A518 I519 | A349-F429 HydrophobicContact CB-CD1 4.31Å; A349-F429 HydrophobicContact CB-CE1 3.78Å; R425-F429 PolarHBondContact O-N 3.45Å; M426-F429 HydrophobicContact CE-CB 4.17Å; M426-F429 HydrophobicContact CE-CD1 3.64Å; M426-F429 HydrophobicContact CE-CE1 4.34Å; M426-F429 HydrophobicContact CE-CG 4.08Å; M426-F429 PolarHBondContact O-N 2.94Å; M426-F429 HydrophobicContact SD-CB 4.32Å; F429-S431 VanDerWaalsContact C-N 3.29Å; F429-S431 PolarHBondContact O-N 2.86Å; F429-E432 PolarHBondContact O-N 3.35Å; F429-V433 HydrophobicContact CD1-CG1 4.5Å; F429-V433 HydrophobicContact CD1-CG2 4.24Å; F429-V433 HydrophobicContact CD2-CG1 4.36Å; F429-V433 HydrophobicContact CE1-CG1 4.07Å; F429-V433 HydrophobicContact CE1-CG2 4.01Å; F429-V433 HydrophobicContact CE2-CG1 3.92Å; F429-V433 HydrophobicContact CZ-CG1 3.77Å; F429-V433 WeakPolarHBondContact O-CG1 3.07Å; F429-V433 VanDerWaalsContact O-CG2 3.3Å; F429-V433 WeakPolarHBondContact O-CG2 3.45Å; F429-V433 PolarHBondContact O-N 3.48Å; F429-V433 VanDerWaalsContact O-N 3.1Å; F429-F458 HydrophobicContact CE1-CB 4.38Å; F429-F458 HydrophobicContact CZ-CB 4.11Å; F429-M484 HydrophobicContact CB-CE 4.11Å; F429-M484 HydrophobicContact CB-SD 4.01Å; F429-M484 HydrophobicContact CD2-SD 3.94Å; F429-M484 HydrophobicContact CG-SD 4.49Å; F429-A518 HydrophobicContact CD2-CB 3.77Å; F429-A518 HydrophobicContact CE2-CB 3.98Å; F429-A518 HydrophobicContact CG-CB 4.05Å; F429-A518 HydrophobicContact CZ-CB 4.45Å; F429-I519 WeakPolarHBondContact CE2-O 3.4Å |
| 430 | R | 98.5 | Very high | 97.6 | Very high | 24 Ų | 24 | 43.7 Ų | 43.7 | 9% | 0.091 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.5 | -43.7 | 177.1 | -174.3 | -81.7 | -166.5 | -16.8 | 11.2 | 111.6 | S35 V36 L348 P355 M426 T427 L428 V433 A434 | S35-R430 VanDerWaalsContact CB-NH2 3.27Å; S35-R430 PolarHBondContact O-NH2 3.21Å; S35-R430 PolarHBondContact OG-NE 3.05Å; S35-R430 PolarHBondContact OG-NH2 2.99Å; V36-R430 HydrophobicContact CG2-CB 4.3Å; V36-R430 HydrophobicContact CG2-CG 3.87Å; L348-R430 HydrophobicContact CB-CB 4.36Å; L348-R430 HydrophobicContact CD2-CG 4.4Å; L348-R430 WeakPolarHBondContact O-CB 3.42Å; L348-R430 WeakPolarHBondContact O-CG 3.36Å; P355-R430 VanDerWaalsContact CD-CZ 3.44Å; P355-R430 VanDerWaalsContact CD-NH1 3.29Å; M426-R430 WeakPolarHBondContact O-CB 3.41Å; M426-R430 PolarHBondContact O-N 3.3Å; T427-R430 WeakPolarHBondContact O-CB 3.32Å; T427-R430 PolarHBondContact O-N 3.13Å; L428-R430 VanDerWaalsContact C-N 3.33Å; L428-R430 PolarHBondContact O-N 3.15Å; R430-V433 PolarHBondContact O-N 3Å; R430-A434 PolarHBondContact O-N 2.9Å |
| 431 | S | 98.3 | Very high | 97.6 | Very high | 23 Ų | 23 | 45.2 Ų | 45.2 | 16% | 0.161 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.6 | -51.6 | 175.9 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | D33 T427 L428 F429 V433 A434 | D33-S431 VanDerWaalsContact O-CA 3.24Å; D33-S431 WeakPolarHBondContact O-CA 3.11Å; D33-S431 WeakPolarHBondContact O-CB 3.3Å; D33-S431 PolarHBondContact O-OG 3.14Å; T427-S431 PolarHBondContact O-N 2.65Å; L428-S431 WeakPolarHBondContact O-CB 3.23Å; L428-S431 PolarHBondContact O-N 3.37Å; F429-S431 VanDerWaalsContact C-N 3.29Å; F429-S431 PolarHBondContact O-N 2.86Å; S431-V433 PolarHBondContact O-N 3.38Å; S431-A434 VanDerWaalsContact O-CB 3.27Å; S431-A434 WeakPolarHBondContact O-CB 3.48Å; S431-A434 PolarHBondContact O-N 3Å; S431-A434 VanDerWaalsContact O-N 3.16Å |
| 432 | E | 98.3 | Very high | 97.8 | Very high | 72 Ų | 72 | 44.7 Ų | 44.7 | 34% | 0.336 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.8 | -31.6 | 179.8 | -70.4 | -69.3 | 139 | 0 | 0 | 113.9 | L428 F429 S455 T521 A522 | L428-E432 WeakPolarHBondContact O-CG 3.15Å; L428-E432 PolarHBondContact O-N 2.05Å; F429-E432 PolarHBondContact O-N 3.35Å; E432-S455 WeakPolarHBondContact O-CB 3.37Å; E432-T521 PolarHBondContact OE2-OG1 3.19Å; E432-A522 HydrophobicContact CG-CB 3.86Å; E432-A522 WeakPolarHBondContact OE1-CB 3.24Å; E432-A522 VanDerWaalsContact OE2-CB 3.25Å; E432-A522 WeakPolarHBondContact OE2-CB 3.5Å; E432-A522 PolarHBondContact OE2-N 2.96Å |
| 433 | V | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 12.2 | -177.5 | -55.2 | 0 | 0 | 0 | 0 | 113.5 | F429 R430 S431 E435 Q436 R452 | F429-V433 HydrophobicContact CD1-CG1 4.5Å; F429-V433 HydrophobicContact CD1-CG2 4.24Å; F429-V433 HydrophobicContact CD2-CG1 4.36Å; F429-V433 HydrophobicContact CE1-CG1 4.07Å; F429-V433 HydrophobicContact CE1-CG2 4.01Å; F429-V433 HydrophobicContact CE2-CG1 3.92Å; F429-V433 HydrophobicContact CZ-CG1 3.77Å; F429-V433 WeakPolarHBondContact O-CG1 3.07Å; F429-V433 VanDerWaalsContact O-CG2 3.3Å; F429-V433 WeakPolarHBondContact O-CG2 3.45Å; F429-V433 PolarHBondContact O-N 3.48Å; F429-V433 VanDerWaalsContact O-N 3.1Å; R430-V433 PolarHBondContact O-N 3Å; S431-V433 PolarHBondContact O-N 3.38Å; V433-E435 PolarHBondContact O-N 3.2Å; V433-Q436 WeakPolarHBondContact O-CB 3.49Å; V433-Q436 PolarHBondContact O-N 3.48Å; V433-Q436 VanDerWaalsContact O-N 3.16Å; V433-R452 HydrophobicContact CB-CB 3.57Å; V433-R452 HydrophobicContact CB-CG 3.99Å; V433-R452 HydrophobicContact CG1-CB 3.71Å; V433-R452 HydrophobicContact CG1-CG 4.23Å; V433-R452 HydrophobicContact CG2-CB 4.18Å; V433-R452 HydrophobicContact CG2-CG 4.04Å; V433-R452 PolarHBondContact O-NH2 2.92Å |
| 434 | A | 97.8 | Very high | 97.9 | Very high | 19 Ų | 19 | 47.3 Ų | 47.3 | 16% | 0.157 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 140.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D33 R430 S431 Q436 | D33-A434 HydrophobicContact CB-CB 4.04Å; R430-A434 PolarHBondContact O-N 2.9Å; S431-A434 VanDerWaalsContact O-CB 3.27Å; S431-A434 WeakPolarHBondContact O-CB 3.48Å; S431-A434 PolarHBondContact O-N 3Å; S431-A434 VanDerWaalsContact O-N 3.16Å; A434-Q436 PolarHBondContact O-N 3.2Å |
| 435 | E | 95.5 | Very high | 97.9 | Very high | 157 Ų | 157 | 47.3 Ų | 47.3 | 73% | 0.734 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60 | 6.3 | 179 | -53.3 | 178.2 | 157 | 0 | 0 | 115.4 | S32 V433 | S32-E435 WeakPolarHBondContact CB-OE1 3.14Å; S32-E435 VanDerWaalsContact OG-CD 3.23Å; S32-E435 PolarHBondContact OG-OE1 3.32Å; V433-E435 PolarHBondContact O-N 3.2Å |
| 436 | Q | 98.1 | Very high | 98 | Very high | 58 Ų | 58 | 46.1 Ų | 46.1 | 27% | 0.271 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -86.7 | 136.9 | 177.9 | -60.8 | -54.2 | -63.6 | 0 | 0 | 112.2 | V433 A434 R452 S455 | V433-Q436 WeakPolarHBondContact O-CB 3.49Å; V433-Q436 PolarHBondContact O-N 3.48Å; V433-Q436 VanDerWaalsContact O-N 3.16Å; A434-Q436 PolarHBondContact O-N 3.2Å; Q436-R452 HydrophobicContact CB-CB 4.08Å; Q436-R452 WeakPolarHBondContact CB-O 3.23Å; Q436-R452 VanDerWaalsContact O-CZ 3.3Å; Q436-R452 PolarHBondContact O-NE 2.96Å; Q436-R452 PolarHBondContact O-NH2 3.38Å; Q436-S455 WeakPolarHBondContact CG-OG 3.36Å |
| 437 | P | 97.5 | Very high | 98 | Very high | 75 Ų | 75 | 47.2 Ų | 47.2 | 49% | 0.487 | 25% | 0.25 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 162.3 | 176.2 | 32.6 | -36.2 | 0 | 0 | 0 | 111.9 | T439 R452 G453 | P437-T439 HydrophobicContact CG-CG2 4.3Å; P437-R452 CarbonylContact O-C 3.52Å; P437-R452 WeakPolarHBondContact O-CA 3.2Å; P437-G453 PolarHBondContact O-N 3.47Å |
| 438 | V | 98.5 | Very high | 98 | Very high | 45 Ų | 45 | 47.2 Ų | 47.2 | 27% | 0.273 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 125.5 | 167.1 | 179.1 | 0 | 0 | 0 | 0 | 109.3 | W350 P351 M441 F450 S451 | W350-V438 HydrophobicContact CE3-CG2 4.1Å; W350-V438 HydrophobicContact CH2-CG1 4.27Å; W350-V438 HydrophobicContact CH2-CG2 4.02Å; W350-V438 HydrophobicContact CZ3-CG1 4.01Å; W350-V438 HydrophobicContact CZ3-CG2 3.75Å; P351-V438 HydrophobicContact CG-CG2 3.56Å; V438-M441 HydrophobicContact CG1-CB 4.35Å; V438-M441 HydrophobicContact CG1-SD 4.36Å; V438-F450 HydrophobicContact CG1-CB 3.75Å; V438-F450 HydrophobicContact CG1-CD2 4.22Å; V438-F450 HydrophobicContact CG1-CG 4.06Å; V438-F450 HydrophobicContact CG2-CD2 4.43Å; V438-S451 WeakPolarHBondContact CA-O 3.19Å |
| 439 | T | 98.4 | Very high | 98 | Very high | 51 Ų | 51 | 45.2 Ų | 45.2 | 31% | 0.313 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 168.6 | 173.1 | 66.2 | 0 | 0 | 0 | 0 | 110.8 | P437 M441 S451 | P437-T439 HydrophobicContact CG-CG2 4.3Å; T439-M441 PolarHBondContact O-N 3.42Å; T439-M441 VanDerWaalsContact O-N 3.08Å; T439-S451 PolarHBondContact N-O 2.71Å; T439-S451 PolarHBondContact O-N 2.69Å; T439-S451 WeakPolarHBondContact OG1-CB 3.4Å |
| 440 | D | 97.8 | Very high | 98 | Very high | 68 Ų | 68 | 45.2 Ų | 45.2 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.9 | 34.5 | 172.4 | -49.6 | -68.5 | 0 | 0 | 0 | 114.2 | S451 Q473 | D440-S451 PolarHBondContact OD2-OG 2.71Å; D440-Q473 HydrophobicContact CB-CB 4.16Å; D440-Q473 HydrophobicContact CB-CG 4.25Å; D440-Q473 WeakPolarHBondContact OD1-CG 3.5Å |
| 441 | M | 98.2 | Very high | 98 | Very high | 82 Ų | 82 | 44 Ų | 44 | 40% | 0.404 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 137.8 | -174 | -176.8 | 175.2 | 63.8 | 0 | 0 | 111.9 | G298 W350 V438 T439 T443 I448 A449 F450 | G298-M441 WeakPolarHBondContact CA-SD 3.42Å; W350-M441 HydrophobicContact CH2-SD 4.41Å; V438-M441 HydrophobicContact CG1-CB 4.35Å; V438-M441 HydrophobicContact CG1-SD 4.36Å; T439-M441 PolarHBondContact O-N 3.42Å; T439-M441 VanDerWaalsContact O-N 3.08Å; M441-T443 HydrophobicContact CG-CG2 4.45Å; M441-I448 HydrophobicContact SD-CD1 4.26Å; M441-A449 CarbonylContact C-O 3.33Å; M441-A449 VanDerWaalsContact CA-O 3.32Å; M441-A449 WeakPolarHBondContact CA-O 3.46Å; M441-F450 HydrophobicContact CB-CB 4.08Å; M441-F450 HydrophobicContact CG-CB 4.19Å |
| 442 | I | 98.1 | Very high | 98 | Very high | 51 Ų | 51 | 43.4 Ų | 43.4 | 26% | 0.262 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 136.8 | 169.1 | -176.6 | 172.1 | 0 | 0 | 0 | 109.6 | I448 A449 W468 V472 | I442-I448 WeakPolarHBondContact O-CA 3.49Å; I442-A449 HydrophobicContact CG2-CB 3.86Å; I442-A449 PolarHBondContact N-O 2.88Å; I442-A449 PolarHBondContact O-N 3.45Å; I442-W468 HydrophobicContact CG1-CZ2 4.49Å; I442-W468 HydrophobicContact CG2-CH2 4.02Å; I442-W468 HydrophobicContact CG2-CZ2 4.13Å; I442-V472 HydrophobicContact CD1-CG1 4.45Å; I442-V472 HydrophobicContact CG2-CG1 3.95Å |
| 443 | T | 98 | Very high | 98 | Very high | 56 Ų | 56 | 40.4 Ų | 40.4 | 34% | 0.344 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 140.6 | 175.7 | 51.5 | 0 | 0 | 0 | 0 | 110.7 | M295 M441 R447 I448 | M295-T443 WeakPolarHBondContact O-CB 3.47Å; M295-T443 PolarHBondContact O-OG1 3.02Å; M441-T443 HydrophobicContact CG-CG2 4.45Å; T443-R447 WeakPolarHBondContact CA-O 3.43Å; T443-I448 HydrophobicContact CG2-CB 4.26Å; T443-I448 HydrophobicContact CG2-CD1 3.86Å; T443-I448 HydrophobicContact CG2-CG1 3.82Å |
| 444 | E | 97.3 | Very high | 98 | Very high | 40 Ų | 40 | 50.2 Ų | 50.2 | 19% | 0.187 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 174.7 | 172.1 | -69.3 | -179 | -153.3 | 0 | 0 | 108.6 | M295 N446 R447 W468 R470 | M295-E444 VanDerWaalsContact CB-O 3.23Å; M295-E444 WeakPolarHBondContact CB-O 3.45Å; E444-N446 PolarHBondContact O-N 3.01Å; E444-R447 HydrophobicContact CB-CB 4.06Å; E444-R447 PolarHBondContact N-O 3.45Å; E444-R447 PolarHBondContact O-N 2.89Å; E444-R447 IonicContact OE2-NH1 2.78Å; E444-W468 VanDerWaalsContact CD-NE1 3.32Å; E444-W468 HydrophobicContact CG-CZ2 4.43Å; E444-W468 PolarHBondContact OE1-NE1 2.7Å; E444-W468 PolarHBondContact OE2-NE1 2.77Å; E444-R470 IonicContact OE1-CZ 2.71Å; E444-R470 IonicContact OE1-NE 3.78Å; E444-R470 PolarHBondContact OE1-NE 3.49Å; E444-R470 IonicContact OE1-NH2 2.93Å; E444-R470 PolarHBondContact OE1-NH2 3.29Å; E444-R470 IonicContact OE2-CZ 3.83Å; E444-R470 IonicContact OE2-NE 3.08Å; E444-R470 IonicContact OE2-NH2 2.74Å; E444-R470 PolarHBondContact OE2-NH2 3.42Å |
| 445 | D | 97.5 | Very high | 98 | Very high | 86 Ų | 86 | 50.4 Ų | 50.4 | 46% | 0.46 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 116.3 | 176 | -178.1 | 28.5 | 0 | 0 | 0 | 111.6 | N293 R447 | N293-D445 PolarHBondContact ND2-OD1 2.93Å; D445-R447 PolarHBondContact O-N 3.16Å |
| 446 | N | 97.9 | Very high | 98.2 | Very high | 18 Ų | 18 | 42.9 Ų | 42.9 | 10% | 0.096 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 28.5 | -176.5 | -75 | -81.6 | 0 | 0 | 0 | 115.1 | H290 N293 E444 N462 D463 | H290-N446 PolarHBondContact ND1-OD1 3.07Å; N293-N446 WeakPolarHBondContact OD1-CA 3.34Å; N293-N446 PolarHBondContact OD1-N 3.35Å; E444-N446 PolarHBondContact O-N 3.01Å; N446-N462 HydrophobicContact CB-CB 4.26Å; N446-N462 WeakPolarHBondContact O-CA 3.17Å; N446-N462 WeakPolarHBondContact O-CB 3.48Å; N446-N462 PolarHBondContact O-N 2.82Å; N446-D463 PolarHBondContact O-N 2.75Å |
| 447 | R | 98.1 | Very high | 98.2 | Very high | 24 Ų | 24 | 40.2 Ų | 40.2 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 142.1 | -175.7 | -73.4 | 160.3 | -178.3 | 150.1 | 13 | 111.7 | T443 E444 D445 L460 N461 D463 Y466 W468 | T443-R447 WeakPolarHBondContact CA-O 3.43Å; E444-R447 HydrophobicContact CB-CB 4.06Å; E444-R447 PolarHBondContact N-O 3.45Å; E444-R447 PolarHBondContact O-N 2.89Å; E444-R447 IonicContact OE2-NH1 2.78Å; D445-R447 PolarHBondContact O-N 3.16Å; R447-L460 WeakPolarHBondContact CA-O 3.48Å; R447-N461 HydrophobicContact CG-CB 4.32Å; R447-N461 WeakPolarHBondContact CG-OD1 3.42Å; R447-N461 PolarHBondContact NE-OD1 2.88Å; R447-D463 IonicContact CZ-OD2 2.78Å; R447-D463 VanDerWaalsContact NH2-CB 3.34Å; R447-D463 IonicContact NH2-OD2 2.68Å; R447-D463 PolarHBondContact NH2-OD2 3.28Å; R447-Y466 PolarHBondContact NH2-O 2.85Å; R447-Y466 VanDerWaalsContact NH2-O 3.14Å; R447-W468 HydrophobicContact CB-CD2 4.04Å; R447-W468 HydrophobicContact CB-CE3 3.92Å; R447-W468 HydrophobicContact CB-CH2 3.91Å; R447-W468 HydrophobicContact CB-CZ2 4.01Å; R447-W468 HydrophobicContact CB-CZ3 3.85Å; R447-W468 HydrophobicContact CG-CD2 3.91Å; R447-W468 HydrophobicContact CG-CE3 3.95Å; R447-W468 HydrophobicContact CG-CG 4.23Å; R447-W468 HydrophobicContact CG-CZ3 4.39Å |
| 448 | I | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 138.6 | 174.2 | -174.3 | 164.3 | 0 | 0 | 0 | 109.9 | F294 F346 M441 I442 T443 F450 L460 | F294-I448 HydrophobicContact CB-CG2 4.26Å; F294-I448 HydrophobicContact CD1-CG2 4.03Å; F294-I448 HydrophobicContact CG-CG2 4.44Å; F346-I448 HydrophobicContact CD2-CG2 4.33Å; F346-I448 HydrophobicContact CE2-CD1 4.29Å; F346-I448 HydrophobicContact CE2-CG2 3.98Å; M441-I448 HydrophobicContact SD-CD1 4.26Å; I442-I448 WeakPolarHBondContact O-CA 3.49Å; T443-I448 HydrophobicContact CG2-CB 4.26Å; T443-I448 HydrophobicContact CG2-CD1 3.86Å; T443-I448 HydrophobicContact CG2-CG1 3.82Å; I448-F450 HydrophobicContact CD1-CD1 4.32Å; I448-F450 HydrophobicContact CG1-CD1 4.05Å; I448-F450 HydrophobicContact CG1-CE1 4.47Å; I448-L460 HydrophobicContact CG2-CB 4.15Å; I448-L460 HydrophobicContact CG2-CD2 4.42Å; I448-L460 PolarHBondContact N-O 2.67Å; I448-L460 VanDerWaalsContact N-O 3.08Å; I448-L460 PolarHBondContact O-N 3.36Å |
| 449 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 146.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110 | M441 I442 F457 F458 A459 W468 L509 | M441-A449 CarbonylContact C-O 3.33Å; M441-A449 VanDerWaalsContact CA-O 3.32Å; M441-A449 WeakPolarHBondContact CA-O 3.46Å; I442-A449 HydrophobicContact CG2-CB 3.86Å; I442-A449 PolarHBondContact N-O 2.88Å; I442-A449 PolarHBondContact O-N 3.45Å; A449-F457 HydrophobicContact CB-CE2 4.17Å; A449-F457 HydrophobicContact CB-CZ 3.76Å; A449-F458 CarbonylContact C-O 3.54Å; A449-F458 WeakPolarHBondContact CA-O 3.42Å; A449-F458 WeakPolarHBondContact CB-O 3.1Å; A449-A459 HydrophobicContact CB-CB 3.7Å; A449-W468 HydrophobicContact CB-CH2 3.72Å; A449-W468 HydrophobicContact CB-CZ3 3.85Å; A449-L509 HydrophobicContact CB-CD2 4.27Å |
| 450 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 155.5 | -179.5 | 54.5 | -93.3 | 0 | 0 | 0 | 111.5 | F346 A349 W350 V438 M441 I448 R452 F457 F458 | F346-F450 HydrophobicContact CE2-CE1 4.21Å; A349-F450 HydrophobicContact CB-CE2 4.33Å; A349-F450 HydrophobicContact CB-CZ 3.97Å; A349-F450 WeakPolarHBondContact O-CE2 3.44Å; W350-F450 HydrophobicContact CE3-CD1 4.23Å; W350-F450 AromaticContact CE3-CE1 3.72Å; W350-F450 HydrophobicContact CE3-CE1 3.72Å; W350-F450 HydrophobicContact CE3-CE2 4.23Å; W350-F450 AromaticContact CE3-CZ 3.72Å; W350-F450 HydrophobicContact CE3-CZ 3.72Å; W350-F450 HydrophobicContact CZ3-CD1 4.06Å; W350-F450 HydrophobicContact CZ3-CE1 4.01Å; W350-F450 HydrophobicContact CZ3-CG 4.44Å; W350-F450 HydrophobicContact CZ3-CZ 4.34Å; V438-F450 HydrophobicContact CG1-CB 3.75Å; V438-F450 HydrophobicContact CG1-CD2 4.22Å; V438-F450 HydrophobicContact CG1-CG 4.06Å; V438-F450 HydrophobicContact CG2-CD2 4.43Å; M441-F450 HydrophobicContact CB-CB 4.08Å; M441-F450 HydrophobicContact CG-CB 4.19Å; I448-F450 HydrophobicContact CD1-CD1 4.32Å; I448-F450 HydrophobicContact CG1-CD1 4.05Å; I448-F450 HydrophobicContact CG1-CE1 4.47Å; F450-R452 HydrophobicContact CD2-CG 4.26Å; F450-R452 HydrophobicContact CE2-CG 4.06Å; F450-F457 VanDerWaalsContact O-CD2 3.32Å; F450-F457 WeakPolarHBondContact O-CD2 3.43Å; F450-F458 HydrophobicContact CD1-CD1 4.4Å; F450-F458 HydrophobicContact CD2-CB 4.45Å; F450-F458 HydrophobicContact CE1-CB 4.49Å; F450-F458 AromaticContact CE1-CD1 3.58Å; F450-F458 HydrophobicContact CE1-CD1 3.58Å; F450-F458 HydrophobicContact CE1-CE1 4.25Å; F450-F458 HydrophobicContact CE1-CG 4.4Å; F450-F458 HydrophobicContact CE2-CB 3.95Å; F450-F458 HydrophobicContact CE2-CD1 4.4Å; F450-F458 HydrophobicContact CE2-CG 4.48Å; F450-F458 HydrophobicContact CZ-CB 3.97Å; F450-F458 AromaticContact CZ-CD1 3.57Å; F450-F458 HydrophobicContact CZ-CD1 3.57Å; F450-F458 HydrophobicContact CZ-CE1 4.35Å; F450-F458 HydrophobicContact CZ-CG 4.01Å; F450-F458 PolarHBondContact N-O 3.13Å; F450-F458 PolarHBondContact O-N 3.49Å |
| 451 | S | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 150.3 | 166.5 | -60.6 | 0 | 0 | 0 | 0 | 110.6 | V438 T439 D440 G456 T474 G475 | V438-S451 WeakPolarHBondContact CA-O 3.19Å; T439-S451 PolarHBondContact N-O 2.71Å; T439-S451 PolarHBondContact O-N 2.69Å; T439-S451 WeakPolarHBondContact OG1-CB 3.4Å; D440-S451 PolarHBondContact OD2-OG 2.71Å; S451-G456 CarbonylContact C-O 3.04Å; S451-G456 WeakPolarHBondContact CA-O 3.45Å; S451-T474 VanDerWaalsContact OG-CA 3.28Å; S451-T474 WeakPolarHBondContact OG-CA 3.46Å; S451-G475 PolarHBondContact OG-N 3.21Å |
| 452 | R | 98.5 | Very high | 98.2 | Very high | 10 Ų | 10 | 24.9 Ų | 24.9 | 4% | 0.038 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 86.2 | 163 | -67.6 | -64.8 | -59 | -75.6 | -10.2 | 107.8 | A349 V433 Q436 P437 F450 R454 S455 G456 | A349-R452 WeakPolarHBondContact O-CD 3.22Å; A349-R452 PolarHBondContact O-NH1 3.28Å; V433-R452 HydrophobicContact CB-CB 3.57Å; V433-R452 HydrophobicContact CB-CG 3.99Å; V433-R452 HydrophobicContact CG1-CB 3.71Å; V433-R452 HydrophobicContact CG1-CG 4.23Å; V433-R452 HydrophobicContact CG2-CB 4.18Å; V433-R452 HydrophobicContact CG2-CG 4.04Å; V433-R452 PolarHBondContact O-NH2 2.92Å; Q436-R452 HydrophobicContact CB-CB 4.08Å; Q436-R452 WeakPolarHBondContact CB-O 3.23Å; Q436-R452 VanDerWaalsContact O-CZ 3.3Å; Q436-R452 PolarHBondContact O-NE 2.96Å; Q436-R452 PolarHBondContact O-NH2 3.38Å; P437-R452 CarbonylContact O-C 3.52Å; P437-R452 WeakPolarHBondContact O-CA 3.2Å; F450-R452 HydrophobicContact CD2-CG 4.26Å; F450-R452 HydrophobicContact CE2-CG 4.06Å; R452-R454 PolarHBondContact O-N 3.18Å; R452-S455 PolarHBondContact O-N 3.39Å; R452-S455 VanDerWaalsContact O-N 3.08Å; R452-G456 PolarHBondContact N-O 3.38Å; R452-G456 PolarHBondContact O-N 2.81Å |
| 453 | G | 97.9 | Very high | 98 | Very high | 8 Ų | 8 | 23.4 Ų | 23.4 | 8% | 0.082 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | -129.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P437 G475 | P437-G453 PolarHBondContact O-N 3.47Å; G453-G475 WeakPolarHBondContact O-CA 3.39Å |
| 454 | R | 98 | Very high | 97.6 | Very high | 206 Ų | 206 | 22.4 Ų | 22.4 | 78% | 0.777 | 11% | 0.113 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 3.9 | 176.8 | -63.1 | -174.7 | 173.4 | 176.8 | -1 | 113.9 | R452 G475 | R452-R454 PolarHBondContact O-N 3.18Å; R454-G475 WeakPolarHBondContact CA-O 3.32Å; R454-G475 WeakPolarHBondContact CG-O 3.45Å |
| 455 | S | 98.3 | Very high | 97.1 | Very high | 23 Ų | 23 | 26.4 Ų | 26.4 | 16% | 0.161 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | -28 | -171.4 | -53.9 | 0 | 0 | 0 | 0 | 113.2 | E432 Q436 R452 S520 T521 | E432-S455 WeakPolarHBondContact O-CB 3.37Å; Q436-S455 WeakPolarHBondContact CG-OG 3.36Å; R452-S455 PolarHBondContact O-N 3.39Å; R452-S455 VanDerWaalsContact O-N 3.08Å; S455-S520 CarbonylContact O-C 3.52Å; S455-S520 WeakPolarHBondContact O-CA 3.44Å; S455-S520 WeakPolarHBondContact O-CB 3.35Å; S455-T521 PolarHBondContact O-N 3.1Å; S455-T521 PolarHBondContact O-OG1 2.91Å |
| 456 | G | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 169.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S451 R452 I519 | S451-G456 CarbonylContact C-O 3.04Å; S451-G456 WeakPolarHBondContact CA-O 3.45Å; R452-G456 PolarHBondContact N-O 3.38Å; R452-G456 PolarHBondContact O-N 2.81Å; G456-I519 CarbonylContact C-O 3.59Å; G456-I519 WeakPolarHBondContact CA-O 3.3Å |
| 457 | F | 98.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 0% | 0.004 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 135.7 | 175.7 | 175 | -97.5 | 0 | 0 | 0 | 109.3 | A449 F450 A459 V472 T474 L476 A518 I519 | A449-F457 HydrophobicContact CB-CE2 4.17Å; A449-F457 HydrophobicContact CB-CZ 3.76Å; F450-F457 VanDerWaalsContact O-CD2 3.32Å; F450-F457 WeakPolarHBondContact O-CD2 3.43Å; F457-A459 HydrophobicContact CE1-CB 4.01Å; F457-A459 HydrophobicContact CZ-CB 4.3Å; F457-V472 HydrophobicContact CE1-CG2 4.33Å; F457-V472 HydrophobicContact CE2-CG2 4.14Å; F457-V472 HydrophobicContact CZ-CG2 3.56Å; F457-T474 HydrophobicContact CB-CG2 4.22Å; F457-T474 HydrophobicContact CD1-CG2 4.19Å; F457-T474 HydrophobicContact CD2-CG2 3.57Å; F457-T474 HydrophobicContact CE1-CG2 4.49Å; F457-T474 HydrophobicContact CE2-CG2 3.91Å; F457-T474 HydrophobicContact CG-CG2 3.72Å; F457-T474 HydrophobicContact CZ-CG2 4.36Å; F457-L476 HydrophobicContact CB-CD1 3.89Å; F457-A518 WeakPolarHBondContact O-CA 3.5Å; F457-I519 HydrophobicContact CB-CD1 4.43Å; F457-I519 HydrophobicContact CB-CG1 3.94Å; F457-I519 HydrophobicContact CD1-CD1 4.46Å; F457-I519 HydrophobicContact CD1-CG1 4.23Å; F457-I519 PolarHBondContact N-O 2.79Å; F457-I519 PolarHBondContact O-N 3.12Å |
| 458 | F | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 140.2 | -178.6 | 178.2 | -92.1 | 0 | 0 | 0 | 110 | A345 F346 A349 M426 F429 A449 F450 L460 V516 A518 | A345-F458 HydrophobicContact CB-CE2 4.17Å; A345-F458 HydrophobicContact CB-CZ 4.44Å; F346-F458 HydrophobicContact CB-CZ 4.38Å; F346-F458 HydrophobicContact CD2-CE1 4.07Å; A349-F458 HydrophobicContact CB-CB 3.97Å; A349-F458 HydrophobicContact CB-CD1 4Å; A349-F458 HydrophobicContact CB-CD2 3.29Å; A349-F458 HydrophobicContact CB-CE1 4.3Å; A349-F458 HydrophobicContact CB-CE2 3.63Å; A349-F458 HydrophobicContact CB-CG 3.48Å; A349-F458 VanDerWaalsContact CB-CG 3.48Å; A349-F458 HydrophobicContact CB-CZ 4.12Å; M426-F458 HydrophobicContact CE-CD2 4Å; M426-F458 HydrophobicContact CE-CE2 3.89Å; F429-F458 HydrophobicContact CE1-CB 4.38Å; F429-F458 HydrophobicContact CZ-CB 4.11Å; A449-F458 CarbonylContact C-O 3.54Å; A449-F458 WeakPolarHBondContact CA-O 3.42Å; A449-F458 WeakPolarHBondContact CB-O 3.1Å; F450-F458 HydrophobicContact CD1-CD1 4.4Å; F450-F458 HydrophobicContact CD2-CB 4.45Å; F450-F458 HydrophobicContact CE1-CB 4.49Å; F450-F458 AromaticContact CE1-CD1 3.58Å; F450-F458 HydrophobicContact CE1-CD1 3.58Å; F450-F458 HydrophobicContact CE1-CE1 4.25Å; F450-F458 HydrophobicContact CE1-CG 4.4Å; F450-F458 HydrophobicContact CE2-CB 3.95Å; F450-F458 HydrophobicContact CE2-CD1 4.4Å; F450-F458 HydrophobicContact CE2-CG 4.48Å; F450-F458 HydrophobicContact CZ-CB 3.97Å; F450-F458 AromaticContact CZ-CD1 3.57Å; F450-F458 HydrophobicContact CZ-CD1 3.57Å; F450-F458 HydrophobicContact CZ-CE1 4.35Å; F450-F458 HydrophobicContact CZ-CG 4.01Å; F450-F458 PolarHBondContact N-O 3.13Å; F450-F458 PolarHBondContact O-N 3.49Å; F458-L460 HydrophobicContact CE1-CB 3.7Å; F458-L460 HydrophobicContact CE1-CD1 4.31Å; F458-L460 HydrophobicContact CZ-CB 4.09Å; F458-L460 HydrophobicContact CZ-CD1 4.27Å; F458-V516 HydrophobicContact CD2-CG1 4.12Å; F458-V516 HydrophobicContact CE2-CG1 3.26Å; F458-V516 HydrophobicContact CZ-CG1 3.52Å; F458-A518 HydrophobicContact CD2-CB 4.21Å |
| 459 | A | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 139.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A449 F457 L509 L511 V516 M517 | A449-A459 HydrophobicContact CB-CB 3.7Å; F457-A459 HydrophobicContact CE1-CB 4.01Å; F457-A459 HydrophobicContact CZ-CB 4.3Å; A459-L509 HydrophobicContact CB-CD1 3.8Å; A459-L509 HydrophobicContact CB-CD2 3.83Å; A459-L509 HydrophobicContact CB-CG 4.49Å; A459-L511 HydrophobicContact CB-CD2 3.96Å; A459-L511 WeakPolarHBondContact O-CD2 3.33Å; A459-V516 CarbonylContact O-C 3.42Å; A459-V516 WeakPolarHBondContact O-CA 3.46Å; A459-M517 PolarHBondContact N-O 3.2Å; A459-M517 PolarHBondContact O-N 2.71Å |
| 460 | L | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 125.7 | 179.4 | 177.4 | 161 | 0 | 0 | 0 | 109 | F294 M342 F346 R447 I448 F458 N462 V516 | F294-L460 HydrophobicContact CD1-CD2 4.16Å; F294-L460 HydrophobicContact CD2-CD2 3.71Å; F294-L460 HydrophobicContact CE1-CD1 3.95Å; F294-L460 HydrophobicContact CE1-CD2 4.23Å; F294-L460 HydrophobicContact CE2-CD1 4.41Å; F294-L460 HydrophobicContact CE2-CD2 3.79Å; F294-L460 HydrophobicContact CG-CD2 3.9Å; F294-L460 HydrophobicContact CZ-CD1 3.89Å; F294-L460 HydrophobicContact CZ-CD2 4.05Å; M342-L460 HydrophobicContact CG-CD1 3.48Å; M342-L460 VanDerWaalsContact CG-CD1 3.48Å; M342-L460 HydrophobicContact CG-CD2 4.49Å; M342-L460 HydrophobicContact CG-CG 3.9Å; M342-L460 HydrophobicContact SD-CD1 4.06Å; M342-L460 HydrophobicContact SD-CD2 4.01Å; M342-L460 HydrophobicContact SD-CG 4Å; F346-L460 HydrophobicContact CB-CD1 4.1Å; F346-L460 HydrophobicContact CD2-CD1 4.16Å; R447-L460 WeakPolarHBondContact CA-O 3.48Å; I448-L460 HydrophobicContact CG2-CB 4.15Å; I448-L460 HydrophobicContact CG2-CD2 4.42Å; I448-L460 PolarHBondContact N-O 2.67Å; I448-L460 VanDerWaalsContact N-O 3.08Å; I448-L460 PolarHBondContact O-N 3.36Å; F458-L460 HydrophobicContact CE1-CB 3.7Å; F458-L460 HydrophobicContact CE1-CD1 4.31Å; F458-L460 HydrophobicContact CZ-CB 4.09Å; F458-L460 HydrophobicContact CZ-CD1 4.27Å; L460-N462 HydrophobicContact CD2-CB 3.79Å; L460-V516 HydrophobicContact CB-CG2 4.37Å; L460-V516 HydrophobicContact CD1-CG2 4.33Å; L460-V516 HydrophobicContact CG-CG2 4.13Å |
| 461 | N | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 97 | 171.7 | -179.3 | 24.1 | 0 | 0 | 0 | 109 | R447 D463 Y466 W468 L511 R512 S513 R514 K515 | R447-N461 HydrophobicContact CG-CB 4.32Å; R447-N461 WeakPolarHBondContact CG-OD1 3.42Å; R447-N461 PolarHBondContact NE-OD1 2.88Å; N461-D463 VanDerWaalsContact C-N 3.35Å; N461-D463 WeakPolarHBondContact OD1-CB 3.25Å; N461-D463 PolarHBondContact OD1-N 2.93Å; N461-Y466 PolarHBondContact ND2-O 2.82Å; N461-W468 HydrophobicContact CB-CB 4.25Å; N461-W468 HydrophobicContact CB-CE3 4.45Å; N461-W468 PolarHBondContact ND2-N 2.9Å; N461-L511 HydrophobicContact CB-CB 4.3Å; N461-L511 HydrophobicContact CB-CD2 3.83Å; N461-L511 HydrophobicContact CB-CG 3.91Å; N461-L511 PolarHBondContact ND2-O 2.93Å; N461-R512 VanDerWaalsContact ND2-C 3.3Å; N461-R512 PolarHBondContact ND2-O 3.23Å; N461-S513 PolarHBondContact ND2-N 3.47Å; N461-R514 CarbonylContact O-C 3.2Å; N461-R514 WeakPolarHBondContact O-CA 3.11Å; N461-R514 PolarHBondContact O-N 3.02Å; N461-K515 PolarHBondContact N-O 3.38Å; N461-K515 PolarHBondContact O-N 3.02Å |
| 462 | N | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -87.4 | -4.9 | 175.5 | -167.5 | 40 | 0 | 0 | 0 | 112.3 | G287 V288 H290 F294 M342 N446 L460 G464 | G287-N462 PolarHBondContact O-ND2 3.17Å; V288-N462 WeakPolarHBondContact CA-ND2 3.12Å; V288-N462 PolarHBondContact O-ND2 2.66Å; V288-N462 PolarHBondContact O-OD1 3.21Å; H290-N462 PolarHBondContact CE1-ND2 2.72Å; H290-N462 PolarHBondContact CE1-O 3.39Å; F294-N462 HydrophobicContact CD2-CB 3.67Å; F294-N462 HydrophobicContact CE2-CB 3.79Å; M342-N462 HydrophobicContact CE-CB 4.37Å; M342-N462 HydrophobicContact SD-CB 3.77Å; M342-N462 PolarHBondContact SD-OD1 3.39Å; N446-N462 HydrophobicContact CB-CB 4.26Å; N446-N462 WeakPolarHBondContact O-CA 3.17Å; N446-N462 WeakPolarHBondContact O-CB 3.48Å; N446-N462 PolarHBondContact O-N 2.82Å; L460-N462 HydrophobicContact CD2-CB 3.79Å; N462-G464 PolarHBondContact O-N 3.35Å; N462-G464 VanDerWaalsContact O-N 3.13Å | ||
| 463 | D | 94.4 | Very high | 95.2 | Very high | 19 Ų | 19 | 40.7 Ų | 40.7 | 10% | 0.102 | 20% | 0.198 | C | C | . | . | trans | -50.6 | 125.4 | 173.5 | -173.4 | -50.3 | 0 | 0 | 0 | 109.5 | N446 R447 N461 K465 Y466 S513 R514 | N446-D463 PolarHBondContact O-N 2.75Å; R447-D463 IonicContact CZ-OD2 2.78Å; R447-D463 VanDerWaalsContact NH2-CB 3.34Å; R447-D463 IonicContact NH2-OD2 2.68Å; R447-D463 PolarHBondContact NH2-OD2 3.28Å; N461-D463 VanDerWaalsContact C-N 3.35Å; N461-D463 WeakPolarHBondContact OD1-CB 3.25Å; N461-D463 PolarHBondContact OD1-N 2.93Å; D463-K465 PolarHBondContact O-N 3.04Å; D463-K465 WeakPolarHBondContact OD1-CA 3.19Å; D463-K465 PolarHBondContact OD1-N 2.88Å; D463-Y466 PolarHBondContact OD1-N 2.79Å; D463-S513 WeakPolarHBondContact O-CA 3.07Å; D463-S513 VanDerWaalsContact O-CB 3.23Å; D463-S513 WeakPolarHBondContact O-CB 3.46Å; D463-S513 PolarHBondContact O-OG 2.98Å; D463-R514 PolarHBondContact O-N 3.32Å | ||
| 464 | G | 89 | Confident | 95.2 | Very high | 36 Ų | 36 | 40.5 Ų | 40.5 | 37% | 0.371 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -78.3 | -2.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | N462 S513 | N462-G464 PolarHBondContact O-N 3.35Å; N462-G464 VanDerWaalsContact O-N 3.13Å; G464-S513 PolarHBondContact O-OG 3.19Å |
| 465 | K | 87.4 | Confident | 95.2 | Very high | 123 Ų | 123 | 31.7 Ų | 31.7 | 54% | 0.535 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -135.3 | -42 | -172 | -172.1 | 175.6 | 178.3 | -161.3 | 0 | 113.4 | D463 S513 L627 | D463-K465 PolarHBondContact O-N 3.04Å; D463-K465 WeakPolarHBondContact OD1-CA 3.19Å; D463-K465 PolarHBondContact OD1-N 2.88Å; K465-S513 PolarHBondContact N-OG 2.8Å; K465-L627 HydrophobicContact CD-CD2 4.43Å |
| 466 | Y | 88.8 | Confident | 95.2 | Very high | 86 Ų | 86 | 31 Ų | 31 | 34% | 0.337 | 16% | 0.163 | S | C | . | . | trans | -110.4 | 134.6 | -168.3 | -56.9 | -74.6 | 0 | 0 | 0 | 112.9 | R447 N461 D463 L627 | R447-Y466 PolarHBondContact NH2-O 2.85Å; R447-Y466 VanDerWaalsContact NH2-O 3.14Å; N461-Y466 PolarHBondContact ND2-O 2.82Å; D463-Y466 PolarHBondContact OD1-N 2.79Å; Y466-L627 HydrophobicContact CD1-CD2 4.17Å; Y466-L627 HydrophobicContact CE1-CD2 3.38Å; Y466-L627 HydrophobicContact CE1-CG 4.43Å | ||
| 467 | S | 89.2 | Confident | 95.1 | Very high | 24 Ų | 24 | 37.8 Ų | 37.8 | 17% | 0.168 | 19% | 0.188 | C | C | . | . | trans | -64.1 | 147.5 | 165.8 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | L511 | S467-L511 CarbonylContact C-O 3.55Å; S467-L511 WeakPolarHBondContact CA-O 3.28Å | ||
| 468 | W | 92.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 114.8 | 175.9 | -164.8 | 20.9 | 0 | 0 | 0 | 109.5 | I442 E444 R447 A449 N461 R470 L509 F510 L511 | I442-W468 HydrophobicContact CG1-CZ2 4.49Å; I442-W468 HydrophobicContact CG2-CH2 4.02Å; I442-W468 HydrophobicContact CG2-CZ2 4.13Å; E444-W468 VanDerWaalsContact CD-NE1 3.32Å; E444-W468 HydrophobicContact CG-CZ2 4.43Å; E444-W468 PolarHBondContact OE1-NE1 2.7Å; E444-W468 PolarHBondContact OE2-NE1 2.77Å; R447-W468 HydrophobicContact CB-CD2 4.04Å; R447-W468 HydrophobicContact CB-CE3 3.92Å; R447-W468 HydrophobicContact CB-CH2 3.91Å; R447-W468 HydrophobicContact CB-CZ2 4.01Å; R447-W468 HydrophobicContact CB-CZ3 3.85Å; R447-W468 HydrophobicContact CG-CD2 3.91Å; R447-W468 HydrophobicContact CG-CE3 3.95Å; R447-W468 HydrophobicContact CG-CG 4.23Å; R447-W468 HydrophobicContact CG-CZ3 4.39Å; A449-W468 HydrophobicContact CB-CH2 3.72Å; A449-W468 HydrophobicContact CB-CZ3 3.85Å; N461-W468 HydrophobicContact CB-CB 4.25Å; N461-W468 HydrophobicContact CB-CE3 4.45Å; N461-W468 PolarHBondContact ND2-N 2.9Å; W468-R470 HydrophobicContact CG-CG 4.48Å; W468-L509 HydrophobicContact CD2-CD2 4.05Å; W468-L509 HydrophobicContact CE3-CD2 3.65Å; W468-L509 HydrophobicContact CH2-CD2 4.27Å; W468-L509 HydrophobicContact CZ3-CD2 3.78Å; W468-L509 VanDerWaalsContact O-O 3.05Å; W468-F510 CarbonylContact O-C 3.55Å; W468-F510 VanDerWaalsContact O-CA 3.26Å; W468-F510 WeakPolarHBondContact O-CA 3.39Å; W468-L511 PolarHBondContact N-O 2.95Å; W468-L511 PolarHBondContact O-N 3.37Å |
| 469 | D | 90.9 | Very high | 94.6 | Very high | 55 Ų | 55 | 41.7 Ų | 41.7 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 106.7 | 175.8 | 174.5 | 26.8 | 0 | 0 | 0 | 109.4 | L509 F510 P633 | D469-L509 CarbonylContact C-O 3.47Å; D469-L509 VanDerWaalsContact CA-O 3.27Å; D469-L509 WeakPolarHBondContact CA-O 3.43Å; D469-F510 HydrophobicContact CB-CD2 4.44Å; D469-P633 HydrophobicContact CB-CB 4.25Å; D469-P633 VanDerWaalsContact CG-CB 3.42Å; D469-P633 WeakPolarHBondContact OD2-CB 3.16Å |
| 470 | R | 93.5 | Very high | 94.4 | Very high | 101 Ų | 101 | 42 Ų | 42 | 38% | 0.381 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 145.6 | -179.1 | -68.8 | -62 | -179.5 | -95.8 | -5.3 | 111.8 | E444 W468 V472 N508 L509 | E444-R470 IonicContact OE1-CZ 2.71Å; E444-R470 IonicContact OE1-NE 3.78Å; E444-R470 PolarHBondContact OE1-NE 3.49Å; E444-R470 IonicContact OE1-NH2 2.93Å; E444-R470 PolarHBondContact OE1-NH2 3.29Å; E444-R470 IonicContact OE2-CZ 3.83Å; E444-R470 IonicContact OE2-NE 3.08Å; E444-R470 IonicContact OE2-NH2 2.74Å; E444-R470 PolarHBondContact OE2-NH2 3.42Å; W468-R470 HydrophobicContact CG-CG 4.48Å; R470-V472 HydrophobicContact CB-CG1 3.79Å; R470-N508 CarbonylContact O-C 3.59Å; R470-L509 PolarHBondContact N-O 2.9Å; R470-L509 WeakPolarHBondContact O-CA 3.25Å; R470-L509 WeakPolarHBondContact O-CB 3.42Å; R470-L509 PolarHBondContact O-N 3.12Å |
| 471 | T | 96.2 | Very high | 94.3 | Very high | 87 Ų | 87 | 42 Ų | 42 | 53% | 0.534 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 120.7 | 158.5 | -57.1 | 0 | 0 | 0 | 0 | 108.5 | T506 V507 N508 | T471-T506 HydrophobicContact CG2-CG2 4.14Å; T471-V507 WeakPolarHBondContact CA-O 3.37Å; T471-N508 PolarHBondContact OG1-OD1 2.85Å; T471-N508 VanDerWaalsContact OG1-OD1 3.07Å |
| 472 | V | 97.6 | Very high | 94.2 | Very high | 7 Ų | 7 | 42.1 Ų | 42.1 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 146.7 | -177.2 | -61.3 | 0 | 0 | 0 | 0 | 110.2 | I442 F457 R470 T506 V507 L509 | I442-V472 HydrophobicContact CD1-CG1 4.45Å; I442-V472 HydrophobicContact CG2-CG1 3.95Å; F457-V472 HydrophobicContact CE1-CG2 4.33Å; F457-V472 HydrophobicContact CE2-CG2 4.14Å; F457-V472 HydrophobicContact CZ-CG2 3.56Å; R470-V472 HydrophobicContact CB-CG1 3.79Å; V472-T506 CarbonylContact O-C 3.41Å; V472-T506 WeakPolarHBondContact O-CA 3.09Å; V472-T506 WeakPolarHBondContact O-CB 3.35Å; V472-V507 HydrophobicContact CG2-CB 4.34Å; V472-V507 PolarHBondContact N-O 3.47Å; V472-V507 PolarHBondContact O-N 3.43Å; V472-L509 HydrophobicContact CG1-CB 4.43Å; V472-L509 HydrophobicContact CG1-CD2 4.29Å; V472-L509 HydrophobicContact CG2-CB 3.87Å; V472-L509 HydrophobicContact CG2-CD2 4.34Å |
| 473 | Q | 98.2 | Very high | 94.1 | Very high | 79 Ų | 79 | 42.2 Ų | 42.2 | 37% | 0.369 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 142.9 | 174.9 | -173.1 | 62.8 | 45.9 | 0 | 0 | 109.8 | D440 D504 G505 | D440-Q473 HydrophobicContact CB-CB 4.16Å; D440-Q473 HydrophobicContact CB-CG 4.25Å; D440-Q473 WeakPolarHBondContact OD1-CG 3.5Å; Q473-D504 PolarHBondContact NE2-O 2.97Å; Q473-G505 PolarHBondContact NE2-O 3.49Å |
| 474 | T | 98.1 | Very high | 94.1 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.025 | 22% | 0.216 | C | C | . | . | trans | -125 | 158.5 | 167.9 | 78.7 | 0 | 0 | 0 | 0 | 110.4 | S451 F457 L476 G505 V507 | S451-T474 VanDerWaalsContact OG-CA 3.28Å; S451-T474 WeakPolarHBondContact OG-CA 3.46Å; F457-T474 HydrophobicContact CB-CG2 4.22Å; F457-T474 HydrophobicContact CD1-CG2 4.19Å; F457-T474 HydrophobicContact CD2-CG2 3.57Å; F457-T474 HydrophobicContact CE1-CG2 4.49Å; F457-T474 HydrophobicContact CE2-CG2 3.91Å; F457-T474 HydrophobicContact CG-CG2 3.72Å; F457-T474 HydrophobicContact CZ-CG2 4.36Å; T474-L476 VanDerWaalsContact C-N 3.28Å; T474-L476 PolarHBondContact OG1-N 3.49Å; T474-G505 WeakPolarHBondContact CB-O 3.47Å; T474-G505 PolarHBondContact N-O 3.02Å; T474-G505 PolarHBondContact OG1-O 3.06Å; T474-V507 HydrophobicContact CG2-CB 4.14Å; T474-V507 HydrophobicContact CG2-CG2 3.59Å | ||
| 475 | G | 97.5 | Very high | 94.4 | Very high | 21 Ų | 21 | 40.7 Ų | 40.7 | 22% | 0.216 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -82.2 | -3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114 | S451 G453 R454 | S451-G475 PolarHBondContact OG-N 3.21Å; G453-G475 WeakPolarHBondContact O-CA 3.39Å; R454-G475 WeakPolarHBondContact CA-O 3.32Å; R454-G475 WeakPolarHBondContact CG-O 3.45Å |
| 476 | L | 98.1 | Very high | 94.5 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -76.7 | 152.3 | -175.6 | -70.5 | 170.2 | 0 | 0 | 0 | 112.2 | F457 T474 Y481 V501 I519 T521 | F457-L476 HydrophobicContact CB-CD1 3.89Å; T474-L476 VanDerWaalsContact C-N 3.28Å; T474-L476 PolarHBondContact OG1-N 3.49Å; L476-Y481 HydrophobicContact CD1-CD1 4.43Å; L476-Y481 HydrophobicContact CD1-CE1 4.13Å; L476-Y481 HydrophobicContact CD2-CE1 4.08Å; L476-V501 HydrophobicContact CB-CG1 4.42Å; L476-V501 HydrophobicContact CB-CG2 4.25Å; L476-V501 HydrophobicContact CD1-CG2 4.47Å; L476-I519 HydrophobicContact CD1-CB 4.46Å; L476-I519 HydrophobicContact CD1-CD1 3.53Å; L476-I519 HydrophobicContact CD1-CG1 3.64Å; L476-T521 HydrophobicContact CD2-CG2 4.25Å |
| 477 | R | 96.5 | Very high | 94.5 | Very high | 143 Ų | 143 | 33.9 Ų | 33.9 | 54% | 0.54 | 18% | 0.184 | S | C | . | . | P | Polyproline II helix | trans | -68.4 | 152.3 | 173.4 | 63.8 | 177.7 | 178.8 | 129.6 | -2.2 | 111 | G479 Y481 V501 M524 | R477-G479 PolarHBondContact O-N 3.2Å; R477-Y481 WeakPolarHBondContact CG-OH 3.48Å; R477-Y481 WeakPolarHBondContact O-CE2 3.08Å; R477-Y481 PolarHBondContact O-OH 3.47Å; R477-Y481 VanDerWaalsContact O-OH 3.07Å; R477-V501 WeakPolarHBondContact O-CG1 3.33Å; R477-M524 HydrophobicContact CG-SD 3.88Å; R477-M524 VanDerWaalsContact CZ-CE 3.42Å; R477-M524 PolarHBondContact NE-SD 2.79Å; R477-M524 PolarHBondContact NH2-SD 3.35Å |
| 478 | P | 94.3 | Very high | 94.5 | Very high | 68 Ų | 68 | 36.5 Ų | 36.5 | 44% | 0.442 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -57.2 | 133.3 | 174 | -24.3 | 34 | 0 | 0 | 0 | 111.6 | V501 K502 | P478-V501 WeakPolarHBondContact CA-O 3.49Å; P478-K502 WeakPolarHBondContact CB-O 3.14Å; P478-K502 WeakPolarHBondContact CG-O 3.33Å |
| 479 | G | 93.9 | Very high | 94.5 | Very high | 16 Ų | 16 | 38.9 Ų | 38.9 | 17% | 0.165 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.6 | -178 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R477 V501 | R477-G479 PolarHBondContact O-N 3.2Å; G479-V501 PolarHBondContact N-O 3.33Å; G479-V501 PolarHBondContact O-N 3.48Å |
| 480 | V | 94.7 | Very high | 94.3 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 131.9 | 171.5 | -174.7 | 0 | 0 | 0 | 0 | 107.1 | V499 V500 M524 I525 L527 M647 | V480-V499 WeakPolarHBondContact CA-O 3.5Å; V480-V500 HydrophobicContact CG2-CG2 4.32Å; V480-M524 WeakPolarHBondContact O-CA 3.47Å; V480-I525 HydrophobicContact CB-CD1 3.96Å; V480-I525 HydrophobicContact CB-CG1 3.69Å; V480-I525 HydrophobicContact CG1-CD1 3.67Å; V480-I525 HydrophobicContact CG1-CG1 3.86Å; V480-I525 VanDerWaalsContact O-CG1 3.25Å; V480-I525 WeakPolarHBondContact O-CG1 3.36Å; V480-I525 PolarHBondContact O-N 3.16Å; V480-L527 HydrophobicContact CB-CD1 4.22Å; V480-L527 HydrophobicContact CG2-CD1 3.88Å; V480-M647 HydrophobicContact CG2-CE 3.91Å; V480-M647 HydrophobicContact CG2-CG 3.92Å; V480-M647 HydrophobicContact CG2-SD 4.11Å |
| 481 | Y | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 141.5 | -171.3 | -70.5 | -102.7 | 0 | 0 | 0 | 109.2 | L476 R477 S498 V499 V501 I519 S520 S523 M524 | L476-Y481 HydrophobicContact CD1-CD1 4.43Å; L476-Y481 HydrophobicContact CD1-CE1 4.13Å; L476-Y481 HydrophobicContact CD2-CE1 4.08Å; R477-Y481 WeakPolarHBondContact CG-OH 3.48Å; R477-Y481 WeakPolarHBondContact O-CE2 3.08Å; R477-Y481 PolarHBondContact O-OH 3.47Å; R477-Y481 VanDerWaalsContact O-OH 3.07Å; Y481-S498 CarbonylContact O-C 3.56Å; Y481-S498 VanDerWaalsContact O-CA 3.32Å; Y481-S498 WeakPolarHBondContact O-CA 3.43Å; Y481-V499 PolarHBondContact N-O 2.93Å; Y481-V499 PolarHBondContact O-N 3.25Å; Y481-V501 HydrophobicContact CD2-CB 4.27Å; Y481-V501 HydrophobicContact CD2-CG2 3.54Å; Y481-V501 HydrophobicContact CE2-CB 3.99Å; Y481-V501 HydrophobicContact CE2-CG2 3.53Å; Y481-V501 HydrophobicContact CG-CG2 4.49Å; Y481-I519 HydrophobicContact CD1-CB 4.34Å; Y481-I519 HydrophobicContact CG-CB 4.38Å; Y481-I519 HydrophobicContact CG-CD1 4.22Å; Y481-S520 WeakPolarHBondContact CD1-O 3.33Å; Y481-S520 VanDerWaalsContact CE1-O 3.24Å; Y481-S520 WeakPolarHBondContact CE1-O 3.43Å; Y481-S523 CarbonylContact C-O 3.32Å; Y481-S523 WeakPolarHBondContact CA-O 3.01Å; Y481-M524 HydrophobicContact CD1-CB 3.82Å; Y481-M524 HydrophobicContact CD1-CG 4.4Å; Y481-M524 HydrophobicContact CD2-CG 4.49Å; Y481-M524 HydrophobicContact CE1-CB 3.59Å; Y481-M524 HydrophobicContact CE1-CG 4.09Å; Y481-M524 HydrophobicContact CE1-SD 4.18Å; Y481-M524 HydrophobicContact CE2-CG 4.15Å; Y481-M524 HydrophobicContact CE2-SD 3.9Å; Y481-M524 HydrophobicContact CG-CB 4.41Å; Y481-M524 VanDerWaalsContact CZ-SD 3.56Å; Y481-M524 PolarHBondContact OH-SD 3.24Å; Y481-M524 VanDerWaalsContact OH-SD 3.38Å |
| 482 | C | 94.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 127.3 | 171.2 | -54.4 | 0 | 0 | 0 | 0 | 109.3 | M484 V489 C494 S523 | C482-M484 PolarHBondContact O-N 3.2Å; C482-V489 HydrophobicContact CB-CG2 4.13Å; C482-V489 VanDerWaalsContact SG-CG2 3.53Å; C482-C494 WeakPolarHBondContact CA-SG 3.49Å; C482-C494 HydrophobicContact CB-CB 3.7Å; C482-C494 WeakPolarHBondContact CB-SG 3.5Å; C482-C494 WeakPolarHBondContact SG-CA 3.45Å; C482-C494 WeakPolarHBondContact SG-CB 3.5Å; C482-C494 CovalentContact SG-SG 2.03Å; C482-C494 PolarHBondContact SG-SG 3.43Å; C482-S523 PolarHBondContact N-O 3.06Å; C482-S523 WeakPolarHBondContact O-CB 3.49Å; C482-S523 PolarHBondContact O-OG 3.23Å |
| 483 | D | 94.7 | Very high | 93 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | trans | -61.9 | 110.9 | 170.3 | 172.4 | 25.1 | 0 | 0 | 0 | 109.4 | V485 T486 G487 K497 V499 M517 A518 | D483-V485 PolarHBondContact O-N 2.96Å; D483-V485 VanDerWaalsContact O-N 3.16Å; D483-V485 PolarHBondContact OD1-N 2.95Å; D483-V485 VanDerWaalsContact OD1-N 3.16Å; D483-T486 WeakPolarHBondContact CB-OG1 2.86Å; D483-T486 PolarHBondContact O-N 2.99Å; D483-T486 VanDerWaalsContact O-N 3.16Å; D483-T486 WeakPolarHBondContact OD2-CB 3.47Å; D483-T486 VanDerWaalsContact OD2-CG2 3.26Å; D483-T486 WeakPolarHBondContact OD2-CG2 3.28Å; D483-T486 PolarHBondContact OD2-OG1 3.13Å; D483-G487 CarbonylContact O-C 2.92Å; D483-G487 PolarHBondContact O-N 3.38Å; D483-K497 HydrophobicContact CB-CB 4.05Å; D483-K497 WeakPolarHBondContact CB-O 3.01Å; D483-K497 PolarHBondContact N-O 3.45Å; D483-V499 HydrophobicContact CB-CG2 4.36Å; D483-M517 HydrophobicContact CB-CG 4.31Å; D483-M517 WeakPolarHBondContact OD1-CA 3.3Å; D483-A518 PolarHBondContact OD1-N 3.24Å; D483-A518 VanDerWaalsContact OD1-N 3.07Å | ||
| 484 | M | 95.6 | Very high | 92.6 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.02 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -21.6 | -175.3 | -62.1 | -178 | 70.4 | 0 | 0 | 112 | R425 L428 F429 C482 G487 A518 S520 | R425-M484 HydrophobicContact CB-CB 4.48Å; R425-M484 WeakPolarHBondContact CB-O 3.16Å; R425-M484 VanDerWaalsContact CG-O 3.23Å; R425-M484 WeakPolarHBondContact CG-O 3.49Å; L428-M484 HydrophobicContact CB-CE 3.89Å; F429-M484 HydrophobicContact CB-CE 4.11Å; F429-M484 HydrophobicContact CB-SD 4.01Å; F429-M484 HydrophobicContact CD2-SD 3.94Å; F429-M484 HydrophobicContact CG-SD 4.49Å; C482-M484 PolarHBondContact O-N 3.2Å; M484-G487 WeakPolarHBondContact CA-O 3.38Å; M484-A518 WeakPolarHBondContact CB-O 3.08Å; M484-A518 WeakPolarHBondContact CG-O 3.49Å; M484-A518 PolarHBondContact N-O 3.25Å; M484-S520 PolarHBondContact SD-OG 2.8Å |
| 485 | V | 94.2 | Very high | 92.1 | Very high | 18 Ų | 18 | 39 Ų | 39 | 11% | 0.109 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -39.6 | 177.7 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | F341 T422 M426 D483 V516 A518 | F341-V485 HydrophobicContact CE1-CG1 3.72Å; F341-V485 HydrophobicContact CZ-CG1 3.65Å; F341-V485 HydrophobicContact CZ-CG2 4.17Å; T422-V485 HydrophobicContact CG2-CG1 4.38Å; M426-V485 HydrophobicContact SD-CG2 3.93Å; D483-V485 PolarHBondContact O-N 2.96Å; D483-V485 VanDerWaalsContact O-N 3.16Å; D483-V485 PolarHBondContact OD1-N 2.95Å; D483-V485 VanDerWaalsContact OD1-N 3.16Å; V485-V516 HydrophobicContact CG2-CG1 4.21Å; V485-A518 HydrophobicContact CG2-CB 4.14Å |
| 486 | T | 89.7 | Confident | 91.5 | Very high | 52 Ų | 52 | 38.2 Ų | 38.2 | 32% | 0.319 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -9.3 | -174.1 | 57.9 | 0 | 0 | 0 | 0 | 113.9 | D483 G496 K497 A581 | D483-T486 WeakPolarHBondContact CB-OG1 2.86Å; D483-T486 PolarHBondContact O-N 2.99Å; D483-T486 VanDerWaalsContact O-N 3.16Å; D483-T486 WeakPolarHBondContact OD2-CB 3.47Å; D483-T486 VanDerWaalsContact OD2-CG2 3.26Å; D483-T486 WeakPolarHBondContact OD2-CG2 3.28Å; D483-T486 PolarHBondContact OD2-OG1 3.13Å; T486-G496 WeakPolarHBondContact O-CA 3.49Å; T486-K497 WeakPolarHBondContact OG1-CB 3.35Å; T486-K497 PolarHBondContact OG1-N 3.06Å; T486-K497 VanDerWaalsContact OG1-N 3.17Å; T486-A581 HydrophobicContact CG2-CB 4.4Å |
| 487 | G | 88.3 | Confident | 91 | Very high | 14 Ų | 14 | 38.6 Ų | 38.6 | 14% | 0.144 | 23% | 0.231 | C | C | . | . | trans | 179.6 | -154 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D483 M484 T495 | D483-G487 CarbonylContact O-C 2.92Å; D483-G487 PolarHBondContact O-N 3.38Å; M484-G487 WeakPolarHBondContact CA-O 3.38Å; G487-T495 WeakPolarHBondContact CA-OG1 3.49Å | ||
| 488 | E | 89.6 | Confident | 90.8 | Very high | 79 Ų | 79 | 32 Ų | 32 | 37% | 0.369 | 21% | 0.207 | S | C | . | . | trans | -151.8 | 171.5 | -172.8 | 66.8 | -173.1 | 175.4 | 0 | 0 | 112.5 | R425 V490 C494 T495 | R425-E488 IonicContact CZ-OE2 2.93Å; R425-E488 IonicContact NH1-OE2 3.7Å; R425-E488 PolarHBondContact NH1-OE2 3.07Å; E488-V490 HydrophobicContact CG-CG2 4.33Å; E488-C494 WeakPolarHBondContact O-CA 3.28Å; E488-T495 HydrophobicContact CG-CG2 4.34Å; E488-T495 PolarHBondContact N-OG1 3.44Å; E488-T495 PolarHBondContact O-N 3.03Å; E488-T495 PolarHBondContact O-OG1 2.94Å | ||
| 489 | V | 91.9 | Very high | 90.7 | Very high | 50 Ų | 50 | 29 Ų | 29 | 30% | 0.303 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 120.8 | 176.2 | 177.6 | 0 | 0 | 0 | 0 | 109.3 | C482 S523 I525 | C482-V489 HydrophobicContact CB-CG2 4.13Å; C482-V489 VanDerWaalsContact SG-CG2 3.53Å; V489-S523 WeakPolarHBondContact CG2-O 3.39Å; V489-I525 HydrophobicContact CB-CG2 4.44Å; V489-I525 HydrophobicContact CG1-CG2 3.79Å; V489-I525 HydrophobicContact CG2-CG2 4.04Å |
| 490 | V | 87.5 | Confident | 90.7 | Very high | 77 Ų | 77 | 29.8 Ų | 29.8 | 47% | 0.467 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 109.6 | 167.4 | 176.9 | 0 | 0 | 0 | 0 | 108.4 | E488 Q492 S493 T495 | E488-V490 HydrophobicContact CG-CG2 4.33Å; V490-Q492 PolarHBondContact O-N 2.95Å; V490-S493 PolarHBondContact N-O 3.46Å; V490-S493 PolarHBondContact O-N 2.99Å; V490-T495 HydrophobicContact CB-CG2 4.17Å; V490-T495 HydrophobicContact CG2-CG2 3.47Å; V490-T495 VanDerWaalsContact CG2-CG2 3.47Å |
| 491 | G | 86.1 | Confident | 90.7 | Very high | 71 Ų | 71 | 29.6 Ų | 29.6 | 73% | 0.732 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | -107 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 492 | Q | 86.9 | Confident | 90.6 | Very high | 75 Ų | 75 | 33 Ų | 33 | 35% | 0.35 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | 23.1 | 176.6 | -51.8 | -178 | -63.3 | 0 | 0 | 112.4 | V490 L527 V575 | V490-Q492 PolarHBondContact O-N 2.95Å; Q492-L527 HydrophobicContact CB-CD2 4.4Å; Q492-V575 WeakPolarHBondContact O-CG2 3.13Å |
| 493 | S | 87.7 | Confident | 90.5 | Very high | 18 Ų | 18 | 42.3 Ų | 42.3 | 13% | 0.126 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 160.9 | -178.8 | -59.2 | 0 | 0 | 0 | 0 | 110.1 | V490 N595 | V490-S493 PolarHBondContact N-O 3.46Å; V490-S493 PolarHBondContact O-N 2.99Å; S493-N595 PolarHBondContact OG-OD1 3.39Å; S493-N595 VanDerWaalsContact OG-OD1 3.04Å |
| 494 | C | 89.3 | Confident | 90.6 | Very high | 20 Ų | 20 | 47 Ų | 47 | 14% | 0.135 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 137.1 | 171.6 | -58.4 | 0 | 0 | 0 | 0 | 109.7 | C482 E488 G496 S498 | C482-C494 WeakPolarHBondContact CA-SG 3.49Å; C482-C494 HydrophobicContact CB-CB 3.7Å; C482-C494 WeakPolarHBondContact CB-SG 3.5Å; C482-C494 WeakPolarHBondContact SG-CA 3.45Å; C482-C494 WeakPolarHBondContact SG-CB 3.5Å; C482-C494 CovalentContact SG-SG 2.03Å; C482-C494 PolarHBondContact SG-SG 3.43Å; E488-C494 WeakPolarHBondContact O-CA 3.28Å; C494-G496 VanDerWaalsContact C-N 3.27Å; C494-G496 WeakPolarHBondContact CB-O 3.32Å; C494-S498 WeakPolarHBondContact CB-OG 3.49Å; C494-S498 PolarHBondContact SG-OG 3.36Å |
| 495 | T | 86.4 | Confident | 90.6 | Very high | 76 Ų | 76 | 47.1 Ų | 47.1 | 47% | 0.466 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -75.5 | -23.7 | 169.9 | 57 | 0 | 0 | 0 | 0 | 112 | G487 E488 V490 | G487-T495 WeakPolarHBondContact CA-OG1 3.49Å; E488-T495 HydrophobicContact CG-CG2 4.34Å; E488-T495 PolarHBondContact N-OG1 3.44Å; E488-T495 PolarHBondContact O-N 3.03Å; E488-T495 PolarHBondContact O-OG1 2.94Å; V490-T495 HydrophobicContact CB-CG2 4.17Å; V490-T495 HydrophobicContact CG2-CG2 3.47Å; V490-T495 VanDerWaalsContact CG2-CG2 3.47Å |
| 496 | G | 85.2 | Confident | 90.8 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -111.6 | -156.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T486 C494 T580 | T486-G496 WeakPolarHBondContact O-CA 3.49Å; C494-G496 VanDerWaalsContact C-N 3.27Å; C494-G496 WeakPolarHBondContact CB-O 3.32Å; G496-T580 WeakPolarHBondContact CA-OG1 3.36Å |
| 497 | K | 87.7 | Confident | 91 | Very high | 16 Ų | 16 | 44.5 Ų | 44.5 | 7% | 0.07 | 25% | 0.254 | C | S | . | . | trans | -64.7 | 136.1 | 179.5 | 179.9 | 178.5 | -172.8 | 165.9 | 0 | 110.7 | D483 T486 F510 E579 T580 | D483-K497 HydrophobicContact CB-CB 4.05Å; D483-K497 WeakPolarHBondContact CB-O 3.01Å; D483-K497 PolarHBondContact N-O 3.45Å; T486-K497 WeakPolarHBondContact OG1-CB 3.35Å; T486-K497 PolarHBondContact OG1-N 3.06Å; T486-K497 VanDerWaalsContact OG1-N 3.17Å; K497-F510 PolarHBondContact NZ-O 2.91Å; K497-E579 HydrophobicContact CD-CG 4.31Å; K497-E579 IonicContact NZ-OE1 3.84Å; K497-E579 PolarHBondContact NZ-OE1 3.12Å; K497-T580 PolarHBondContact N-OG1 3.47Å; K497-T580 VanDerWaalsContact N-OG1 3.14Å | ||
| 498 | S | 92.3 | Very high | 91.2 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 3% | 0.028 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 146.2 | 167.8 | -50.2 | 0 | 0 | 0 | 0 | 110.7 | Y481 C494 R576 | Y481-S498 CarbonylContact O-C 3.56Å; Y481-S498 VanDerWaalsContact O-CA 3.32Å; Y481-S498 WeakPolarHBondContact O-CA 3.43Å; C494-S498 WeakPolarHBondContact CB-OG 3.49Å; C494-S498 PolarHBondContact SG-OG 3.36Å; S498-R576 VanDerWaalsContact CB-O 3.27Å; S498-R576 WeakPolarHBondContact CB-O 3.4Å; S498-R576 PolarHBondContact OG-O 3.29Å |
| 499 | V | 93.4 | Very high | 91.4 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 126 | 178.7 | -174.6 | 0 | 0 | 0 | 0 | 108.5 | V480 Y481 D483 V507 M517 I519 | V480-V499 WeakPolarHBondContact CA-O 3.5Å; Y481-V499 PolarHBondContact N-O 2.93Å; Y481-V499 PolarHBondContact O-N 3.25Å; D483-V499 HydrophobicContact CB-CG2 4.36Å; V499-V507 HydrophobicContact CG1-CB 4.46Å; V499-V507 HydrophobicContact CG1-CG1 3.46Å; V499-V507 VanDerWaalsContact CG1-CG1 3.46Å; V499-V507 HydrophobicContact CG1-CG2 4.07Å; V499-M517 HydrophobicContact CG1-SD 4.27Å; V499-M517 HydrophobicContact CG2-CE 3.89Å; V499-M517 HydrophobicContact CG2-CG 4.36Å; V499-M517 HydrophobicContact CG2-SD 3.8Å; V499-I519 HydrophobicContact CB-CD1 4.21Å; V499-I519 HydrophobicContact CB-CG2 4.11Å; V499-I519 HydrophobicContact CG1-CD1 3.91Å; V499-I519 HydrophobicContact CG2-CG2 3.92Å |
| 500 | V | 93.2 | Very high | 91.4 | Very high | 31 Ų | 31 | 40.9 Ų | 40.9 | 19% | 0.188 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 113.9 | -179.6 | -176 | 0 | 0 | 0 | 0 | 109.5 | V480 V577 M647 | V480-V500 HydrophobicContact CG2-CG2 4.32Å; V500-V577 HydrophobicContact CG2-CG1 3.99Å; V500-V577 HydrophobicContact CG2-CG2 4.2Å; V500-M647 HydrophobicContact CG2-SD 3.94Å |
| 501 | V | 95.2 | Very high | 91.5 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 115 | 167.7 | -176.6 | 0 | 0 | 0 | 0 | 107.8 | L476 R477 P478 G479 Y481 V507 I519 | L476-V501 HydrophobicContact CB-CG1 4.42Å; L476-V501 HydrophobicContact CB-CG2 4.25Å; L476-V501 HydrophobicContact CD1-CG2 4.47Å; R477-V501 WeakPolarHBondContact O-CG1 3.33Å; P478-V501 WeakPolarHBondContact CA-O 3.49Å; G479-V501 PolarHBondContact N-O 3.33Å; G479-V501 PolarHBondContact O-N 3.48Å; Y481-V501 HydrophobicContact CD2-CB 4.27Å; Y481-V501 HydrophobicContact CD2-CG2 3.54Å; Y481-V501 HydrophobicContact CE2-CB 3.99Å; Y481-V501 HydrophobicContact CE2-CG2 3.53Å; Y481-V501 HydrophobicContact CG-CG2 4.49Å; V501-V507 HydrophobicContact CB-CG2 4.3Å; V501-V507 HydrophobicContact CG2-CG2 3.71Å; V501-I519 HydrophobicContact CG2-CD1 4.07Å |
| 502 | K | 93.6 | Very high | 91.7 | Very high | 72 Ų | 72 | 35.4 Ų | 35.4 | 31% | 0.313 | 18% | 0.181 | S | C | . | . | trans | -71.2 | 172.6 | -177.4 | -63.2 | -175.5 | -162.6 | 165.8 | 0 | 111.6 | P478 D504 G505 T506 N508 | P478-K502 WeakPolarHBondContact CB-O 3.14Å; P478-K502 WeakPolarHBondContact CG-O 3.33Å; K502-D504 VanDerWaalsContact CB-OD1 3.32Å; K502-D504 WeakPolarHBondContact CB-OD1 3.43Å; K502-D504 PolarHBondContact O-N 3.01Å; K502-G505 PolarHBondContact O-N 2.68Å; K502-T506 WeakPolarHBondContact CB-O 3.48Å; K502-T506 PolarHBondContact N-O 2.73Å; K502-N508 WeakPolarHBondContact CE-ND2 3.37Å; K502-N508 WeakPolarHBondContact CE-OD1 3.27Å; K502-N508 PolarHBondContact NZ-ND2 2.97Å; K502-N508 PolarHBondContact NZ-OD1 2.84Å | ||
| 503 | K | 92.7 | Very high | 91.9 | Very high | 195 Ų | 195 | 33.4 Ų | 33.4 | 85% | 0.848 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -27.2 | -178.3 | -72.5 | -174.2 | 176.8 | -177.7 | 0 | 114.3 | G505 | K503-G505 VanDerWaalsContact C-N 3.31Š|
| 504 | D | 95.5 | Very high | 92.2 | Very high | 101 Ų | 101 | 37.1 Ų | 37.1 | 54% | 0.54 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 3.9 | 176.8 | 57.5 | 5.5 | 0 | 0 | 0 | 113 | Q473 K502 T506 | Q473-D504 PolarHBondContact NE2-O 2.97Å; K502-D504 VanDerWaalsContact CB-OD1 3.32Å; K502-D504 WeakPolarHBondContact CB-OD1 3.43Å; K502-D504 PolarHBondContact O-N 3.01Å; D504-T506 VanDerWaalsContact C-N 3.28Å; D504-T506 WeakPolarHBondContact OD1-CB 3.3Å; D504-T506 PolarHBondContact OD1-N 2.66Å; D504-T506 PolarHBondContact OD1-OG1 3.44Å; D504-T506 PolarHBondContact OD2-OG1 2.78Å |
| 505 | G | 96 | Very high | 92.4 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 7% | 0.072 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 81.1 | 3.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q473 T474 K502 K503 | Q473-G505 PolarHBondContact NE2-O 3.49Å; T474-G505 WeakPolarHBondContact CB-O 3.47Å; T474-G505 PolarHBondContact N-O 3.02Å; T474-G505 PolarHBondContact OG1-O 3.06Å; K502-G505 PolarHBondContact O-N 2.68Å; K503-G505 VanDerWaalsContact C-N 3.31Å |
| 506 | T | 97.6 | Very high | 92.9 | Very high | 14 Ų | 14 | 36.5 Ų | 36.5 | 9% | 0.086 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 152.9 | 177.7 | 66.2 | 0 | 0 | 0 | 0 | 112.6 | T471 V472 K502 D504 | T471-T506 HydrophobicContact CG2-CG2 4.14Å; V472-T506 CarbonylContact O-C 3.41Å; V472-T506 WeakPolarHBondContact O-CA 3.09Å; V472-T506 WeakPolarHBondContact O-CB 3.35Å; K502-T506 WeakPolarHBondContact CB-O 3.48Å; K502-T506 PolarHBondContact N-O 2.73Å; D504-T506 VanDerWaalsContact C-N 3.28Å; D504-T506 WeakPolarHBondContact OD1-CB 3.3Å; D504-T506 PolarHBondContact OD1-N 2.66Å; D504-T506 PolarHBondContact OD1-OG1 3.44Å; D504-T506 PolarHBondContact OD2-OG1 2.78Å |
| 507 | V | 95.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 137.7 | 170.4 | 170.3 | 0 | 0 | 0 | 0 | 108.5 | T471 V472 T474 V499 V501 L509 | T471-V507 WeakPolarHBondContact CA-O 3.37Å; V472-V507 HydrophobicContact CG2-CB 4.34Å; V472-V507 PolarHBondContact N-O 3.47Å; V472-V507 PolarHBondContact O-N 3.43Å; T474-V507 HydrophobicContact CG2-CB 4.14Å; T474-V507 HydrophobicContact CG2-CG2 3.59Å; V499-V507 HydrophobicContact CG1-CB 4.46Å; V499-V507 HydrophobicContact CG1-CG1 3.46Å; V499-V507 VanDerWaalsContact CG1-CG1 3.46Å; V499-V507 HydrophobicContact CG1-CG2 4.07Å; V501-V507 HydrophobicContact CB-CG2 4.3Å; V501-V507 HydrophobicContact CG2-CG2 3.71Å; V507-L509 VanDerWaalsContact C-N 3.32Å; V507-L509 PolarHBondContact O-N 2.68Å; V507-L509 VanDerWaalsContact O-N 3.15Å |
| 508 | N | 92.8 | Very high | 93.9 | Very high | 49 Ų | 49 | 35.7 Ų | 35.7 | 26% | 0.262 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 87.5 | 162.4 | -72.6 | -16.2 | 0 | 0 | 0 | 107.7 | R470 T471 K502 F510 Y634 | R470-N508 CarbonylContact O-C 3.59Å; T471-N508 PolarHBondContact OG1-OD1 2.85Å; T471-N508 VanDerWaalsContact OG1-OD1 3.07Å; K502-N508 WeakPolarHBondContact CE-ND2 3.37Å; K502-N508 WeakPolarHBondContact CE-OD1 3.27Å; K502-N508 PolarHBondContact NZ-ND2 2.97Å; K502-N508 PolarHBondContact NZ-OD1 2.84Å; N508-F510 PolarHBondContact O-N 2.86Å; N508-F510 VanDerWaalsContact O-N 3.15Å; N508-Y634 PolarHBondContact ND2-OH 2.9Å |
| 509 | L | 93 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 107.9 | 179.2 | 176.8 | 63.1 | 0 | 0 | 0 | 108.8 | A449 A459 W468 D469 R470 V472 V507 L511 M517 | A449-L509 HydrophobicContact CB-CD2 4.27Å; A459-L509 HydrophobicContact CB-CD1 3.8Å; A459-L509 HydrophobicContact CB-CD2 3.83Å; A459-L509 HydrophobicContact CB-CG 4.49Å; W468-L509 HydrophobicContact CD2-CD2 4.05Å; W468-L509 HydrophobicContact CE3-CD2 3.65Å; W468-L509 HydrophobicContact CH2-CD2 4.27Å; W468-L509 HydrophobicContact CZ3-CD2 3.78Å; W468-L509 VanDerWaalsContact O-O 3.05Å; D469-L509 CarbonylContact C-O 3.47Å; D469-L509 VanDerWaalsContact CA-O 3.27Å; D469-L509 WeakPolarHBondContact CA-O 3.43Å; R470-L509 PolarHBondContact N-O 2.9Å; R470-L509 WeakPolarHBondContact O-CA 3.25Å; R470-L509 WeakPolarHBondContact O-CB 3.42Å; R470-L509 PolarHBondContact O-N 3.12Å; V472-L509 HydrophobicContact CG1-CB 4.43Å; V472-L509 HydrophobicContact CG1-CD2 4.29Å; V472-L509 HydrophobicContact CG2-CB 3.87Å; V472-L509 HydrophobicContact CG2-CD2 4.34Å; V507-L509 VanDerWaalsContact C-N 3.32Å; V507-L509 PolarHBondContact O-N 2.68Å; V507-L509 VanDerWaalsContact O-N 3.15Å; L509-L511 HydrophobicContact CD1-CB 4.05Å; L509-L511 HydrophobicContact CG-CB 4.44Å; L509-M517 HydrophobicContact CD1-CE 3.49Å; L509-M517 VanDerWaalsContact CD1-CE 3.49Å; L509-M517 HydrophobicContact CD1-SD 4.01Å |
| 510 | F | 91.3 | Very high | 94.4 | Very high | 19 Ų | 19 | 35.2 Ų | 35.2 | 8% | 0.083 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 111.4 | 163.2 | 179.7 | -123.2 | 0 | 0 | 0 | 108.4 | W468 D469 K497 N508 E579 F631 P633 | W468-F510 CarbonylContact O-C 3.55Å; W468-F510 VanDerWaalsContact O-CA 3.26Å; W468-F510 WeakPolarHBondContact O-CA 3.39Å; D469-F510 HydrophobicContact CB-CD2 4.44Å; K497-F510 PolarHBondContact NZ-O 2.91Å; N508-F510 PolarHBondContact O-N 2.86Å; N508-F510 VanDerWaalsContact O-N 3.15Å; F510-E579 WeakPolarHBondContact CE1-OE2 3.13Å; F510-F631 AromaticContact CE2-CD1 3.76Å; F510-F631 HydrophobicContact CE2-CD1 3.76Å; F510-F631 AromaticContact CE2-CE1 3.93Å; F510-F631 HydrophobicContact CE2-CE1 3.93Å; F510-F631 HydrophobicContact CZ-CD1 4.13Å; F510-F631 VanDerWaalsContact CZ-O 3.25Å; F510-F631 WeakPolarHBondContact CZ-O 3.42Å; F510-P633 HydrophobicContact CB-CG 4.1Å; F510-P633 HydrophobicContact CD1-CG 4.49Å; F510-P633 HydrophobicContact CD2-CG 3.8Å; F510-P633 HydrophobicContact CE2-CG 4.36Å; F510-P633 HydrophobicContact CG-CG 3.88Å |
| 511 | L | 91.1 | Very high | 94.6 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 117.2 | -177.5 | -170.2 | 60.1 | 0 | 0 | 0 | 110.3 | A459 N461 S467 W468 L509 K515 M517 | A459-L511 HydrophobicContact CB-CD2 3.96Å; A459-L511 WeakPolarHBondContact O-CD2 3.33Å; N461-L511 HydrophobicContact CB-CB 4.3Å; N461-L511 HydrophobicContact CB-CD2 3.83Å; N461-L511 HydrophobicContact CB-CG 3.91Å; N461-L511 PolarHBondContact ND2-O 2.93Å; S467-L511 CarbonylContact C-O 3.55Å; S467-L511 WeakPolarHBondContact CA-O 3.28Å; W468-L511 PolarHBondContact N-O 2.95Å; W468-L511 PolarHBondContact O-N 3.37Å; L509-L511 HydrophobicContact CD1-CB 4.05Å; L509-L511 HydrophobicContact CG-CB 4.44Å; L511-K515 HydrophobicContact CD1-CB 3.83Å; L511-K515 WeakPolarHBondContact CD2-O 3.24Å; L511-K515 HydrophobicContact CG-CB 4.29Å; L511-M517 HydrophobicContact CD1-CB 4Å |
| 512 | R | 89.8 | Confident | 94.7 | Very high | 29 Ų | 29 | 38.9 Ų | 38.9 | 11% | 0.109 | 20% | 0.196 | C | C | . | . | trans | -61.4 | 160.7 | -179.3 | -67.3 | -176.4 | 179.5 | -76.8 | -11.8 | 112.8 | N461 R514 K515 E579 K629 | N461-R512 VanDerWaalsContact ND2-C 3.3Å; N461-R512 PolarHBondContact ND2-O 3.23Å; R512-R514 PolarHBondContact O-N 2.93Å; R512-K515 HydrophobicContact CB-CG 4Å; R512-K515 PolarHBondContact O-N 2.81Å; R512-E579 IonicContact CZ-OE2 3.51Å; R512-E579 IonicContact NE-OE1 3.15Å; R512-E579 IonicContact NE-OE2 2.62Å; R512-E579 PolarHBondContact NE-OE2 3.17Å; R512-E579 IonicContact NH2-OE2 3.03Å; R512-E579 PolarHBondContact NH2-OE2 3.12Å; R512-K629 PolarHBondContact NH1-O 3.21Å | ||
| 513 | S | 90.7 | Very high | 94.8 | Very high | 32 Ų | 32 | 35.5 Ų | 35.5 | 22% | 0.224 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | 134.3 | 170.4 | 154.6 | 0 | 0 | 0 | 0 | 110.8 | N461 D463 G464 K465 K515 | N461-S513 PolarHBondContact ND2-N 3.47Å; D463-S513 WeakPolarHBondContact O-CA 3.07Å; D463-S513 VanDerWaalsContact O-CB 3.23Å; D463-S513 WeakPolarHBondContact O-CB 3.46Å; D463-S513 PolarHBondContact O-OG 2.98Å; G464-S513 PolarHBondContact O-OG 3.19Å; K465-S513 PolarHBondContact N-OG 2.8Å; S513-K515 VanDerWaalsContact C-N 3.33Å; S513-K515 PolarHBondContact O-N 3.1Å |
| 514 | R | 93.3 | Very high | 95 | Very high | 96 Ų | 96 | 27.7 Ų | 27.7 | 36% | 0.362 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 36.4 | -180 | -54.9 | -179 | -175.9 | -74.6 | -2.4 | 114.9 | H290 M342 N461 D463 R512 | H290-R514 PolarHBondContact NE2-NH1 3.03Å; H290-R514 PolarHBondContact NE2-NH2 3.1Å; M342-R514 HydrophobicContact CE-CB 4.26Å; N461-R514 CarbonylContact O-C 3.2Å; N461-R514 WeakPolarHBondContact O-CA 3.11Å; N461-R514 PolarHBondContact O-N 3.02Å; D463-R514 PolarHBondContact O-N 3.32Å; R512-R514 PolarHBondContact O-N 2.93Å |
| 515 | K | 93.9 | Very high | 94.8 | Very high | 78 Ų | 78 | 23.1 Ų | 23.1 | 34% | 0.339 | 12% | 0.124 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 157.9 | 177.7 | -62.1 | -61.7 | 169.5 | -167.5 | 0 | 112.3 | D338 N461 L511 R512 S513 | D338-K515 IonicContact OD2-NZ 2.73Å; D338-K515 PolarHBondContact OD2-NZ 3.09Å; N461-K515 PolarHBondContact N-O 3.38Å; N461-K515 PolarHBondContact O-N 3.02Å; L511-K515 HydrophobicContact CD1-CB 3.83Å; L511-K515 WeakPolarHBondContact CD2-O 3.24Å; L511-K515 HydrophobicContact CG-CB 4.29Å; R512-K515 HydrophobicContact CB-CG 4Å; R512-K515 PolarHBondContact O-N 2.81Å; S513-K515 VanDerWaalsContact C-N 3.33Å; S513-K515 PolarHBondContact O-N 3.1Å |
| 516 | V | 96.8 | Very high | 94.3 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 4% | 0.036 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 146.8 | 178.4 | 178.7 | 0 | 0 | 0 | 0 | 107.8 | F341 M342 A345 F458 A459 L460 V485 | F341-V516 HydrophobicContact CE1-CB 4.27Å; M342-V516 HydrophobicContact CB-CG2 4.32Å; M342-V516 HydrophobicContact CG-CG2 3.9Å; A345-V516 HydrophobicContact CB-CG1 4.05Å; F458-V516 HydrophobicContact CD2-CG1 4.12Å; F458-V516 HydrophobicContact CE2-CG1 3.26Å; F458-V516 HydrophobicContact CZ-CG1 3.52Å; A459-V516 CarbonylContact O-C 3.42Å; A459-V516 WeakPolarHBondContact O-CA 3.46Å; L460-V516 HydrophobicContact CB-CG2 4.37Å; L460-V516 HydrophobicContact CD1-CG2 4.33Å; L460-V516 HydrophobicContact CG-CG2 4.13Å; V485-V516 HydrophobicContact CG2-CG1 4.21Å |
| 517 | M | 96.3 | Very high | 94 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 140.4 | 172.1 | 175.5 | -152.4 | -70.8 | 0 | 0 | 108.5 | A459 D483 V499 L509 L511 | A459-M517 PolarHBondContact N-O 3.2Å; A459-M517 PolarHBondContact O-N 2.71Å; D483-M517 HydrophobicContact CB-CG 4.31Å; D483-M517 WeakPolarHBondContact OD1-CA 3.3Å; V499-M517 HydrophobicContact CG1-SD 4.27Å; V499-M517 HydrophobicContact CG2-CE 3.89Å; V499-M517 HydrophobicContact CG2-CG 4.36Å; V499-M517 HydrophobicContact CG2-SD 3.8Å; L509-M517 HydrophobicContact CD1-CE 3.49Å; L509-M517 VanDerWaalsContact CD1-CE 3.49Å; L509-M517 HydrophobicContact CD1-SD 4.01Å; L511-M517 HydrophobicContact CD1-CB 4Å |
| 518 | A | 98.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 129.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | M426 F429 F457 F458 D483 M484 V485 | M426-A518 HydrophobicContact CE-CB 4.14Å; M426-A518 HydrophobicContact SD-CB 3.64Å; F429-A518 HydrophobicContact CD2-CB 3.77Å; F429-A518 HydrophobicContact CE2-CB 3.98Å; F429-A518 HydrophobicContact CG-CB 4.05Å; F429-A518 HydrophobicContact CZ-CB 4.45Å; F457-A518 WeakPolarHBondContact O-CA 3.5Å; F458-A518 HydrophobicContact CD2-CB 4.21Å; D483-A518 PolarHBondContact OD1-N 3.24Å; D483-A518 VanDerWaalsContact OD1-N 3.07Å; M484-A518 WeakPolarHBondContact CB-O 3.08Å; M484-A518 WeakPolarHBondContact CG-O 3.49Å; M484-A518 PolarHBondContact N-O 3.25Å; V485-A518 HydrophobicContact CG2-CB 4.14Å |
| 519 | I | 98.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 139 | 174.3 | 54.9 | 168.4 | 0 | 0 | 0 | 110 | F429 G456 F457 L476 Y481 V499 V501 | F429-I519 WeakPolarHBondContact CE2-O 3.4Å; G456-I519 CarbonylContact C-O 3.59Å; G456-I519 WeakPolarHBondContact CA-O 3.3Å; F457-I519 HydrophobicContact CB-CD1 4.43Å; F457-I519 HydrophobicContact CB-CG1 3.94Å; F457-I519 HydrophobicContact CD1-CD1 4.46Å; F457-I519 HydrophobicContact CD1-CG1 4.23Å; F457-I519 PolarHBondContact N-O 2.79Å; F457-I519 PolarHBondContact O-N 3.12Å; L476-I519 HydrophobicContact CD1-CB 4.46Å; L476-I519 HydrophobicContact CD1-CD1 3.53Å; L476-I519 HydrophobicContact CD1-CG1 3.64Å; Y481-I519 HydrophobicContact CD1-CB 4.34Å; Y481-I519 HydrophobicContact CG-CB 4.38Å; Y481-I519 HydrophobicContact CG-CD1 4.22Å; V499-I519 HydrophobicContact CB-CD1 4.21Å; V499-I519 HydrophobicContact CB-CG2 4.11Å; V499-I519 HydrophobicContact CG1-CD1 3.91Å; V499-I519 HydrophobicContact CG2-CG2 3.92Å; V501-I519 HydrophobicContact CG2-CD1 4.07Å |
| 520 | S | 98.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 171.1 | 178.9 | 74.9 | 0 | 0 | 0 | 0 | 112.7 | S455 Y481 M484 A522 S523 | S455-S520 CarbonylContact O-C 3.52Å; S455-S520 WeakPolarHBondContact O-CA 3.44Å; S455-S520 WeakPolarHBondContact O-CB 3.35Å; Y481-S520 WeakPolarHBondContact CD1-O 3.33Å; Y481-S520 VanDerWaalsContact CE1-O 3.24Å; Y481-S520 WeakPolarHBondContact CE1-O 3.43Å; M484-S520 PolarHBondContact SD-OG 2.8Å; S520-A522 PolarHBondContact O-N 3.23Å; S520-A522 PolarHBondContact OG-N 3.16Å; S520-S523 PolarHBondContact N-OG 3.3Å; S520-S523 PolarHBondContact O-N 3.38Å; S520-S523 PolarHBondContact O-OG 2.92Å |
| 521 | T | 97.5 | Very high | 93.9 | Very high | 55 Ų | 55 | 41.3 Ų | 41.3 | 34% | 0.337 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -50.6 | -39.9 | 172.2 | 37.5 | 0 | 0 | 0 | 0 | 113.7 | E432 S455 L476 S523 M524 | E432-T521 PolarHBondContact OE2-OG1 3.19Å; S455-T521 PolarHBondContact O-N 3.1Å; S455-T521 PolarHBondContact O-OG1 2.91Å; L476-T521 HydrophobicContact CD2-CG2 4.25Å; T521-S523 VanDerWaalsContact C-N 3.28Å; T521-S523 PolarHBondContact O-N 3.08Å; T521-M524 WeakPolarHBondContact O-CB 3.23Å; T521-M524 PolarHBondContact O-N 2.81Å |
| 522 | A | 96.1 | Very high | 94.1 | Very high | 57 Ų | 57 | 45.4 Ų | 45.4 | 47% | 0.471 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -69.6 | -21.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | E432 S520 M524 | E432-A522 HydrophobicContact CG-CB 3.86Å; E432-A522 WeakPolarHBondContact OE1-CB 3.24Å; E432-A522 VanDerWaalsContact OE2-CB 3.25Å; E432-A522 WeakPolarHBondContact OE2-CB 3.5Å; E432-A522 PolarHBondContact OE2-N 2.96Å; S520-A522 PolarHBondContact O-N 3.23Å; S520-A522 PolarHBondContact OG-N 3.16Å; A522-M524 VanDerWaalsContact C-N 3.29Å; A522-M524 PolarHBondContact O-N 2.95Å |
| 523 | S | 96.5 | Very high | 94.3 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.007 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -85.6 | 2.7 | 177.8 | 72.5 | 0 | 0 | 0 | 0 | 114 | Y481 C482 V489 S520 T521 | Y481-S523 CarbonylContact C-O 3.32Å; Y481-S523 WeakPolarHBondContact CA-O 3.01Å; C482-S523 PolarHBondContact N-O 3.06Å; C482-S523 WeakPolarHBondContact O-CB 3.49Å; C482-S523 PolarHBondContact O-OG 3.23Å; V489-S523 WeakPolarHBondContact CG2-O 3.39Å; S520-S523 PolarHBondContact N-OG 3.3Å; S520-S523 PolarHBondContact O-N 3.38Å; S520-S523 PolarHBondContact O-OG 2.92Å; T521-S523 VanDerWaalsContact C-N 3.28Å; T521-S523 PolarHBondContact O-N 3.08Å |
| 524 | M | 95.9 | Very high | 94.6 | Very high | 31 Ų | 31 | 43.9 Ų | 43.9 | 15% | 0.153 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 129.3 | -177.8 | -172.9 | 164.8 | 163.2 | 0 | 0 | 112.6 | R477 V480 Y481 T521 A522 | R477-M524 HydrophobicContact CG-SD 3.88Å; R477-M524 VanDerWaalsContact CZ-CE 3.42Å; R477-M524 PolarHBondContact NE-SD 2.79Å; R477-M524 PolarHBondContact NH2-SD 3.35Å; V480-M524 WeakPolarHBondContact O-CA 3.47Å; Y481-M524 HydrophobicContact CD1-CB 3.82Å; Y481-M524 HydrophobicContact CD1-CG 4.4Å; Y481-M524 HydrophobicContact CD2-CG 4.49Å; Y481-M524 HydrophobicContact CE1-CB 3.59Å; Y481-M524 HydrophobicContact CE1-CG 4.09Å; Y481-M524 HydrophobicContact CE1-SD 4.18Å; Y481-M524 HydrophobicContact CE2-CG 4.15Å; Y481-M524 HydrophobicContact CE2-SD 3.9Å; Y481-M524 HydrophobicContact CG-CB 4.41Å; Y481-M524 VanDerWaalsContact CZ-SD 3.56Å; Y481-M524 PolarHBondContact OH-SD 3.24Å; Y481-M524 VanDerWaalsContact OH-SD 3.38Å; T521-M524 WeakPolarHBondContact O-CB 3.23Å; T521-M524 PolarHBondContact O-N 2.81Å; A522-M524 VanDerWaalsContact C-N 3.29Å; A522-M524 PolarHBondContact O-N 2.95Å |
| 525 | I | 92.5 | Very high | 94.8 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 125.2 | 166.1 | 58 | 171.4 | 0 | 0 | 0 | 110.5 | V480 V489 L527 V575 | V480-I525 HydrophobicContact CB-CD1 3.96Å; V480-I525 HydrophobicContact CB-CG1 3.69Å; V480-I525 HydrophobicContact CG1-CD1 3.67Å; V480-I525 HydrophobicContact CG1-CG1 3.86Å; V480-I525 VanDerWaalsContact O-CG1 3.25Å; V480-I525 WeakPolarHBondContact O-CG1 3.36Å; V480-I525 PolarHBondContact O-N 3.16Å; V489-I525 HydrophobicContact CB-CG2 4.44Å; V489-I525 HydrophobicContact CG1-CG2 3.79Å; V489-I525 HydrophobicContact CG2-CG2 4.04Å; I525-L527 HydrophobicContact CD1-CD1 4.09Å; I525-L527 HydrophobicContact CD1-CD2 4.34Å; I525-L527 HydrophobicContact CD1-CG 4.2Å; I525-L527 HydrophobicContact CG1-CG 4.29Å; I525-L527 PolarHBondContact O-N 3.11Å; I525-V575 HydrophobicContact CD1-CG1 3.71Å; I525-V575 HydrophobicContact CD1-CG2 4.49Å |
| 526 | S | 85.5 | Confident | 94.9 | Very high | 86 Ų | 86 | 35.6 Ų | 35.6 | 60% | 0.601 | 19% | 0.189 | S | C | * | . | trans | -81.9 | 99.5 | 178.2 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 527 | L | 90.9 | Very high | 94.9 | Very high | 33 Ų | 33 | 35.3 Ų | 35.3 | 17% | 0.173 | 19% | 0.187 | C | C | . | . | trans | -97.7 | 139.8 | 175.1 | -61 | -178.6 | 0 | 0 | 0 | 112 | V480 Q492 I525 F531 V575 M647 | V480-L527 HydrophobicContact CB-CD1 4.22Å; V480-L527 HydrophobicContact CG2-CD1 3.88Å; Q492-L527 HydrophobicContact CB-CD2 4.4Å; I525-L527 HydrophobicContact CD1-CD1 4.09Å; I525-L527 HydrophobicContact CD1-CD2 4.34Å; I525-L527 HydrophobicContact CD1-CG 4.2Å; I525-L527 HydrophobicContact CG1-CG 4.29Å; I525-L527 PolarHBondContact O-N 3.11Å; L527-F531 HydrophobicContact CB-CB 4.13Å; L527-F531 HydrophobicContact CB-CD2 4.28Å; L527-F531 HydrophobicContact CB-CG 4.1Å; L527-F531 HydrophobicContact CD1-CB 4.32Å; L527-F531 HydrophobicContact CD1-CD1 4.05Å; L527-F531 HydrophobicContact CD1-CG 4.24Å; L527-F531 HydrophobicContact CD2-CD1 4.48Å; L527-F531 HydrophobicContact CD2-CE1 4.43Å; L527-V575 HydrophobicContact CD1-CB 4.49Å; L527-V575 HydrophobicContact CD1-CG2 4.12Å; L527-V575 HydrophobicContact CD2-CG2 3.96Å; L527-M647 HydrophobicContact CD1-CB 3.96Å; L527-M647 HydrophobicContact CD1-CG 4.13Å | ||
| 528 | P | 91.5 | Very high | 95 | Very high | 68 Ų | 68 | 35.2 Ų | 35.2 | 44% | 0.442 | 19% | 0.187 | S | C | . | . | trans | -55.1 | 151.9 | 170.6 | -25.3 | 33.1 | 0 | 0 | 0 | 112.7 | S530 F531 | P528-S530 PolarHBondContact O-N 3.04Å; P528-F531 HydrophobicContact CB-CD2 4.16Å; P528-F531 HydrophobicContact CG-CD2 4.17Å; P528-F531 HydrophobicContact CG-CE2 4.08Å; P528-F531 WeakPolarHBondContact O-CB 3.19Å; P528-F531 PolarHBondContact O-N 3.01Å | ||
| 529 | R | 90.2 | Very high | 94.9 | Very high | 240 Ų | 240 | 40.1 Ų | 40.1 | 91% | 0.906 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -18.9 | 177.7 | -70.2 | -176.1 | 179.6 | 176.6 | 1.3 | 114 | F531 K532 | R529-F531 PolarHBondContact O-N 3.3Å; R529-K532 PolarHBondContact O-NZ 2.84Å |
| 530 | S | 94.8 | Very high | 94.7 | Very high | 32 Ų | 32 | 41.5 Ų | 41.5 | 22% | 0.224 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -24 | 175.2 | 57.9 | 0 | 0 | 0 | 0 | 112.6 | P528 K532 D649 C650 | P528-S530 PolarHBondContact O-N 3.04Å; S530-K532 PolarHBondContact O-N 2.78Å; S530-D649 WeakPolarHBondContact CB-OD1 3.46Å; S530-D649 PolarHBondContact OG-OD1 3.17Å; S530-C650 VanDerWaalsContact O-CB 3.27Å; S530-C650 WeakPolarHBondContact O-CB 3.48Å; S530-C650 PolarHBondContact O-N 2.95Å; S530-C650 PolarHBondContact O-SG 2.97Å; S530-C650 VanDerWaalsContact O-SG 3.37Å |
| 531 | F | 94.7 | Very high | 94.5 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 6% | 0.057 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 131 | 175.2 | -78.6 | -105.9 | 0 | 0 | 0 | 110.9 | L527 P528 R529 R573 V575 M647 M648 D649 | L527-F531 HydrophobicContact CB-CB 4.13Å; L527-F531 HydrophobicContact CB-CD2 4.28Å; L527-F531 HydrophobicContact CB-CG 4.1Å; L527-F531 HydrophobicContact CD1-CB 4.32Å; L527-F531 HydrophobicContact CD1-CD1 4.05Å; L527-F531 HydrophobicContact CD1-CG 4.24Å; L527-F531 HydrophobicContact CD2-CD1 4.48Å; L527-F531 HydrophobicContact CD2-CE1 4.43Å; P528-F531 HydrophobicContact CB-CD2 4.16Å; P528-F531 HydrophobicContact CG-CD2 4.17Å; P528-F531 HydrophobicContact CG-CE2 4.08Å; P528-F531 WeakPolarHBondContact O-CB 3.19Å; P528-F531 PolarHBondContact O-N 3.01Å; R529-F531 PolarHBondContact O-N 3.3Å; F531-R573 HydrophobicContact CE1-CG 4.31Å; F531-R573 HydrophobicContact CZ-CB 4.18Å; F531-R573 HydrophobicContact CZ-CG 3.93Å; F531-V575 HydrophobicContact CE1-CG2 4.27Å; F531-M647 HydrophobicContact CB-CB 4.49Å; F531-M647 HydrophobicContact CB-CE 4.26Å; F531-M647 HydrophobicContact CD1-CB 3.97Å; F531-M648 CarbonylContact C-O 3.6Å; F531-M648 VanDerWaalsContact CA-O 3.23Å; F531-M648 WeakPolarHBondContact CA-O 3.4Å; F531-D649 HydrophobicContact CD1-CB 4.41Å; F531-D649 HydrophobicContact CD2-CB 4.04Å; F531-D649 HydrophobicContact CE1-CB 4.02Å; F531-D649 HydrophobicContact CE2-CB 3.6Å; F531-D649 HydrophobicContact CG-CB 4.44Å; F531-D649 HydrophobicContact CZ-CB 3.61Å |
| 532 | K | 95.1 | Very high | 94.4 | Very high | 91 Ų | 91 | 46.4 Ų | 46.4 | 40% | 0.396 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 140 | 175.2 | -57.8 | -67.2 | 176.7 | -133.3 | 0 | 110.5 | R529 S530 T534 M648 C650 | R529-K532 PolarHBondContact O-NZ 2.84Å; S530-K532 PolarHBondContact O-N 2.78Å; K532-T534 PolarHBondContact O-N 3.39Å; K532-T534 PolarHBondContact O-OG1 2.83Å; K532-M648 PolarHBondContact N-O 2.91Å; K532-M648 PolarHBondContact O-N 2.91Å; K532-C650 VanDerWaalsContact CB-SG 3.55Å; K532-C650 WeakPolarHBondContact CG-SG 3.36Å |
| 533 | H | 94.3 | Very high | 94.2 | Very high | 28 Ų | 28 | 49.9 Ų | 49.9 | 13% | 0.13 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 119.7 | 171.6 | -171.1 | -167.7 | 0 | 0 | 0 | 109.1 | Y634 D645 V646 M647 G697 I714 | H533-Y634 AromaticContact CE1-CZ 3.94Å; H533-Y634 PolarHBondContact CE1-OH 3.46Å; H533-D645 IonicContact CD2-OD1 3.53Å; H533-D645 PolarHBondContact CD2-OD1 2.04Å; H533-D645 IonicContact CE1-OD1 2.68Å; H533-D645 IonicContact NE2-OD1 2.65Å; H533-D645 PolarHBondContact NE2-OD1 3Å; H533-D645 IonicContact NE2-OD2 3.43Å; H533-V646 CarbonylContact C-O 3.57Å; H533-V646 WeakPolarHBondContact CA-O 3.39Å; H533-M647 HydrophobicContact CB-SD 3.82Å; H533-G697 CarbonylContact O-C 3.52Å; H533-G697 WeakPolarHBondContact O-CA 3.42Å; H533-I714 WeakPolarHBondContact O-CD1 3.49Å |
| 534 | T | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 123.4 | -173.2 | -55.9 | 0 | 0 | 0 | 0 | 107.7 | K532 V646 M648 F658 G697 | K532-T534 PolarHBondContact O-N 3.39Å; K532-T534 PolarHBondContact O-OG1 2.83Å; T534-V646 PolarHBondContact N-O 3.1Å; T534-V646 PolarHBondContact O-N 2.94Å; T534-V646 VanDerWaalsContact O-N 3.08Å; T534-M648 HydrophobicContact CG2-CE 4.09Å; T534-M648 HydrophobicContact CG2-SD 4.28Å; T534-F658 HydrophobicContact CG2-CE1 3.82Å; T534-F658 HydrophobicContact CG2-CZ 4.04Å; T534-G697 PolarHBondContact OG1-N 2.96Å |
| 535 | I | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 135.7 | -179.4 | -60 | 172.7 | 0 | 0 | 0 | 107.9 | F537 Y634 M643 F644 D645 Y698 L699 N700 I714 | I535-F537 HydrophobicContact CG2-CD2 3.93Å; I535-F537 HydrophobicContact CG2-CE2 3.83Å; I535-Y634 HydrophobicContact CD1-CD1 3.63Å; I535-Y634 HydrophobicContact CD1-CD2 3.82Å; I535-Y634 HydrophobicContact CD1-CE1 3.78Å; I535-Y634 HydrophobicContact CD1-CE2 3.98Å; I535-Y634 HydrophobicContact CD1-CG 3.65Å; I535-M643 HydrophobicContact CG2-CG 3.87Å; I535-M643 HydrophobicContact CG2-SD 4.27Å; I535-F644 CarbonylContact C-O 3.49Å; I535-F644 VanDerWaalsContact CA-O 3.31Å; I535-F644 WeakPolarHBondContact CA-O 3.49Å; I535-D645 HydrophobicContact CG1-CB 4.36Å; I535-Y698 PolarHBondContact N-O 3.48Å; I535-L699 HydrophobicContact CB-CB 4.42Å; I535-L699 HydrophobicContact CB-CG 4.22Å; I535-L699 HydrophobicContact CG2-CG 4.27Å; I535-L699 CarbonylContact O-C 3.51Å; I535-L699 WeakPolarHBondContact O-CA 3.45Å; I535-N700 PolarHBondContact O-N 3.18Å; I535-N700 PolarHBondContact O-ND2 3.3Å; I535-I714 HydrophobicContact CB-CD1 4.24Å; I535-I714 HydrophobicContact CD1-CD1 3.92Å; I535-I714 HydrophobicContact CG1-CD1 3.83Å |
| 536 | V | 97.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 123 | 170.7 | -178.7 | 0 | 0 | 0 | 0 | 109 | I538 L550 M619 M643 F644 F658 F660 N700 Y702 | V536-I538 HydrophobicContact CG1-CD1 3.85Å; V536-I538 HydrophobicContact CG1-CG1 4.24Å; V536-L550 HydrophobicContact CB-CD1 4.05Å; V536-L550 HydrophobicContact CG1-CD1 4.05Å; V536-L550 HydrophobicContact CG2-CD1 4.39Å; V536-M619 VanDerWaalsContact O-CE 3.3Å; V536-M619 WeakPolarHBondContact O-CE 3.23Å; V536-M643 CarbonylContact O-C 3.6Å; V536-M643 WeakPolarHBondContact O-CA 3.35Å; V536-F644 HydrophobicContact CB-CB 4.24Å; V536-F644 HydrophobicContact CB-CD1 4.4Å; V536-F644 HydrophobicContact CG2-CD1 4.25Å; V536-F644 PolarHBondContact N-O 3.4Å; V536-F644 PolarHBondContact O-N 2.62Å; V536-F658 HydrophobicContact CG2-CE2 4.21Å; V536-F658 HydrophobicContact CG2-CZ 3.82Å; V536-F660 HydrophobicContact CG1-CE1 4.45Å; V536-F660 HydrophobicContact CG1-CE2 4.21Å; V536-F660 HydrophobicContact CG1-CZ 3.94Å; V536-N700 CarbonylContact C-O 3.56Å; V536-N700 WeakPolarHBondContact CA-O 3.08Å; V536-N700 HydrophobicContact CG2-CB 4.32Å; V536-Y702 HydrophobicContact CG1-CD2 4.05Å; V536-Y702 HydrophobicContact CG1-CE2 4.01Å |
| 537 | F | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.7 | 173.1 | -88.9 | -63.7 | 0 | 0 | 0 | 110.3 | I535 T622 Y634 N635 Y637 F641 W642 M643 L699 N700 V701 Y702 | I535-F537 HydrophobicContact CG2-CD2 3.93Å; I535-F537 HydrophobicContact CG2-CE2 3.83Å; F537-T622 HydrophobicContact CE1-CG2 4.36Å; F537-Y634 WeakPolarHBondContact CE2-O 3.22Å; F537-N635 HydrophobicContact CE1-CB 3.94Å; F537-N635 HydrophobicContact CZ-CB 3.84Å; F537-Y637 HydrophobicContact CD2-CD2 4.2Å; F537-Y637 AromaticContact CD2-CE2 3.8Å; F537-Y637 HydrophobicContact CD2-CE2 3.8Å; F537-Y637 HydrophobicContact CE2-CE2 4.14Å; F537-Y637 HydrophobicContact CG-CD2 4.42Å; F537-Y637 HydrophobicContact CG-CE2 4.41Å; F537-F641 HydrophobicContact CB-CD1 3.96Å; F537-F641 HydrophobicContact CD1-CB 3.91Å; F537-F641 HydrophobicContact CD1-CD1 4.28Å; F537-F641 HydrophobicContact CE1-CB 4.37Å; F537-F641 HydrophobicContact CG-CD1 4.41Å; F537-W642 CarbonylContact C-O 3.45Å; F537-W642 VanDerWaalsContact CA-O 3.25Å; F537-W642 WeakPolarHBondContact CA-O 3.43Å; F537-M643 HydrophobicContact CD1-CB 3.94Å; F537-M643 HydrophobicContact CD1-CG 4.12Å; F537-M643 HydrophobicContact CE1-CB 3.52Å; F537-M643 HydrophobicContact CE1-CG 3.6Å; F537-M643 HydrophobicContact CE1-SD 3.97Å; F537-M643 HydrophobicContact CE2-CG 4.27Å; F537-M643 HydrophobicContact CE2-SD 4.29Å; F537-M643 HydrophobicContact CZ-CB 4.11Å; F537-M643 HydrophobicContact CZ-CG 3.67Å; F537-M643 HydrophobicContact CZ-SD 3.56Å; F537-M643 VanDerWaalsContact CZ-SD 3.56Å; F537-L699 HydrophobicContact CD2-CD2 4.1Å; F537-L699 HydrophobicContact CD2-CG 4.3Å; F537-L699 HydrophobicContact CE2-CD1 4.36Å; F537-N700 PolarHBondContact N-O 3.07Å; F537-V701 HydrophobicContact CB-CG1 4.24Å; F537-V701 CarbonylContact O-C 3.58Å; F537-Y702 PolarHBondContact O-N 2.75Å |
| 538 | I | 96.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 116.9 | 174.6 | -54.5 | -59.9 | 0 | 0 | 0 | 109 | V536 K540 L550 M619 F641 W642 F660 A662 Y702 F704 | V536-I538 HydrophobicContact CG1-CD1 3.85Å; V536-I538 HydrophobicContact CG1-CG1 4.24Å; I538-K540 HydrophobicContact CG2-CB 4.47Å; I538-K540 PolarHBondContact O-N 2.8Å; I538-L550 HydrophobicContact CG1-CD2 4.27Å; I538-M619 HydrophobicContact CB-CE 4.24Å; I538-M619 HydrophobicContact CB-SD 4.21Å; I538-M619 HydrophobicContact CG1-CE 3.67Å; I538-M619 HydrophobicContact CG1-SD 3.7Å; I538-F641 WeakPolarHBondContact O-CA 3.28Å; I538-W642 PolarHBondContact N-O 3.14Å; I538-W642 PolarHBondContact O-N 2.88Å; I538-F660 HydrophobicContact CD1-CE2 3.8Å; I538-F660 HydrophobicContact CD1-CZ 4.23Å; I538-A662 HydrophobicContact CB-CB 4.48Å; I538-A662 HydrophobicContact CD1-CB 4.17Å; I538-A662 HydrophobicContact CG1-CB 3.9Å; I538-A662 HydrophobicContact CG2-CB 3.92Å; I538-Y702 HydrophobicContact CD1-CD2 3.8Å; I538-Y702 HydrophobicContact CD1-CG 3.98Å; I538-F704 HydrophobicContact CG2-CB 4.02Å; I538-F704 HydrophobicContact CG2-CD2 4.08Å |
| 539 | R | 96 | Very high | 94.3 | Very high | 103 Ų | 103 | 55.9 Ų | 55.9 | 39% | 0.389 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 111.6 | 168.9 | -167.8 | 175.5 | 165.5 | -90.5 | -6.4 | 109.8 | H640 F641 Y702 D703 F704 | R539-H640 CarbonylContact C-O 3.57Å; R539-H640 VanDerWaalsContact CA-O 3.29Å; R539-H640 WeakPolarHBondContact CA-O 3.38Å; R539-F641 HydrophobicContact CB-CD1 3.98Å; R539-F641 HydrophobicContact CB-CD2 4.4Å; R539-F641 HydrophobicContact CB-CE1 3.57Å; R539-F641 HydrophobicContact CB-CE2 3.99Å; R539-F641 HydrophobicContact CB-CG 4.41Å; R539-F641 HydrophobicContact CB-CZ 3.58Å; R539-F641 HydrophobicContact CG-CD2 4.25Å; R539-F641 HydrophobicContact CG-CE1 4.32Å; R539-F641 HydrophobicContact CG-CE2 3.82Å; R539-F641 HydrophobicContact CG-CZ 3.89Å; R539-Y702 PolarHBondContact N-O 3.01Å; R539-D703 HydrophobicContact CB-CB 4.38Å; R539-D703 WeakPolarHBondContact CD-OD2 3.36Å; R539-D703 IonicContact CZ-OD2 2.67Å; R539-D703 IonicContact NH1-OD2 3.78Å; R539-D703 PolarHBondContact NH1-OD2 2.93Å; R539-F704 WeakPolarHBondContact O-CB 3.28Å; R539-F704 PolarHBondContact O-N 3.33Å |
| 540 | K | 95.6 | Very high | 94.6 | Very high | 29 Ų | 29 | 44.5 Ų | 44.5 | 13% | 0.126 | 21% | 0.214 | C | C | . | . | trans | -146.4 | 112.9 | 174.2 | 176.1 | 51.9 | 169 | 166.9 | 0 | 108.6 | I538 T542 V548 H640 W642 T664 Q668 F704 | I538-K540 HydrophobicContact CG2-CB 4.47Å; I538-K540 PolarHBondContact O-N 2.8Å; K540-T542 HydrophobicContact CG-CG2 3.82Å; K540-T542 PolarHBondContact O-N 3.06Å; K540-V548 HydrophobicContact CB-CG2 4.27Å; K540-V548 HydrophobicContact CG-CG2 4.05Å; K540-H640 PolarHBondContact N-O 2.89Å; K540-W642 PolarHBondContact O-NE1 2.92Å; K540-T664 HydrophobicContact CG-CG2 4.34Å; K540-Q668 VanDerWaalsContact NZ-OE1 3.11Å; K540-F704 HydrophobicContact CB-CB 3.85Å; K540-F704 HydrophobicContact CB-CD2 4.12Å; K540-F704 HydrophobicContact CB-CG 4.1Å; K540-F704 HydrophobicContact CD-CB 4.05Å; K540-F704 HydrophobicContact CD-CD1 3.78Å; K540-F704 HydrophobicContact CD-CD2 4.14Å; K540-F704 HydrophobicContact CD-CE1 4.25Å; K540-F704 HydrophobicContact CD-CG 3.73Å; K540-F704 HydrophobicContact CG-CB 4.3Å; K540-F704 HydrophobicContact CG-CD2 4.05Å; K540-F704 HydrophobicContact CG-CG 4.07Å | ||
| 541 | E | 94.4 | Very high | 94.7 | Very high | 133 Ų | 133 | 46.1 Ų | 46.1 | 62% | 0.621 | 22% | 0.215 | S | C | * | . | trans | -66.8 | 121.1 | 167.9 | -173.3 | 170 | -170.3 | 0 | 0 | 108.7 | H640 | E541-H640 HydrophobicContact CB-CB 4.43Š| ||
| 542 | T | 93.9 | Very high | 94.7 | Very high | 24 Ų | 24 | 45.5 Ų | 45.5 | 15% | 0.147 | 21% | 0.213 | C | C | . | . | trans | -121.3 | 157.5 | 179.5 | 54.6 | 0 | 0 | 0 | 0 | 109.9 | K540 Q546 V548 W621 W642 | K540-T542 HydrophobicContact CG-CG2 3.82Å; K540-T542 PolarHBondContact O-N 3.06Å; T542-Q546 VanDerWaalsContact CA-OE1 3.28Å; T542-Q546 HydrophobicContact CG2-CB 4.47Å; T542-Q546 HydrophobicContact CG2-CG 4.26Å; T542-V548 HydrophobicContact CG2-CG2 4.03Å; T542-W621 WeakPolarHBondContact OG1-CZ3 3.43Å; T542-W642 HydrophobicContact CG2-CZ2 3.67Å; T542-W642 WeakPolarHBondContact OG1-CZ2 3.44Å | ||
| 543 | I | 91.4 | Very high | 94.7 | Very high | 131 Ų | 131 | 41.2 Ų | 41.2 | 67% | 0.672 | 19% | 0.194 | S | C | * | . | trans | -88.8 | 162.6 | 168 | 60.2 | 173.4 | 0 | 0 | 0 | 110.3 | G545 Q546 | I543-G545 PolarHBondContact O-N 3.44Å; I543-Q546 HydrophobicContact CG1-CB 3.94Å; I543-Q546 WeakPolarHBondContact O-CB 3.21Å; I543-Q546 PolarHBondContact O-N 2.85Å | ||
| 544 | Y | 86.6 | Confident | 94.7 | Very high | 239 Ų | 239 | 40.1 Ų | 40.1 | 94% | 0.937 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 129.1 | 175.3 | -176.1 | -93.1 | 0 | 0 | 0 | 110.9 | ||
| 545 | G | 87.7 | Confident | 94.4 | Very high | 49 Ų | 49 | 43.2 Ų | 43.2 | 51% | 0.505 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86 | -2.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | I543 H547 | I543-G545 PolarHBondContact O-N 3.44Å; G545-H547 PolarHBondContact O-CD2 3.25Å |
| 546 | Q | 93.8 | Very high | 93.9 | Very high | 26 Ų | 26 | 49.9 Ų | 49.9 | 12% | 0.121 | 23% | 0.233 | C | C | . | . | trans | -92.5 | 131.6 | 170.9 | -171.9 | -174.4 | 31.7 | 0 | 0 | 110.1 | T542 I543 W642 D665 D666 | T542-Q546 VanDerWaalsContact CA-OE1 3.28Å; T542-Q546 HydrophobicContact CG2-CB 4.47Å; T542-Q546 HydrophobicContact CG2-CG 4.26Å; I543-Q546 HydrophobicContact CG1-CB 3.94Å; I543-Q546 WeakPolarHBondContact O-CB 3.21Å; I543-Q546 PolarHBondContact O-N 2.85Å; Q546-W642 WeakPolarHBondContact O-CH2 3.34Å; Q546-W642 WeakPolarHBondContact O-CZ2 3.43Å; Q546-D665 WeakPolarHBondContact CA-OD2 3.09Å; Q546-D665 WeakPolarHBondContact CG-OD1 3.4Å; Q546-D666 PolarHBondContact NE2-OD1 2.98Å | ||
| 547 | H | 94.9 | Very high | 93.3 | Very high | 32 Ų | 32 | 54.6 Ų | 54.6 | 15% | 0.148 | 26% | 0.255 | C | S | . | . | trans | -116.8 | 153.1 | -176.2 | -61.1 | -86.6 | 0 | 0 | 0 | 112.8 | G545 F549 W590 T664 D665 | G545-H547 PolarHBondContact O-CD2 3.25Å; H547-F549 HydrophobicContact CB-CE2 3.76Å; H547-F549 HydrophobicContact CB-CZ 4.16Å; H547-W590 HydrophobicContact CB-CZ3 4.06Å; H547-W590 AromaticContact CD2-CH2 3.88Å; H547-W590 AromaticContact CD2-CZ3 3.85Å; H547-W590 AromaticContact CG-CZ3 3.69Å; H547-W590 AromaticContact ND1-CZ3 3.97Å; H547-T664 WeakPolarHBondContact O-CA 3.38Å; H547-D665 IonicContact CD2-OD2 3.21Å; H547-D665 PolarHBondContact N-OD2 3.22Å; H547-D665 PolarHBondContact O-N 3.15Å; H547-D665 VanDerWaalsContact O-N 3.1Å | ||
| 548 | V | 96.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 137.9 | 175.3 | -178 | 0 | 0 | 0 | 0 | 110 | K540 T542 M619 W642 A662 I663 T664 | K540-V548 HydrophobicContact CB-CG2 4.27Å; K540-V548 HydrophobicContact CG-CG2 4.05Å; T542-V548 HydrophobicContact CG2-CG2 4.03Å; V548-M619 HydrophobicContact CB-SD 4.43Å; V548-M619 HydrophobicContact CG1-CG 4.31Å; V548-M619 HydrophobicContact CG1-SD 3.65Å; V548-M619 WeakPolarHBondContact O-CB 3.46Å; V548-M619 PolarHBondContact O-N 3.09Å; V548-W642 HydrophobicContact CB-CB 4.28Å; V548-W642 HydrophobicContact CB-CD2 3.68Å; V548-W642 HydrophobicContact CB-CE3 4.11Å; V548-W642 HydrophobicContact CB-CG 3.77Å; V548-W642 HydrophobicContact CG1-CG 4.42Å; V548-W642 HydrophobicContact CG2-CD2 3.7Å; V548-W642 VanDerWaalsContact CG2-CE2 3.43Å; V548-W642 HydrophobicContact CG2-CE3 4.49Å; V548-W642 HydrophobicContact CG2-CG 3.77Å; V548-W642 HydrophobicContact CG2-CZ2 4.06Å; V548-A662 HydrophobicContact CG1-CB 4.26Å; V548-I663 CarbonylContact C-O 3.6Å; V548-I663 WeakPolarHBondContact CA-O 3.41Å; V548-T664 HydrophobicContact CG2-CG2 4.18Å |
| 549 | F | 96.9 | Very high | 92.4 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 1% | 0.013 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 155.8 | 179.2 | -59.5 | -98.5 | 0 | 0 | 0 | 110.2 | H547 W590 A614 I615 S617 P618 A662 I663 D665 | H547-F549 HydrophobicContact CB-CE2 3.76Å; H547-F549 HydrophobicContact CB-CZ 4.16Å; F549-W590 HydrophobicContact CE1-CD2 4.19Å; F549-W590 AromaticContact CE1-CE3 3.85Å; F549-W590 HydrophobicContact CE1-CE3 3.85Å; F549-W590 HydrophobicContact CE1-CZ3 4.19Å; F549-W590 HydrophobicContact CZ-CD2 4.23Å; F549-W590 AromaticContact CZ-CE3 3.71Å; F549-W590 HydrophobicContact CZ-CE3 3.71Å; F549-W590 AromaticContact CZ-CH2 3.96Å; F549-W590 HydrophobicContact CZ-CH2 3.96Å; F549-W590 HydrophobicContact CZ-CZ2 4.45Å; F549-W590 AromaticContact CZ-CZ3 3.56Å; F549-W590 HydrophobicContact CZ-CZ3 3.56Å; F549-A614 HydrophobicContact CD1-CB 4.34Å; F549-A614 HydrophobicContact CE1-CB 3.83Å; F549-I615 HydrophobicContact CB-CG1 4.06Å; F549-I615 HydrophobicContact CD1-CG1 4.09Å; F549-I615 HydrophobicContact CD2-CD1 3.78Å; F549-I615 HydrophobicContact CD2-CG1 3.37Å; F549-I615 HydrophobicContact CE1-CG1 4.41Å; F549-I615 HydrophobicContact CE2-CD1 4.24Å; F549-I615 HydrophobicContact CE2-CG1 3.75Å; F549-I615 HydrophobicContact CG-CD1 4.33Å; F549-I615 HydrophobicContact CG-CG1 3.57Å; F549-I615 HydrophobicContact CZ-CG1 4.25Å; F549-S617 CarbonylContact C-O 3.47Å; F549-S617 WeakPolarHBondContact CA-O 3.32Å; F549-P618 HydrophobicContact CD1-CB 4Å; F549-P618 HydrophobicContact CE1-CB 3.89Å; F549-A662 CarbonylContact O-C 3.56Å; F549-A662 WeakPolarHBondContact O-CA 3.23Å; F549-I663 PolarHBondContact N-O 3.47Å; F549-I663 PolarHBondContact O-N 2.96Å; F549-D665 HydrophobicContact CE2-CB 4.19Å |
| 550 | L | 96.7 | Very high | 92 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 133.4 | 165.4 | -66 | -174 | 0 | 0 | 0 | 110.6 | V536 I538 L597 S617 M619 F644 F660 A662 | V536-L550 HydrophobicContact CB-CD1 4.05Å; V536-L550 HydrophobicContact CG1-CD1 4.05Å; V536-L550 HydrophobicContact CG2-CD1 4.39Å; I538-L550 HydrophobicContact CG1-CD2 4.27Å; L550-L597 HydrophobicContact CB-CD1 3.95Å; L550-S617 PolarHBondContact N-O 2.93Å; L550-S617 PolarHBondContact O-N 3.46Å; L550-M619 HydrophobicContact CD1-CE 4.21Å; L550-M619 HydrophobicContact CD1-SD 4.32Å; L550-M619 HydrophobicContact CD2-CE 4.38Å; L550-M619 HydrophobicContact CD2-SD 3.69Å; L550-M619 HydrophobicContact CG-CE 4.23Å; L550-M619 HydrophobicContact CG-CG 3.94Å; L550-M619 HydrophobicContact CG-SD 3.69Å; L550-F644 HydrophobicContact CD1-CB 3.58Å; L550-F644 HydrophobicContact CD1-CD1 3.66Å; L550-F644 HydrophobicContact CD1-CD2 4.26Å; L550-F644 HydrophobicContact CD1-CE1 4.35Å; L550-F644 HydrophobicContact CD1-CG 3.59Å; L550-F644 HydrophobicContact CG-CB 4.44Å; L550-F660 HydrophobicContact CD2-CD2 3.69Å; L550-F660 HydrophobicContact CD2-CE2 4.08Å; L550-A662 HydrophobicContact CD2-CB 3.9Å |
| 551 | R | 95.9 | Very high | 91.7 | Very high | 67 Ų | 67 | 58.7 Ų | 58.7 | 25% | 0.253 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 138.8 | 157.8 | -70.1 | -171.9 | -174.7 | 172.1 | -0.4 | 108.3 | N598 W599 I615 F660 K661 I663 | R551-N598 WeakPolarHBondContact CA-O 3.49Å; R551-W599 HydrophobicContact CB-CE3 4.17Å; R551-I615 VanDerWaalsContact CZ-O 3.24Å; R551-I615 PolarHBondContact NE-O 2.69Å; R551-I615 PolarHBondContact NH2-O 2.91Å; R551-F660 CarbonylContact O-C 3.56Å; R551-F660 WeakPolarHBondContact O-CA 3.24Å; R551-F660 VanDerWaalsContact O-CB 3.28Å; R551-F660 WeakPolarHBondContact O-CB 3.38Å; R551-K661 PolarHBondContact N-O 3.09Å; R551-K661 PolarHBondContact O-N 3.4Å; R551-I663 HydrophobicContact CB-CD1 4.11Å; R551-I663 HydrophobicContact CG-CD1 3.79Å |
| 552 | G | 95.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.1 | -168.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L597 N598 W599 E659 | G552-L597 CarbonylContact O-C 3.55Å; G552-L597 VanDerWaalsContact O-C 3.32Å; G552-N598 PolarHBondContact N-O 3.35Å; G552-N598 VanDerWaalsContact N-O 3.09Å; G552-N598 CarbonylContact O-C 3.53Å; G552-N598 WeakPolarHBondContact O-CA 3.36Å; G552-N598 PolarHBondContact O-N 2.86Å; G552-N598 VanDerWaalsContact O-N 3.16Å; G552-W599 PolarHBondContact O-N 2.78Å; G552-W599 VanDerWaalsContact O-N 3.14Å; G552-E659 CarbonylContact C-O 3.52Å; G552-E659 WeakPolarHBondContact CA-O 3.44Å |
| 553 | G | 95.4 | Very high | 91 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.3 | -144.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | C570 E659 | G553-C570 CarbonylContact C-O 3.54Å; G553-C570 WeakPolarHBondContact CA-O 3.38Å; G553-E659 PolarHBondContact N-O 3.06Å; G553-E659 PolarHBondContact O-N 3.46Å |
| 554 | V | 93.4 | Very high | 90.5 | Very high | 6 Ų | 6 | 55.4 Ų | 55.4 | 4% | 0.036 | 30% | 0.295 | C | S | . | . | trans | -107.9 | 161.8 | 163.7 | -68.4 | 0 | 0 | 0 | 0 | 109.6 | A559 C562 C570 I572 W599 K652 | V554-A559 HydrophobicContact CB-CB 3.91Å; V554-A559 HydrophobicContact CG2-CB 3.49Å; V554-A559 VanDerWaalsContact CG2-CB 3.49Å; V554-C562 PolarHBondContact O-SG 3.17Å; V554-C570 PolarHBondContact N-O 3.12Å; V554-I572 HydrophobicContact CG1-CD1 4.36Å; V554-W599 PolarHBondContact O-NE1 2.68Å; V554-W599 VanDerWaalsContact O-NE1 3.15Å; V554-K652 WeakPolarHBondContact CG1-O 3.21Å | ||
| 555 | M | 90.4 | Very high | 90.5 | Very high | 64 Ų | 64 | 49 Ų | 49 | 32% | 0.315 | 29% | 0.285 | S | S | . | . | trans | -117.3 | 163.9 | -179.6 | -71.9 | -67.7 | -83 | 0 | 0 | 110.5 | H557 T558 A559 W599 E659 | M555-H557 VanDerWaalsContact CB-CE1 3.47Å; M555-H557 WeakPolarHBondContact CB-CE1 3.25Å; M555-H557 WeakPolarHBondContact CB-ND1 3.24Å; M555-H557 PolarHBondContact O-N 2.73Å; M555-T558 PolarHBondContact N-OG1 2.96Å; M555-T558 PolarHBondContact O-N 2.88Å; M555-T558 PolarHBondContact O-OG1 3.06Å; M555-A559 PolarHBondContact O-N 3.18Å; M555-W599 HydrophobicContact CG-CZ2 4.01Å; M555-W599 HydrophobicContact SD-CD2 4.32Å; M555-W599 HydrophobicContact SD-CZ2 3.95Å; M555-W599 PolarHBondContact SD-NE1 3.08Å; M555-W599 VanDerWaalsContact SD-NE1 3.44Å; M555-E659 WeakPolarHBondContact CB-OE1 3.48Å; M555-E659 VanDerWaalsContact CG-OE2 3.23Å; M555-E659 WeakPolarHBondContact CG-OE2 3.46Å | ||
| 556 | K | 85.6 | Confident | 90.5 | Very high | 140 Ų | 140 | 50 Ų | 50 | 61% | 0.609 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -35.4 | -178.8 | -175.2 | -177.6 | 173 | -171.2 | 0 | 113.9 | T558 A559 P560 C562 | K556-T558 VanDerWaalsContact C-N 3.28Å; K556-T558 PolarHBondContact O-N 3.1Å; K556-A559 WeakPolarHBondContact CA-O 3.29Å; K556-A559 CarbonylContact O-C 3.6Å; K556-P560 WeakPolarHBondContact O-CA 3.27Å; K556-C562 WeakPolarHBondContact CB-O 3.49Å |
| 557 | H | 85.8 | Confident | 90.1 | Very high | 100 Ų | 100 | 51.3 Ų | 51.3 | 46% | 0.463 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -22.9 | -177.1 | 66.8 | -91.1 | 0 | 0 | 0 | 113.1 | M555 E659 Y687 | M555-H557 VanDerWaalsContact CB-CE1 3.47Å; M555-H557 WeakPolarHBondContact CB-CE1 3.25Å; M555-H557 WeakPolarHBondContact CB-ND1 3.24Å; M555-H557 PolarHBondContact O-N 2.73Å; H557-E659 IonicContact CE1-OE1 3.77Å; H557-E659 PolarHBondContact CE1-OE1 2.98Å; H557-E659 IonicContact CE1-OE2 3.94Å; H557-E659 IonicContact NE2-OE1 2.77Å; H557-E659 PolarHBondContact NE2-OE1 3.33Å; H557-Y687 AromaticContact CD2-CD2 3.83Å; H557-Y687 AromaticContact NE2-CD2 3.27Å; H557-Y687 VanDerWaalsContact NE2-CD2 3.27Å; H557-Y687 WeakPolarHBondContact NE2-CD2 3.39Å; H557-Y687 AromaticContact NE2-CE2 3.33Å; H557-Y687 VanDerWaalsContact NE2-CE2 3.33Å; H557-Y687 WeakPolarHBondContact NE2-CE2 3.49Å |
| 558 | T | 86.2 | Confident | 89.8 | Confident | 37 Ų | 37 | 53.5 Ų | 53.5 | 23% | 0.227 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -25.3 | 178 | 46 | 0 | 0 | 0 | 0 | 113.4 | M555 K556 A654 Y687 | M555-T558 PolarHBondContact N-OG1 2.96Å; M555-T558 PolarHBondContact O-N 2.88Å; M555-T558 PolarHBondContact O-OG1 3.06Å; K556-T558 VanDerWaalsContact C-N 3.28Å; K556-T558 PolarHBondContact O-N 3.1Å; T558-A654 HydrophobicContact CG2-CB 3.9Å; T558-Y687 HydrophobicContact CG2-CD1 3.66Å; T558-Y687 HydrophobicContact CG2-CD2 3.76Å; T558-Y687 HydrophobicContact CG2-CE1 3.43Å; T558-Y687 VanDerWaalsContact CG2-CE1 3.43Å; T558-Y687 HydrophobicContact CG2-CE2 3.47Å; T558-Y687 VanDerWaalsContact CG2-CE2 3.47Å; T558-Y687 HydrophobicContact CG2-CG 3.84Å |
| 559 | A | 87.4 | Confident | 89.5 | Confident | 22 Ų | 22 | 55 Ų | 55 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | trans | -134.5 | 93.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | V554 M555 K556 A561 C562 | V554-A559 HydrophobicContact CB-CB 3.91Å; V554-A559 HydrophobicContact CG2-CB 3.49Å; V554-A559 VanDerWaalsContact CG2-CB 3.49Å; M555-A559 PolarHBondContact O-N 3.18Å; K556-A559 WeakPolarHBondContact CA-O 3.29Å; K556-A559 CarbonylContact O-C 3.6Å; A559-A561 PolarHBondContact O-N 3.18Å; A559-C562 HydrophobicContact CB-CB 4.18Å; A559-C562 WeakPolarHBondContact O-CB 3.31Å; A559-C562 PolarHBondContact O-N 2.9Å | ||
| 560 | P | 87.8 | Confident | 89.4 | Confident | 98 Ų | 98 | 55 Ų | 55 | 64% | 0.636 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -22 | -175.4 | -28.8 | 36 | 0 | 0 | 0 | 115.7 | K556 C562 K563 | K556-P560 WeakPolarHBondContact O-CA 3.27Å; P560-C562 VanDerWaalsContact C-N 3.34Å; P560-K563 WeakPolarHBondContact O-CE 3.27Å |
| 561 | A | 88.8 | Confident | 89.3 | Confident | 62 Ų | 62 | 55.6 Ų | 55.6 | 51% | 0.512 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -24.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A559 K563 A569 | A559-A561 PolarHBondContact O-N 3.18Å; A561-K563 PolarHBondContact O-N 2.74Å; A561-A569 HydrophobicContact CB-CB 3.97Å; A561-A569 WeakPolarHBondContact O-CB 3.13Å |
| 562 | C | 88.7 | Confident | 89.3 | Confident | 6 Ų | 6 | 52.4 Ų | 52.4 | 4% | 0.041 | 32% | 0.319 | C | S | . | . | trans | -67.3 | 112.4 | 174.1 | 167.7 | 0 | 0 | 0 | 0 | 110.1 | V554 K556 A559 P560 C570 | V554-C562 PolarHBondContact O-SG 3.17Å; K556-C562 WeakPolarHBondContact CB-O 3.49Å; A559-C562 HydrophobicContact CB-CB 4.18Å; A559-C562 WeakPolarHBondContact O-CB 3.31Å; A559-C562 PolarHBondContact O-N 2.9Å; P560-C562 VanDerWaalsContact C-N 3.34Å; C562-C570 VanDerWaalsContact C-SG 3.59Å; C562-C570 WeakPolarHBondContact CA-SG 3.38Å; C562-C570 HydrophobicContact CB-CB 3.87Å; C562-C570 WeakPolarHBondContact CB-SG 3.2Å; C562-C570 VanDerWaalsContact SG-CA 3.55Å; C562-C570 WeakPolarHBondContact SG-CB 3.37Å; C562-C570 CovalentContact SG-SG 2.03Å; C562-C570 PolarHBondContact SG-SG 3.42Å | ||
| 563 | K | 86.2 | Confident | 89.2 | Confident | 108 Ų | 108 | 55.4 Ų | 55.4 | 47% | 0.47 | 33% | 0.331 | S | S | . | . | B | Isolated β-bridge | trans | -145.1 | 158.6 | 178.2 | -62.6 | 179.8 | -174.6 | 174 | 0 | 108.5 | P560 A561 S565 N566 | P560-K563 WeakPolarHBondContact O-CE 3.27Å; A561-K563 PolarHBondContact O-N 2.74Å; K563-S565 PolarHBondContact O-N 2.91Å; K563-N566 CarbonylContact O-C 3.6Å; K563-N566 WeakPolarHBondContact O-CA 3.34Å; K563-N566 PolarHBondContact O-N 2.92Å |
| 564 | S | 81.5 | Confident | 89.2 | Confident | 104 Ų | 104 | 55.4 Ų | 55.4 | 73% | 0.727 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -30.4 | 172.2 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | N566 P567 | S564-N566 VanDerWaalsContact C-N 3.28Å; S564-N566 PolarHBondContact O-N 2.73Å; S564-P567 WeakPolarHBondContact O-CD 3.28Å; S564-P567 WeakPolarHBondContact O-CG 3.32Å |
| 565 | S | 86.1 | Confident | 89.2 | Confident | 104 Ų | 104 | 55.2 Ų | 55.2 | 73% | 0.727 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -9.5 | 173.9 | 66.7 | 0 | 0 | 0 | 0 | 114.2 | K563 | K563-S565 PolarHBondContact O-N 2.91Š|
| 566 | N | 87.5 | Confident | 89.2 | Confident | 70 Ų | 70 | 53 Ų | 53 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | B | Isolated β-bridge | trans | -139.1 | 67.5 | 175.5 | -172.2 | 6 | 0 | 0 | 0 | 110.9 | K563 S564 A568 A569 | K563-N566 CarbonylContact O-C 3.6Å; K563-N566 WeakPolarHBondContact O-CA 3.34Å; K563-N566 PolarHBondContact O-N 2.92Å; S564-N566 VanDerWaalsContact C-N 3.28Å; S564-N566 PolarHBondContact O-N 2.73Å; N566-A568 PolarHBondContact O-N 3.11Å; N566-A569 HydrophobicContact CB-CB 4.39Å; N566-A569 VanDerWaalsContact ND2-CB 3.32Å; N566-A569 WeakPolarHBondContact ND2-CB 3.25Å; N566-A569 PolarHBondContact O-N 3.01Å; N566-A569 VanDerWaalsContact O-N 3.08Å; N566-A569 PolarHBondContact OD1-N 3.02Å |
| 567 | P | 85.4 | Confident | 89.3 | Confident | 54 Ų | 54 | 47.1 Ų | 47.1 | 35% | 0.351 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -52.7 | -37.2 | 179.8 | -31.5 | 40.1 | 0 | 0 | 0 | 113.9 | S564 A569 C570 A571 F600 | S564-P567 WeakPolarHBondContact O-CD 3.28Å; S564-P567 WeakPolarHBondContact O-CG 3.32Å; P567-A569 PolarHBondContact O-N 3.04Å; P567-C570 WeakPolarHBondContact O-CA 3.34Å; P567-C570 VanDerWaalsContact O-CB 3.3Å; P567-C570 WeakPolarHBondContact O-CB 3.37Å; P567-C570 PolarHBondContact O-N 2.88Å; P567-A571 PolarHBondContact O-N 3.13Å; P567-F600 VanDerWaalsContact CA-CE2 3.49Å; P567-F600 HydrophobicContact CB-CD2 3.59Å; P567-F600 HydrophobicContact CB-CE1 4.37Å; P567-F600 HydrophobicContact CB-CE2 3.37Å; P567-F600 HydrophobicContact CB-CG 4.2Å; P567-F600 HydrophobicContact CB-CZ 3.79Å; P567-F600 HydrophobicContact CG-CD1 4.45Å; P567-F600 HydrophobicContact CG-CD2 4.3Å; P567-F600 HydrophobicContact CG-CE1 4.09Å; P567-F600 HydrophobicContact CG-CE2 3.95Å; P567-F600 HydrophobicContact CG-CZ 3.82Å |
| 568 | A | 87.6 | Confident | 88.8 | Confident | 79 Ų | 79 | 42.4 Ų | 42.4 | 65% | 0.653 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -61.9 | -30.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | N566 C570 A571 | N566-A568 PolarHBondContact O-N 3.11Å; A568-C570 PolarHBondContact O-N 3.02Å; A568-A571 PolarHBondContact O-N 3.11Å |
| 569 | A | 91.5 | Very high | 87.9 | Confident | 30 Ų | 30 | 41 Ų | 41 | 25% | 0.248 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -75.4 | -13 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A561 N566 P567 | A561-A569 HydrophobicContact CB-CB 3.97Å; A561-A569 WeakPolarHBondContact O-CB 3.13Å; N566-A569 HydrophobicContact CB-CB 4.39Å; N566-A569 VanDerWaalsContact ND2-CB 3.32Å; N566-A569 WeakPolarHBondContact ND2-CB 3.25Å; N566-A569 PolarHBondContact O-N 3.01Å; N566-A569 VanDerWaalsContact O-N 3.08Å; N566-A569 PolarHBondContact OD1-N 3.02Å; P567-A569 PolarHBondContact O-N 3.04Å |
| 570 | C | 93.6 | Very high | 86.4 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 3% | 0.027 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -23.9 | 172.4 | -53.7 | 0 | 0 | 0 | 0 | 112.5 | G553 V554 C562 P567 A568 F600 | G553-C570 CarbonylContact C-O 3.54Å; G553-C570 WeakPolarHBondContact CA-O 3.38Å; V554-C570 PolarHBondContact N-O 3.12Å; C562-C570 VanDerWaalsContact C-SG 3.59Å; C562-C570 WeakPolarHBondContact CA-SG 3.38Å; C562-C570 HydrophobicContact CB-CB 3.87Å; C562-C570 WeakPolarHBondContact CB-SG 3.2Å; C562-C570 VanDerWaalsContact SG-CA 3.55Å; C562-C570 WeakPolarHBondContact SG-CB 3.37Å; C562-C570 CovalentContact SG-SG 2.03Å; C562-C570 PolarHBondContact SG-SG 3.42Å; P567-C570 WeakPolarHBondContact O-CA 3.34Å; P567-C570 VanDerWaalsContact O-CB 3.3Å; P567-C570 WeakPolarHBondContact O-CB 3.37Å; P567-C570 PolarHBondContact O-N 2.88Å; A568-C570 PolarHBondContact O-N 3.02Å; C570-F600 HydrophobicContact CB-CE2 4.46Å |
| 571 | A | 94.8 | Very high | 84.9 | Confident | 13 Ų | 13 | 37.9 Ų | 37.9 | 11% | 0.107 | 24% | 0.242 | C | C | . | . | trans | -80.5 | 145.2 | -172 | 0 | 0 | 0 | 0 | 0 | 112.4 | P567 A568 Y596 L597 N598 | P567-A571 PolarHBondContact O-N 3.13Å; A568-A571 PolarHBondContact O-N 3.11Å; A571-Y596 HydrophobicContact CB-CD1 4.08Å; A571-Y596 HydrophobicContact CB-CG 4.38Å; A571-L597 WeakPolarHBondContact CA-O 3.12Å; A571-N598 HydrophobicContact CB-CB 3.98Å | ||
| 572 | I | 96.1 | Very high | 84 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 124.8 | 174.2 | -62.5 | 166.5 | 0 | 0 | 0 | 108 | V554 Y596 L597 M648 K652 T653 F658 | V554-I572 HydrophobicContact CG1-CD1 4.36Å; I572-Y596 CarbonylContact O-C 3.34Å; I572-Y596 VanDerWaalsContact O-CA 3.28Å; I572-Y596 WeakPolarHBondContact O-CA 3.29Å; I572-L597 PolarHBondContact N-O 2.89Å; I572-L597 PolarHBondContact O-N 2.75Å; I572-M648 HydrophobicContact CG2-CG 3.47Å; I572-M648 VanDerWaalsContact CG2-CG 3.47Å; I572-M648 HydrophobicContact CG2-SD 4.15Å; I572-K652 HydrophobicContact CB-CB 4.41Å; I572-K652 HydrophobicContact CG1-CB 4.07Å; I572-K652 HydrophobicContact CG2-CB 4.24Å; I572-T653 HydrophobicContact CD1-CG2 4.01Å; I572-F658 HydrophobicContact CD1-CB 3.41Å; I572-F658 VanDerWaalsContact CD1-CB 3.41Å; I572-F658 HydrophobicContact CD1-CG 4.4Å |
| 573 | R | 94.4 | Very high | 83.3 | Confident | 63 Ų | 63 | 41.4 Ų | 41.4 | 24% | 0.238 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 135.8 | 176.9 | -172.2 | 169.2 | -179.2 | 162.9 | 5.5 | 110.8 | F531 N595 Y596 D649 | F531-R573 HydrophobicContact CE1-CG 4.31Å; F531-R573 HydrophobicContact CZ-CB 4.18Å; F531-R573 HydrophobicContact CZ-CG 3.93Å; R573-N595 WeakPolarHBondContact CA-O 3.49Å; R573-Y596 HydrophobicContact CB-CD1 4.04Å; R573-Y596 HydrophobicContact CB-CE1 3.88Å; R573-Y596 HydrophobicContact CG-CD1 4.47Å; R573-Y596 HydrophobicContact CG-CE1 4.12Å; R573-D649 HydrophobicContact CB-CB 4.3Å; R573-D649 PolarHBondContact O-N 3.18Å |
| 574 | I | 94.2 | Very high | 83.3 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 160.2 | 178.5 | 60.8 | 173.4 | 0 | 0 | 0 | 110.7 | N595 L597 F644 V646 M647 M648 | I574-N595 WeakPolarHBondContact CG1-O 3.45Å; I574-N595 PolarHBondContact N-O 2.03Å; I574-L597 HydrophobicContact CG2-CB 4.15Å; I574-F644 HydrophobicContact CD1-CE2 3.91Å; I574-F644 HydrophobicContact CD1-CZ 3.69Å; I574-F644 HydrophobicContact CG2-CZ 4.26Å; I574-V646 HydrophobicContact CB-CB 4.09Å; I574-V646 HydrophobicContact CB-CG1 4.24Å; I574-V646 HydrophobicContact CB-CG2 4.23Å; I574-V646 HydrophobicContact CD1-CG1 4.24Å; I574-V646 HydrophobicContact CG2-CB 4.39Å; I574-V646 HydrophobicContact CG2-CG2 3.96Å; I574-M647 CarbonylContact C-O 3.44Å; I574-M647 VanDerWaalsContact CA-O 3.23Å; I574-M647 WeakPolarHBondContact CA-O 3.44Å; I574-M648 HydrophobicContact CG2-CE 4.49Å; I574-M648 HydrophobicContact CG2-CG 4.47Å |
| 575 | V | 92.5 | Very high | 83.6 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 123.9 | 162.4 | -179 | 0 | 0 | 0 | 0 | 107.5 | Q492 I525 L527 F531 V577 V646 M647 | Q492-V575 WeakPolarHBondContact O-CG2 3.13Å; I525-V575 HydrophobicContact CD1-CG1 3.71Å; I525-V575 HydrophobicContact CD1-CG2 4.49Å; L527-V575 HydrophobicContact CD1-CB 4.49Å; L527-V575 HydrophobicContact CD1-CG2 4.12Å; L527-V575 HydrophobicContact CD2-CG2 3.96Å; F531-V575 HydrophobicContact CE1-CG2 4.27Å; V575-V577 PolarHBondContact O-N 3.12Å; V575-V646 CarbonylContact O-C 3.55Å; V575-V646 VanDerWaalsContact O-CA 3.23Å; V575-V646 WeakPolarHBondContact O-CA 3.35Å; V575-V646 WeakPolarHBondContact O-CB 3.45Å; V575-M647 HydrophobicContact CB-CB 4.22Å; V575-M647 PolarHBondContact N-O 2.84Å; V575-M647 PolarHBondContact O-N 3.16Å |
| 576 | R | 91.2 | Very high | 83.8 | Confident | 18 Ų | 18 | 34.9 Ų | 34.9 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 130.8 | 178.4 | -70 | -53.6 | -162.9 | 126.9 | -2.3 | 112 | S498 D578 D594 P618 | S498-R576 VanDerWaalsContact CB-O 3.27Å; S498-R576 WeakPolarHBondContact CB-O 3.4Å; S498-R576 PolarHBondContact OG-O 3.29Å; R576-D578 VanDerWaalsContact CB-OD1 3.25Å; R576-D578 WeakPolarHBondContact CB-OD1 3.04Å; R576-D578 WeakPolarHBondContact CD-OD1 3.23Å; R576-D578 IonicContact CZ-OD2 3.81Å; R576-D578 IonicContact NH1-OD1 2.68Å; R576-D578 IonicContact NH1-OD2 3.49Å; R576-D578 PolarHBondContact NH1-OD2 2.83Å; R576-D594 IonicContact CZ-OD2 3.51Å; R576-D594 IonicContact NE-OD2 3.66Å; R576-D594 PolarHBondContact NE-OD2 2.86Å; R576-D594 IonicContact NH2-OD2 3.6Å; R576-D594 PolarHBondContact NH2-OD2 2.9Å; R576-P618 PolarHBondContact NH1-O 3.5Å; R576-P618 PolarHBondContact NH2-O 3.01Å |
| 577 | V | 88.9 | Confident | 84.1 | Confident | 15 Ų | 15 | 31.6 Ų | 31.6 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | trans | -114.3 | -21.6 | 174.4 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | V500 V575 D645 M647 | V500-V577 HydrophobicContact CG2-CG1 3.99Å; V500-V577 HydrophobicContact CG2-CG2 4.2Å; V575-V577 PolarHBondContact O-N 3.12Å; V577-D645 PolarHBondContact N-O 3.47Å; V577-M647 HydrophobicContact CG2-CG 3.62Å; V577-M647 HydrophobicContact CG2-SD 4.25Å | ||
| 578 | D | 74.6 | Confident | 84.2 | Confident | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.011 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -52.7 | 154.3 | 172 | 30 | 20.8 | 0 | 0 | 0 | 113.3 | R576 T580 F587 M643 D645 | R576-D578 VanDerWaalsContact CB-OD1 3.25Å; R576-D578 WeakPolarHBondContact CB-OD1 3.04Å; R576-D578 WeakPolarHBondContact CD-OD1 3.23Å; R576-D578 IonicContact CZ-OD2 3.81Å; R576-D578 IonicContact NH1-OD1 2.68Å; R576-D578 IonicContact NH1-OD2 3.49Å; R576-D578 PolarHBondContact NH1-OD2 2.83Å; D578-T580 PolarHBondContact O-N 3.4Å; D578-T580 VanDerWaalsContact O-N 3.12Å; D578-F587 HydrophobicContact CB-CZ 4.01Å; D578-F587 WeakPolarHBondContact OD2-CZ 3.4Å; D578-M643 HydrophobicContact CB-CE 4.31Å; D578-D645 HydrophobicContact CB-CB 3.91Å; D578-D645 PolarHBondContact N-O 3.26Å |
| 579 | E | 66.6 | Low | 84.3 | Confident | 8 Ų | 8 | 31.7 Ų | 31.7 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | trans | -79.6 | 101.4 | -171.6 | -174.4 | 168.2 | -129.3 | 0 | 0 | 111.5 | K497 F510 R512 A581 T582 | K497-E579 HydrophobicContact CD-CG 4.31Å; K497-E579 IonicContact NZ-OE1 3.84Å; K497-E579 PolarHBondContact NZ-OE1 3.12Å; F510-E579 WeakPolarHBondContact CE1-OE2 3.13Å; R512-E579 IonicContact CZ-OE2 3.51Å; R512-E579 IonicContact NE-OE1 3.15Å; R512-E579 IonicContact NE-OE2 2.62Å; R512-E579 PolarHBondContact NE-OE2 3.17Å; R512-E579 IonicContact NH2-OE2 3.03Å; R512-E579 PolarHBondContact NH2-OE2 3.12Å; E579-A581 HydrophobicContact CG-CB 3.7Å; E579-A581 PolarHBondContact O-N 3.17Å; E579-A581 VanDerWaalsContact O-N 3.09Å; E579-T582 PolarHBondContact O-N 2.7Å | ||
| 580 | T | 57 | Low | 84.4 | Confident | 26 Ų | 26 | 31 Ų | 31 | 16% | 0.16 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -7.1 | 168.9 | 63.8 | 0 | 0 | 0 | 0 | 112.8 | G496 K497 D578 T582 K588 | G496-T580 WeakPolarHBondContact CA-OG1 3.36Å; K497-T580 PolarHBondContact N-OG1 3.47Å; K497-T580 VanDerWaalsContact N-OG1 3.14Å; D578-T580 PolarHBondContact O-N 3.4Å; D578-T580 VanDerWaalsContact O-N 3.12Å; T580-T582 PolarHBondContact O-N 3.36Å; T580-K588 WeakPolarHBondContact O-CE 3.38Å; T580-K588 VanDerWaalsContact O-CG 3.31Å; T580-K588 WeakPolarHBondContact O-CG 3.46Å |
| 581 | A | 56.3 | Low | 84.3 | Confident | 27 Ų | 27 | 31.4 Ų | 31.4 | 22% | 0.223 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 7.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T486 E579 | T486-A581 HydrophobicContact CG2-CB 4.4Å; E579-A581 HydrophobicContact CG-CB 3.7Å; E579-A581 PolarHBondContact O-N 3.17Å; E579-A581 VanDerWaalsContact O-N 3.09Å |
| 582 | T | 69.7 | Low | 84 | Confident | 10 Ų | 10 | 35.3 Ų | 35.3 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -58.7 | 154.6 | 174.5 | -179.8 | 0 | 0 | 0 | 0 | 113.2 | E579 T580 D584 F587 K588 L620 | E579-T582 PolarHBondContact O-N 2.7Å; T580-T582 PolarHBondContact O-N 3.36Å; T582-D584 HydrophobicContact CG2-CB 3.94Å; T582-D584 PolarHBondContact O-N 3.06Å; T582-D584 PolarHBondContact OG1-N 3.07Å; T582-D584 VanDerWaalsContact OG1-N 3.16Å; T582-F587 HydrophobicContact CG2-CD1 3.61Å; T582-F587 HydrophobicContact CG2-CE1 4.26Å; T582-F587 HydrophobicContact CG2-CG 4.46Å; T582-K588 HydrophobicContact CG2-CG 4.04Å; T582-K588 WeakPolarHBondContact O-CD 3.01Å; T582-K588 WeakPolarHBondContact O-CE 3.34Å; T582-K588 PolarHBondContact O-NZ 3.14Å; T582-L620 HydrophobicContact CG2-CD1 3.92Å |
| 583 | E | 73.1 | Confident | 83.6 | Confident | 132 Ų | 132 | 39.2 Ų | 39.2 | 62% | 0.617 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -74.3 | -10.6 | 169.9 | -70.2 | -173.5 | -176.7 | 0 | 0 | 112.7 | K585 K629 | E583-K585 PolarHBondContact O-N 3.45Å; E583-K629 IonicContact OE1-NZ 3.18Å; E583-K629 PolarHBondContact OE1-NZ 2.72Å; E583-K629 VanDerWaalsContact OE2-CD 3.25Å; E583-K629 WeakPolarHBondContact OE2-CD 3.49Å; E583-K629 IonicContact OE2-NZ 3.21Å; E583-K629 PolarHBondContact OE2-NZ 3.28Å |
| 584 | D | 86 | Confident | 83.5 | Confident | 33 Ų | 33 | 36.4 Ų | 36.4 | 18% | 0.176 | 18% | 0.178 | C | C | . | . | trans | -70.7 | 97.1 | 176.7 | -171.3 | -20.1 | 0 | 0 | 0 | 111.2 | T582 A586 F587 K588 | T582-D584 HydrophobicContact CG2-CB 3.94Å; T582-D584 PolarHBondContact O-N 3.06Å; T582-D584 PolarHBondContact OG1-N 3.07Å; T582-D584 VanDerWaalsContact OG1-N 3.16Å; D584-A586 VanDerWaalsContact C-N 3.33Å; D584-A586 PolarHBondContact OD1-N 3.18Å; D584-A586 VanDerWaalsContact OD1-N 3.08Å; D584-F587 HydrophobicContact CB-CB 3.91Å; D584-F587 VanDerWaalsContact CG-CB 3.43Å; D584-F587 PolarHBondContact OD1-N 2.75Å; D584-K588 WeakPolarHBondContact O-CG 3.12Å; D584-K588 PolarHBondContact O-N 3.13Å; D584-K588 VanDerWaalsContact O-N 3.12Å | ||
| 585 | K | 88.3 | Confident | 83.4 | Confident | 142 Ų | 142 | 37.8 Ų | 37.8 | 62% | 0.617 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -64.8 | -36.7 | 179.7 | -62.6 | -176.7 | -179.1 | -179.6 | 0 | 112.3 | E583 K588 E589 Y609 | E583-K585 PolarHBondContact O-N 3.45Å; K585-K588 WeakPolarHBondContact O-CB 3.31Å; K585-K588 PolarHBondContact O-N 2.94Å; K585-E589 WeakPolarHBondContact O-CG 3.45Å; K585-E589 PolarHBondContact O-N 2.93Å; K585-Y609 HydrophobicContact CB-CD2 4.35Å; K585-Y609 HydrophobicContact CB-CE2 3.59Å |
| 586 | A | 91.6 | Very high | 83.5 | Confident | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.033 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.4 | -46.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | D584 K588 E589 W590 Y609 | D584-A586 VanDerWaalsContact C-N 3.33Å; D584-A586 PolarHBondContact OD1-N 3.18Å; D584-A586 VanDerWaalsContact OD1-N 3.08Å; A586-K588 VanDerWaalsContact C-N 3.34Å; A586-K588 PolarHBondContact O-N 3.05Å; A586-E589 PolarHBondContact O-N 3.38Å; A586-W590 HydrophobicContact CB-CD2 4.48Å; A586-W590 HydrophobicContact CB-CE3 3.85Å; A586-W590 HydrophobicContact CB-CH2 3.87Å; A586-W590 HydrophobicContact CB-CZ2 4.49Å; A586-W590 HydrophobicContact CB-CZ3 3.51Å; A586-W590 WeakPolarHBondContact O-CB 3.3Å; A586-W590 PolarHBondContact O-N 2.82Å; A586-Y609 HydrophobicContact CB-CD1 3.63Å; A586-Y609 HydrophobicContact CB-CD2 4.25Å; A586-Y609 HydrophobicContact CB-CE1 3.97Å; A586-Y609 HydrophobicContact CB-CG 3.8Å |
| 587 | F | 91.9 | Very high | 83.7 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56 | -46.8 | 172.5 | 174.4 | -92.2 | 0 | 0 | 0 | 112.1 | D578 T582 D584 S591 P618 L620 | D578-F587 HydrophobicContact CB-CZ 4.01Å; D578-F587 WeakPolarHBondContact OD2-CZ 3.4Å; T582-F587 HydrophobicContact CG2-CD1 3.61Å; T582-F587 HydrophobicContact CG2-CE1 4.26Å; T582-F587 HydrophobicContact CG2-CG 4.46Å; D584-F587 HydrophobicContact CB-CB 3.91Å; D584-F587 VanDerWaalsContact CG-CB 3.43Å; D584-F587 PolarHBondContact OD1-N 2.75Å; F587-S591 WeakPolarHBondContact O-CB 3.24Å; F587-S591 PolarHBondContact O-N 3.1Å; F587-S591 PolarHBondContact O-OG 2.95Å; F587-P618 HydrophobicContact CD2-CB 4.1Å; F587-P618 HydrophobicContact CD2-CG 4.39Å; F587-L620 HydrophobicContact CD1-CD1 4.08Å; F587-L620 HydrophobicContact CD2-CB 4.09Å; F587-L620 HydrophobicContact CD2-CD1 4.46Å; F587-L620 HydrophobicContact CE1-CD1 4.29Å; F587-L620 HydrophobicContact CE2-CB 3.75Å; F587-L620 HydrophobicContact CG-CD1 4.17Å; F587-L620 HydrophobicContact CZ-CB 3.99Å |
| 588 | K | 88.4 | Confident | 84 | Confident | 72 Ų | 72 | 41.1 Ų | 41.1 | 31% | 0.313 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -56.9 | -51.8 | 178.4 | -81.8 | 167.4 | 153.6 | 170.3 | 0 | 112.5 | T580 T582 D584 K585 A586 S591 | T580-K588 WeakPolarHBondContact O-CE 3.38Å; T580-K588 VanDerWaalsContact O-CG 3.31Å; T580-K588 WeakPolarHBondContact O-CG 3.46Å; T582-K588 HydrophobicContact CG2-CG 4.04Å; T582-K588 WeakPolarHBondContact O-CD 3.01Å; T582-K588 WeakPolarHBondContact O-CE 3.34Å; T582-K588 PolarHBondContact O-NZ 3.14Å; D584-K588 WeakPolarHBondContact O-CG 3.12Å; D584-K588 PolarHBondContact O-N 3.13Å; D584-K588 VanDerWaalsContact O-N 3.12Å; K585-K588 WeakPolarHBondContact O-CB 3.31Å; K585-K588 PolarHBondContact O-N 2.94Å; A586-K588 VanDerWaalsContact C-N 3.34Å; A586-K588 PolarHBondContact O-N 3.05Å; K588-S591 PolarHBondContact O-N 3.1Å |
| 589 | E | 90.6 | Very high | 84.8 | Confident | 64 Ų | 64 | 43.2 Ų | 43.2 | 30% | 0.299 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -67.9 | -46.7 | -176.6 | -69.2 | -55.3 | 128.5 | 0 | 0 | 111.5 | K585 A586 S591 K592 G607 Y609 | K585-E589 WeakPolarHBondContact O-CG 3.45Å; K585-E589 PolarHBondContact O-N 2.93Å; A586-E589 PolarHBondContact O-N 3.38Å; E589-S591 VanDerWaalsContact C-N 3.26Å; E589-S591 PolarHBondContact O-N 2.86Å; E589-K592 WeakPolarHBondContact O-CB 3.22Å; E589-K592 PolarHBondContact O-N 2.94Å; E589-K592 WeakPolarHBondContact OE1-CE 3.46Å; E589-K592 IonicContact OE1-NZ 2.73Å; E589-K592 PolarHBondContact OE1-NZ 2.96Å; E589-K592 WeakPolarHBondContact OE2-CE 3.22Å; E589-K592 IonicContact OE2-NZ 3.75Å; E589-K592 PolarHBondContact OE2-NZ 3.46Å; E589-G607 CarbonylContact O-C 3.53Å; E589-G607 VanDerWaalsContact O-CA 3.3Å; E589-G607 WeakPolarHBondContact O-CA 3.18Å; E589-Y609 HydrophobicContact CB-CD2 4.17Å; E589-Y609 HydrophobicContact CG-CD2 3.95Å |
| 590 | W | 93.1 | Very high | 85.8 | Confident | 15 Ų | 15 | 47.9 Ų | 47.9 | 6% | 0.057 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.9 | -21.6 | 177.7 | -68.6 | -37 | 0 | 0 | 0 | 114.4 | H547 F549 A586 K592 Q606 Y609 K612 A614 P618 | H547-W590 HydrophobicContact CB-CZ3 4.06Å; H547-W590 AromaticContact CD2-CH2 3.88Å; H547-W590 AromaticContact CD2-CZ3 3.85Å; H547-W590 AromaticContact CG-CZ3 3.69Å; H547-W590 AromaticContact ND1-CZ3 3.97Å; F549-W590 HydrophobicContact CE1-CD2 4.19Å; F549-W590 AromaticContact CE1-CE3 3.85Å; F549-W590 HydrophobicContact CE1-CE3 3.85Å; F549-W590 HydrophobicContact CE1-CZ3 4.19Å; F549-W590 HydrophobicContact CZ-CD2 4.23Å; F549-W590 AromaticContact CZ-CE3 3.71Å; F549-W590 HydrophobicContact CZ-CE3 3.71Å; F549-W590 AromaticContact CZ-CH2 3.96Å; F549-W590 HydrophobicContact CZ-CH2 3.96Å; F549-W590 HydrophobicContact CZ-CZ2 4.45Å; F549-W590 AromaticContact CZ-CZ3 3.56Å; F549-W590 HydrophobicContact CZ-CZ3 3.56Å; A586-W590 HydrophobicContact CB-CD2 4.48Å; A586-W590 HydrophobicContact CB-CE3 3.85Å; A586-W590 HydrophobicContact CB-CH2 3.87Å; A586-W590 HydrophobicContact CB-CZ2 4.49Å; A586-W590 HydrophobicContact CB-CZ3 3.51Å; A586-W590 WeakPolarHBondContact O-CB 3.3Å; A586-W590 PolarHBondContact O-N 2.82Å; W590-K592 VanDerWaalsContact C-N 3.32Å; W590-Q606 WeakPolarHBondContact O-CG 3.49Å; W590-Q606 PolarHBondContact O-NE2 3.29Å; W590-Y609 HydrophobicContact CZ2-CD1 4.49Å; W590-K612 PolarHBondContact NE1-O 2.84Å; W590-A614 HydrophobicContact CB-CB 4.11Å; W590-A614 HydrophobicContact CD2-CB 4.49Å; W590-A614 HydrophobicContact CG-CB 3.91Å; W590-P618 HydrophobicContact CB-CB 4.16Å; W590-P618 HydrophobicContact CB-CG 3.72Å; W590-P618 HydrophobicContact CE3-CB 4.39Å |
| 591 | S | 91 | Very high | 87 | Confident | 12 Ų | 12 | 46.7 Ų | 46.7 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -78.9 | -16.1 | 176.4 | -61.9 | 0 | 0 | 0 | 0 | 112.8 | F587 K588 E589 N593 D594 | F587-S591 WeakPolarHBondContact O-CB 3.24Å; F587-S591 PolarHBondContact O-N 3.1Å; F587-S591 PolarHBondContact O-OG 2.95Å; K588-S591 PolarHBondContact O-N 3.1Å; E589-S591 VanDerWaalsContact C-N 3.26Å; E589-S591 PolarHBondContact O-N 2.86Å; S591-N593 PolarHBondContact O-N 3.1Å; S591-D594 PolarHBondContact O-N 2.65Å |
| 592 | K | 88.2 | Confident | 88.6 | Confident | 96 Ų | 96 | 47.7 Ų | 47.7 | 42% | 0.417 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 125.6 | 174.5 | -66.5 | 177.3 | -177.8 | 170.6 | 0 | 108.9 | E589 W590 D594 Q606 G607 | E589-K592 WeakPolarHBondContact O-CB 3.22Å; E589-K592 PolarHBondContact O-N 2.94Å; E589-K592 WeakPolarHBondContact OE1-CE 3.46Å; E589-K592 IonicContact OE1-NZ 2.73Å; E589-K592 PolarHBondContact OE1-NZ 2.96Å; E589-K592 WeakPolarHBondContact OE2-CE 3.22Å; E589-K592 IonicContact OE2-NZ 3.75Å; E589-K592 PolarHBondContact OE2-NZ 3.46Å; W590-K592 VanDerWaalsContact C-N 3.32Å; K592-D594 PolarHBondContact O-N 3.05Å; K592-Q606 CarbonylContact O-C 3.54Å; K592-Q606 WeakPolarHBondContact O-CA 3.24Å; K592-G607 PolarHBondContact O-N 3.42Å |
| 593 | N | 88.5 | Confident | 89.7 | Confident | 81 Ų | 81 | 48 Ų | 48 | 43% | 0.433 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 24.9 | -179.1 | -52 | -44.1 | 0 | 0 | 0 | 115.3 | S591 N595 T605 | S591-N593 PolarHBondContact O-N 3.1Å; N593-N595 PolarHBondContact O-N 2.95Å; N593-N595 PolarHBondContact O-ND2 2.68Å; N593-T605 VanDerWaalsContact CB-O 3.22Å; N593-T605 WeakPolarHBondContact CB-O 2.99Å; N593-T605 PolarHBondContact ND2-O 2.79Å |
| 594 | D | 91.7 | Very high | 90.4 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | trans | -78.8 | 96 | 165.1 | 179.4 | 48.7 | 0 | 0 | 0 | 108.9 | R576 S591 K592 Q606 S617 | R576-D594 IonicContact CZ-OD2 3.51Å; R576-D594 IonicContact NE-OD2 3.66Å; R576-D594 PolarHBondContact NE-OD2 2.86Å; R576-D594 IonicContact NH2-OD2 3.6Å; R576-D594 PolarHBondContact NH2-OD2 2.9Å; S591-D594 PolarHBondContact O-N 2.65Å; K592-D594 PolarHBondContact O-N 3.05Å; D594-Q606 HydrophobicContact CB-CG 4.29Å; D594-S617 PolarHBondContact OD1-OG 3.36Å; D594-S617 VanDerWaalsContact OD2-CB 3.26Å; D594-S617 WeakPolarHBondContact OD2-CB 3.49Å; D594-S617 PolarHBondContact OD2-OG 3.06Å | ||
| 595 | N | 91.6 | Very high | 90.5 | Very high | 30 Ų | 30 | 51.2 Ų | 51.2 | 16% | 0.16 | 26% | 0.256 | C | S | . | . | trans | -110.2 | -9.7 | -170.1 | -65.1 | -69.3 | 0 | 0 | 0 | 113.3 | S493 R573 I574 N593 E603 | S493-N595 PolarHBondContact OG-OD1 3.39Å; S493-N595 VanDerWaalsContact OG-OD1 3.04Å; R573-N595 WeakPolarHBondContact CA-O 3.49Å; I574-N595 WeakPolarHBondContact CG1-O 3.45Å; I574-N595 PolarHBondContact N-O 2.03Å; N593-N595 PolarHBondContact O-N 2.95Å; N593-N595 PolarHBondContact O-ND2 2.68Å; N595-E603 PolarHBondContact N-OE1 2.8Å; N595-E603 PolarHBondContact N-OE2 2.9Å | ||
| 596 | Y | 94.6 | Very high | 90.6 | Very high | 90 Ų | 90 | 45 Ų | 45 | 35% | 0.353 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 129.4 | -177.7 | -59.7 | -90.2 | 0 | 0 | 0 | 112.7 | A571 I572 R573 N598 E603 | A571-Y596 HydrophobicContact CB-CD1 4.08Å; A571-Y596 HydrophobicContact CB-CG 4.38Å; I572-Y596 CarbonylContact O-C 3.34Å; I572-Y596 VanDerWaalsContact O-CA 3.28Å; I572-Y596 WeakPolarHBondContact O-CA 3.29Å; R573-Y596 HydrophobicContact CB-CD1 4.04Å; R573-Y596 HydrophobicContact CB-CE1 3.88Å; R573-Y596 HydrophobicContact CG-CD1 4.47Å; R573-Y596 HydrophobicContact CG-CE1 4.12Å; Y596-N598 PolarHBondContact O-N 3.33Å; Y596-N598 VanDerWaalsContact O-N 3.14Å; Y596-N598 PolarHBondContact O-ND2 3.02Å; Y596-N598 VanDerWaalsContact O-ND2 3.12Å; Y596-E603 WeakPolarHBondContact CD2-OE2 3.35Å; Y596-E603 PolarHBondContact N-OE1 2.83Å |
| 597 | L | 96.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 110.7 | 156.3 | -178.3 | 67 | 0 | 0 | 0 | 107.7 | L550 G552 A571 I572 I574 M648 F658 | L550-L597 HydrophobicContact CB-CD1 3.95Å; G552-L597 CarbonylContact O-C 3.55Å; G552-L597 VanDerWaalsContact O-C 3.32Å; A571-L597 WeakPolarHBondContact CA-O 3.12Å; I572-L597 PolarHBondContact N-O 2.89Å; I572-L597 PolarHBondContact O-N 2.75Å; I574-L597 HydrophobicContact CG2-CB 4.15Å; L597-M648 HydrophobicContact CD2-CE 4.03Å; L597-F658 HydrophobicContact CD2-CD2 3.7Å; L597-F658 HydrophobicContact CD2-CE2 4.05Å |
| 598 | N | 94.2 | Very high | 90.7 | Very high | 15 Ų | 15 | 50 Ų | 50 | 8% | 0.08 | 26% | 0.255 | C | S | . | . | trans | -137.5 | 155.7 | -173.2 | 80.2 | 82.6 | 0 | 0 | 0 | 112.4 | R551 G552 A571 Y596 F600 G601 | R551-N598 WeakPolarHBondContact CA-O 3.49Å; G552-N598 PolarHBondContact N-O 3.35Å; G552-N598 VanDerWaalsContact N-O 3.09Å; G552-N598 CarbonylContact O-C 3.53Å; G552-N598 WeakPolarHBondContact O-CA 3.36Å; G552-N598 PolarHBondContact O-N 2.86Å; G552-N598 VanDerWaalsContact O-N 3.16Å; A571-N598 HydrophobicContact CB-CB 3.98Å; Y596-N598 PolarHBondContact O-N 3.33Å; Y596-N598 VanDerWaalsContact O-N 3.14Å; Y596-N598 PolarHBondContact O-ND2 3.02Å; Y596-N598 VanDerWaalsContact O-ND2 3.12Å; N598-F600 PolarHBondContact OD1-N 3.05Å; N598-G601 PolarHBondContact ND2-O 2.92Å; N598-G601 PolarHBondContact OD1-N 2.99Å; N598-G601 VanDerWaalsContact OD1-N 3.09Å; N598-G601 PolarHBondContact OD1-O 2.77Å | ||
| 599 | W | 92.8 | Very high | 90.9 | Very high | 45 Ų | 45 | 49.2 Ų | 49.2 | 17% | 0.17 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -82.4 | -14.1 | -178.4 | -70.5 | 113.1 | 0 | 0 | 0 | 114.5 | R551 G552 V554 M555 E659 K661 N691 | R551-W599 HydrophobicContact CB-CE3 4.17Å; G552-W599 PolarHBondContact O-N 2.78Å; G552-W599 VanDerWaalsContact O-N 3.14Å; V554-W599 PolarHBondContact O-NE1 2.68Å; V554-W599 VanDerWaalsContact O-NE1 3.15Å; M555-W599 HydrophobicContact CG-CZ2 4.01Å; M555-W599 HydrophobicContact SD-CD2 4.32Å; M555-W599 HydrophobicContact SD-CZ2 3.95Å; M555-W599 PolarHBondContact SD-NE1 3.08Å; M555-W599 VanDerWaalsContact SD-NE1 3.44Å; W599-E659 HydrophobicContact CH2-CB 4.12Å; W599-E659 HydrophobicContact CZ2-CB 3.61Å; W599-K661 HydrophobicContact CZ3-CB 4.49Å; W599-K661 HydrophobicContact CZ3-CG 4.23Å; W599-N691 HydrophobicContact CH2-CB 3.98Å; W599-N691 VanDerWaalsContact CH2-CG 3.44Å; W599-N691 WeakPolarHBondContact CH2-ND2 3.4Å |
| 600 | F | 87.2 | Confident | 91 | Very high | 106 Ų | 106 | 52.4 Ų | 52.4 | 47% | 0.465 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -96.2 | 2.1 | -168.2 | -59.4 | -90.9 | 0 | 0 | 0 | 112.6 | P567 C570 N598 | P567-F600 VanDerWaalsContact CA-CE2 3.49Å; P567-F600 HydrophobicContact CB-CD2 3.59Å; P567-F600 HydrophobicContact CB-CE1 4.37Å; P567-F600 HydrophobicContact CB-CE2 3.37Å; P567-F600 HydrophobicContact CB-CG 4.2Å; P567-F600 HydrophobicContact CB-CZ 3.79Å; P567-F600 HydrophobicContact CG-CD1 4.45Å; P567-F600 HydrophobicContact CG-CD2 4.3Å; P567-F600 HydrophobicContact CG-CE1 4.09Å; P567-F600 HydrophobicContact CG-CE2 3.95Å; P567-F600 HydrophobicContact CG-CZ 3.82Å; C570-F600 HydrophobicContact CB-CE2 4.46Å; N598-F600 PolarHBondContact OD1-N 3.05Å |
| 601 | G | 82.4 | Confident | 90.9 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | trans | 90.8 | -126.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | N598 I615 | N598-G601 PolarHBondContact ND2-O 2.92Å; N598-G601 PolarHBondContact OD1-N 2.99Å; N598-G601 VanDerWaalsContact OD1-N 3.09Å; N598-G601 PolarHBondContact OD1-O 2.77Å; G601-I615 WeakPolarHBondContact CA-O 3.06Å | ||
| 602 | T | 90.2 | Very high | 91 | Very high | 48 Ų | 48 | 64.9 Ų | 64.9 | 29% | 0.294 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -69 | 136.5 | -175.6 | -75.9 | 0 | 0 | 0 | 0 | 113.1 | Q606 A614 | T602-Q606 HydrophobicContact CG2-CB 4.16Å; T602-A614 WeakPolarHBondContact OG1-CA 3.31Å; T602-A614 WeakPolarHBondContact OG1-CB 3.28Å; T602-A614 PolarHBondContact OG1-N 2.98Å; T602-A614 PolarHBondContact OG1-O 3.34Å |
| 603 | E | 91 | Very high | 91.3 | Very high | 18 Ų | 18 | 63.2 Ų | 63.2 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | trans | -78.3 | 148.3 | 170.7 | -55 | 176 | -144.2 | 0 | 0 | 111.3 | N595 Y596 T605 Q606 | N595-E603 PolarHBondContact N-OE1 2.8Å; N595-E603 PolarHBondContact N-OE2 2.9Å; Y596-E603 WeakPolarHBondContact CD2-OE2 3.35Å; Y596-E603 PolarHBondContact N-OE1 2.83Å; E603-T605 PolarHBondContact O-N 2.74Å; E603-Q606 HydrophobicContact CB-CB 4.04Å; E603-Q606 VanDerWaalsContact N-OE1 3.13Å; E603-Q606 WeakPolarHBondContact O-CB 3.36Å; E603-Q606 PolarHBondContact O-N 2.93Å | ||
| 604 | P | 87.9 | Confident | 91.6 | Very high | 140 Ų | 140 | 59.6 Ų | 59.6 | 91% | 0.909 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -25.3 | -175.2 | -28.3 | 35.4 | 0 | 0 | 0 | 116 | ||
| 605 | T | 88 | Confident | 91.7 | Very high | 92 Ų | 92 | 61.1 Ų | 61.1 | 56% | 0.564 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.6 | 4.6 | -179.2 | 58.2 | 0 | 0 | 0 | 0 | 113.4 | N593 E603 | N593-T605 VanDerWaalsContact CB-O 3.22Å; N593-T605 WeakPolarHBondContact CB-O 2.99Å; N593-T605 PolarHBondContact ND2-O 2.79Å; E603-T605 PolarHBondContact O-N 2.74Å |
| 606 | Q | 91.9 | Very high | 91.9 | Very high | 10 Ų | 10 | 59.7 Ų | 59.7 | 5% | 0.047 | 31% | 0.308 | C | S | . | . | trans | -67.1 | 142.7 | 179 | -173.1 | 177.2 | 5.2 | 0 | 0 | 110 | W590 K592 D594 T602 E603 G616 | W590-Q606 WeakPolarHBondContact O-CG 3.49Å; W590-Q606 PolarHBondContact O-NE2 3.29Å; K592-Q606 CarbonylContact O-C 3.54Å; K592-Q606 WeakPolarHBondContact O-CA 3.24Å; D594-Q606 HydrophobicContact CB-CG 4.29Å; T602-Q606 HydrophobicContact CG2-CB 4.16Å; E603-Q606 HydrophobicContact CB-CB 4.04Å; E603-Q606 VanDerWaalsContact N-OE1 3.13Å; E603-Q606 WeakPolarHBondContact O-CB 3.36Å; E603-Q606 PolarHBondContact O-N 2.93Å; Q606-G616 PolarHBondContact NE2-O 2.97Å | ||
| 607 | G | 90.4 | Very high | 91.9 | Very high | 13 Ų | 13 | 55.4 Ų | 55.4 | 13% | 0.134 | 29% | 0.291 | C | S | . | . | trans | -65.3 | 160.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E589 K592 | E589-G607 CarbonylContact O-C 3.53Å; E589-G607 VanDerWaalsContact O-CA 3.3Å; E589-G607 WeakPolarHBondContact O-CA 3.18Å; K592-G607 PolarHBondContact O-N 3.42Å | ||
| 608 | E | 94.1 | Very high | 91.8 | Very high | 97 Ų | 97 | 55.5 Ų | 55.5 | 45% | 0.453 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 148.6 | 179.9 | -57.2 | -164.4 | 144.6 | 0 | 0 | 110.5 | S613 | E608-S613 PolarHBondContact OE1-OG 3.15Å |
| 609 | Y | 93 | Very high | 91.9 | Very high | 57 Ų | 57 | 54.9 Ų | 54.9 | 22% | 0.224 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 123.7 | 175.2 | -179.7 | -103.6 | 0 | 0 | 0 | 109.1 | K585 A586 E589 W590 N611 K612 | K585-Y609 HydrophobicContact CB-CD2 4.35Å; K585-Y609 HydrophobicContact CB-CE2 3.59Å; A586-Y609 HydrophobicContact CB-CD1 3.63Å; A586-Y609 HydrophobicContact CB-CD2 4.25Å; A586-Y609 HydrophobicContact CB-CE1 3.97Å; A586-Y609 HydrophobicContact CB-CG 3.8Å; E589-Y609 HydrophobicContact CB-CD2 4.17Å; E589-Y609 HydrophobicContact CG-CD2 3.95Å; W590-Y609 HydrophobicContact CZ2-CD1 4.49Å; Y609-N611 VanDerWaalsContact C-N 3.26Å; Y609-N611 PolarHBondContact O-N 3.27Å; Y609-K612 PolarHBondContact N-O 3.32Å; Y609-K612 VanDerWaalsContact N-O 3.09Å; Y609-K612 WeakPolarHBondContact O-CB 3.36Å; Y609-K612 PolarHBondContact O-N 3.06Å |
| 610 | E | 91.8 | Very high | 91.9 | Very high | 131 Ų | 131 | 52.9 Ų | 52.9 | 61% | 0.612 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 41.8 | -178.1 | -63.9 | 177.1 | -176.1 | 0 | 0 | 113.5 | K612 | E610-K612 PolarHBondContact O-N 3.3Š|
| 611 | N | 91.8 | Very high | 92.2 | Very high | 154 Ų | 154 | 51.1 Ų | 51.1 | 82% | 0.824 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 19.2 | -175.2 | -51.4 | -46.7 | 0 | 0 | 0 | 114.7 | Y609 | Y609-N611 VanDerWaalsContact C-N 3.26Å; Y609-N611 PolarHBondContact O-N 3.27Å |
| 612 | K | 93.3 | Very high | 92.7 | Very high | 135 Ų | 135 | 51.1 Ų | 51.1 | 59% | 0.587 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 119.6 | 170.8 | -62.9 | 178.3 | -177 | 171.1 | 0 | 108.9 | W590 Y609 E610 | W590-K612 PolarHBondContact NE1-O 2.84Å; Y609-K612 PolarHBondContact N-O 3.32Å; Y609-K612 VanDerWaalsContact N-O 3.09Å; Y609-K612 WeakPolarHBondContact O-CB 3.36Å; Y609-K612 PolarHBondContact O-N 3.06Å; E610-K612 PolarHBondContact O-N 3.3Å |
| 613 | S | 94.6 | Very high | 92.6 | Very high | 60 Ų | 60 | 48.9 Ų | 48.9 | 42% | 0.42 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 152.2 | 166.1 | -39.6 | 0 | 0 | 0 | 0 | 110 | E608 | E608-S613 PolarHBondContact OE1-OG 3.15Å |
| 614 | A | 94.1 | Very high | 92.6 | Very high | 6 Ų | 6 | 51.2 Ų | 51.2 | 5% | 0.05 | 27% | 0.271 | C | S | . | . | trans | -60.6 | 175.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111 | F549 W590 T602 G616 | F549-A614 HydrophobicContact CD1-CB 4.34Å; F549-A614 HydrophobicContact CE1-CB 3.83Å; W590-A614 HydrophobicContact CB-CB 4.11Å; W590-A614 HydrophobicContact CD2-CB 4.49Å; W590-A614 HydrophobicContact CG-CB 3.91Å; T602-A614 WeakPolarHBondContact OG1-CA 3.31Å; T602-A614 WeakPolarHBondContact OG1-CB 3.28Å; T602-A614 PolarHBondContact OG1-N 2.98Å; T602-A614 PolarHBondContact OG1-O 3.34Å; A614-G616 WeakPolarHBondContact CB-O 3.5Å | ||
| 615 | I | 94.5 | Very high | 92.6 | Very high | 35 Ų | 35 | 48.1 Ų | 48.1 | 18% | 0.179 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -117.5 | 12.5 | 167.5 | 60.6 | 164.6 | 0 | 0 | 0 | 111.9 | F549 R551 G601 I663 T664 L667 | F549-I615 HydrophobicContact CB-CG1 4.06Å; F549-I615 HydrophobicContact CD1-CG1 4.09Å; F549-I615 HydrophobicContact CD2-CD1 3.78Å; F549-I615 HydrophobicContact CD2-CG1 3.37Å; F549-I615 HydrophobicContact CE1-CG1 4.41Å; F549-I615 HydrophobicContact CE2-CD1 4.24Å; F549-I615 HydrophobicContact CE2-CG1 3.75Å; F549-I615 HydrophobicContact CG-CD1 4.33Å; F549-I615 HydrophobicContact CG-CG1 3.57Å; F549-I615 HydrophobicContact CZ-CG1 4.25Å; R551-I615 VanDerWaalsContact CZ-O 3.24Å; R551-I615 PolarHBondContact NE-O 2.69Å; R551-I615 PolarHBondContact NH2-O 2.91Å; G601-I615 WeakPolarHBondContact CA-O 3.06Å; I615-I663 HydrophobicContact CD1-CB 4.47Å; I615-I663 HydrophobicContact CD1-CG2 4.03Å; I615-T664 VanDerWaalsContact CD1-O 3.26Å; I615-T664 WeakPolarHBondContact CD1-O 3.09Å; I615-L667 HydrophobicContact CD1-CD2 4.11Å |
| 616 | G | 95.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | S | Bend | trans | 161.4 | -161 | -176.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q606 A614 P618 | Q606-G616 PolarHBondContact NE2-O 2.97Å; A614-G616 WeakPolarHBondContact CB-O 3.5Å; G616-P618 VanDerWaalsContact O-CD 3.31Å; G616-P618 WeakPolarHBondContact O-CD 3.14Å |
| 617 | S | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 115.6 | 173.7 | -58.5 | 0 | 0 | 0 | 0 | 109.4 | F549 L550 D594 | F549-S617 CarbonylContact C-O 3.47Å; F549-S617 WeakPolarHBondContact CA-O 3.32Å; L550-S617 PolarHBondContact N-O 2.93Å; L550-S617 PolarHBondContact O-N 3.46Å; D594-S617 PolarHBondContact OD1-OG 3.36Å; D594-S617 VanDerWaalsContact OD2-CB 3.26Å; D594-S617 WeakPolarHBondContact OD2-CB 3.49Å; D594-S617 PolarHBondContact OD2-OG 3.06Å |
| 618 | P | 95 | Very high | 91.4 | Very high | 3 Ų | 3 | 54 Ų | 54 | 2% | 0.019 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 142.6 | -178.6 | 27.3 | -38.6 | 0 | 0 | 0 | 111.8 | F549 R576 F587 W590 G616 | F549-P618 HydrophobicContact CD1-CB 4Å; F549-P618 HydrophobicContact CE1-CB 3.89Å; R576-P618 PolarHBondContact NH1-O 3.5Å; R576-P618 PolarHBondContact NH2-O 3.01Å; F587-P618 HydrophobicContact CD2-CB 4.1Å; F587-P618 HydrophobicContact CD2-CG 4.39Å; W590-P618 HydrophobicContact CB-CB 4.16Å; W590-P618 HydrophobicContact CB-CG 3.72Å; W590-P618 HydrophobicContact CE3-CB 4.39Å; G616-P618 VanDerWaalsContact O-CD 3.31Å; G616-P618 WeakPolarHBondContact O-CD 3.14Å |
| 619 | M | 95.3 | Very high | 90.8 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -98.2 | 149 | 172.1 | -56.6 | -167.9 | 76.2 | 0 | 0 | 110.6 | V536 I538 V548 L550 W642 M643 F644 | V536-M619 VanDerWaalsContact O-CE 3.3Å; V536-M619 WeakPolarHBondContact O-CE 3.23Å; I538-M619 HydrophobicContact CB-CE 4.24Å; I538-M619 HydrophobicContact CB-SD 4.21Å; I538-M619 HydrophobicContact CG1-CE 3.67Å; I538-M619 HydrophobicContact CG1-SD 3.7Å; V548-M619 HydrophobicContact CB-SD 4.43Å; V548-M619 HydrophobicContact CG1-CG 4.31Å; V548-M619 HydrophobicContact CG1-SD 3.65Å; V548-M619 WeakPolarHBondContact O-CB 3.46Å; V548-M619 PolarHBondContact O-N 3.09Å; L550-M619 HydrophobicContact CD1-CE 4.21Å; L550-M619 HydrophobicContact CD1-SD 4.32Å; L550-M619 HydrophobicContact CD2-CE 4.38Å; L550-M619 HydrophobicContact CD2-SD 3.69Å; L550-M619 HydrophobicContact CG-CE 4.23Å; L550-M619 HydrophobicContact CG-CG 3.94Å; L550-M619 HydrophobicContact CG-SD 3.69Å; M619-W642 HydrophobicContact CB-CB 3.83Å; M619-W642 HydrophobicContact CB-CE3 4.07Å; M619-W642 HydrophobicContact CE-CB 4.11Å; M619-W642 VanDerWaalsContact CE-O 3.24Å; M619-W642 WeakPolarHBondContact CE-O 3.36Å; M619-W642 VanDerWaalsContact O-CE3 3.27Å; M619-W642 WeakPolarHBondContact O-CZ3 3.27Å; M619-W642 HydrophobicContact SD-CB 4Å; M619-M643 CarbonylContact C-O 3.49Å; M619-M643 WeakPolarHBondContact CA-O 3.46Å; M619-F644 HydrophobicContact CE-CB 3.75Å; M619-F644 HydrophobicContact CG-CB 4.31Å |
| 620 | L | 93.7 | Very high | 90.4 | Very high | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 128.7 | 176.6 | 179.4 | 62.1 | 0 | 0 | 0 | 110.5 | T582 F587 T622 W642 M643 | T582-L620 HydrophobicContact CG2-CD1 3.92Å; F587-L620 HydrophobicContact CD1-CD1 4.08Å; F587-L620 HydrophobicContact CD2-CB 4.09Å; F587-L620 HydrophobicContact CD2-CD1 4.46Å; F587-L620 HydrophobicContact CE1-CD1 4.29Å; F587-L620 HydrophobicContact CE2-CB 3.75Å; F587-L620 HydrophobicContact CG-CD1 4.17Å; F587-L620 HydrophobicContact CZ-CB 3.99Å; L620-T622 HydrophobicContact CD2-CG2 4.45Å; L620-T622 HydrophobicContact CG-CG2 4.25Å; L620-W642 CarbonylContact O-C 3.47Å; L620-W642 WeakPolarHBondContact O-CA 3.48Å; L620-M643 HydrophobicContact CD2-CE 4.1Å; L620-M643 PolarHBondContact N-O 3.21Å; L620-M643 PolarHBondContact O-N 3Å |
| 621 | W | 92.4 | Very high | 90.2 | Very high | 68 Ų | 68 | 48.4 Ų | 48.4 | 26% | 0.258 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 131.5 | 168.8 | 179.2 | -97.7 | 0 | 0 | 0 | 110.6 | T542 H640 W642 | T542-W621 WeakPolarHBondContact OG1-CZ3 3.43Å; W621-H640 HydrophobicContact CH2-CB 4.13Å; W621-H640 AromaticContact CH2-ND1 3.51Å; W621-H640 HydrophobicContact CZ3-CB 4.48Å; W621-W642 HydrophobicContact CB-CE3 4.15Å; W621-W642 HydrophobicContact CB-CH2 4.13Å; W621-W642 HydrophobicContact CB-CZ3 3.9Å; W621-W642 HydrophobicContact CD2-CZ2 4.43Å; W621-W642 AromaticContact CE3-CD2 3.91Å; W621-W642 HydrophobicContact CE3-CD2 3.91Å; W621-W642 AromaticContact CE3-CE2 3.31Å; W621-W642 HydrophobicContact CE3-CG 4.37Å; W621-W642 HydrophobicContact CE3-CH2 4.12Å; W621-W642 AromaticContact CE3-CZ2 3.45Å; W621-W642 HydrophobicContact CE3-CZ2 3.45Å; W621-W642 VanDerWaalsContact CE3-CZ2 3.45Å; W621-W642 AromaticContact CE3-NE1 3.39Å; W621-W642 AromaticContact CZ3-CE2 3.74Å; W621-W642 AromaticContact CZ3-CZ2 3.94Å; W621-W642 HydrophobicContact CZ3-CZ2 3.94Å; W621-W642 AromaticContact CZ3-NE1 3.38Å |
| 622 | T | 92.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 161.4 | -179 | 72.2 | 0 | 0 | 0 | 0 | 114 | F537 L620 S630 N632 N635 F641 M643 | F537-T622 HydrophobicContact CE1-CG2 4.36Å; L620-T622 HydrophobicContact CD2-CG2 4.45Å; L620-T622 HydrophobicContact CG-CG2 4.25Å; T622-S630 CarbonylContact C-O 3.58Å; T622-S630 WeakPolarHBondContact CA-O 3.26Å; T622-N632 HydrophobicContact CG2-CB 3.81Å; T622-N635 PolarHBondContact OG1-ND2 3.43Å; T622-F641 PolarHBondContact N-O 2.93Å; T622-F641 PolarHBondContact OG1-O 3.31Å; T622-M643 HydrophobicContact CG2-CB 3.65Å; T622-M643 HydrophobicContact CG2-CE 4.45Å; T622-M643 HydrophobicContact CG2-SD 4.43Å |
| 623 | S | 89.7 | Confident | 90 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -133.3 | 151.4 | 174 | -179.7 | 0 | 0 | 0 | 0 | 110.2 | N625 D628 S630 F631 N632 | S623-N625 PolarHBondContact OG-N 2.89Å; S623-D628 VanDerWaalsContact CB-OD2 3.29Å; S623-D628 WeakPolarHBondContact CB-OD2 3.25Å; S623-D628 WeakPolarHBondContact OG-CB 3.24Å; S623-D628 PolarHBondContact OG-OD2 3.06Å; S623-D628 VanDerWaalsContact OG-OD2 3.13Å; S623-S630 WeakPolarHBondContact CB-OG 3.4Å; S623-S630 PolarHBondContact N-O 3.15Å; S623-F631 VanDerWaalsContact O-CA 3.3Å; S623-F631 WeakPolarHBondContact O-CA 3.46Å; S623-F631 WeakPolarHBondContact O-CD2 3.33Å; S623-N632 PolarHBondContact O-N 2.59Å |
| 624 | D | 90.4 | Very high | 89.8 | Confident | 68 Ų | 68 | 35.1 Ų | 35.1 | 36% | 0.364 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -93 | -6.1 | 171.2 | 68 | -25.3 | 0 | 0 | 0 | 112.3 | N635 G638 | D624-N635 WeakPolarHBondContact CB-O 3.37Å; D624-G638 VanDerWaalsContact CG-CA 3.41Å; D624-G638 WeakPolarHBondContact OD1-CA 3.32Å; D624-G638 VanDerWaalsContact OD2-CA 3.26Å; D624-G638 WeakPolarHBondContact OD2-CA 3.45Å; D624-G638 PolarHBondContact OD2-N 3.18Å |
| 625 | N | 87.3 | Confident | 89.7 | Confident | 74 Ų | 74 | 34.9 Ų | 34.9 | 40% | 0.396 | 17% | 0.172 | S | C | . | . | trans | -81 | 115.1 | 173.3 | -179.9 | 2.4 | 0 | 0 | 0 | 110.5 | S623 L627 D628 F631 | S623-N625 PolarHBondContact OG-N 2.89Å; N625-L627 PolarHBondContact O-N 3.13Å; N625-L627 WeakPolarHBondContact OD1-CB 3.19Å; N625-L627 PolarHBondContact OD1-N 2.56Å; N625-D628 HydrophobicContact CB-CB 4.24Å; N625-D628 VanDerWaalsContact O-CB 3.25Å; N625-D628 WeakPolarHBondContact O-CB 3.31Å; N625-D628 PolarHBondContact O-N 2.72Å; N625-F631 WeakPolarHBondContact O-CB 3.37Å | ||
| 626 | N | 81.1 | Confident | 89.6 | Confident | 84 Ų | 84 | 39.7 Ų | 39.7 | 45% | 0.449 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -8.6 | -179.2 | 69.7 | -2.9 | 0 | 0 | 0 | 115.4 | F631 | N626-F631 HydrophobicContact CB-CD1 4.29Å; N626-F631 HydrophobicContact CB-CD2 4.17Å; N626-F631 HydrophobicContact CB-CE1 4.21Å; N626-F631 HydrophobicContact CB-CE2 4.07Å; N626-F631 HydrophobicContact CB-CG 4.28Å; N626-F631 HydrophobicContact CB-CZ 4.1Å |
| 627 | L | 80.3 | Confident | 89.5 | Confident | 96 Ų | 96 | 42.6 Ų | 42.6 | 50% | 0.503 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -14.4 | 171.9 | -64.4 | 172.9 | 0 | 0 | 0 | 113 | K465 Y466 N625 | K465-L627 HydrophobicContact CD-CD2 4.43Å; Y466-L627 HydrophobicContact CD1-CD2 4.17Å; Y466-L627 HydrophobicContact CE1-CD2 3.38Å; Y466-L627 HydrophobicContact CE1-CG 4.43Å; N625-L627 PolarHBondContact O-N 3.13Å; N625-L627 WeakPolarHBondContact OD1-CB 3.19Å; N625-L627 PolarHBondContact OD1-N 2.56Å |
| 628 | D | 83.9 | Confident | 89.3 | Confident | 58 Ų | 58 | 43.3 Ų | 43.3 | 31% | 0.31 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -80.1 | 138.9 | -178.2 | -164.7 | -40.3 | 0 | 0 | 0 | 110.5 | S623 N625 S630 F631 | S623-D628 VanDerWaalsContact CB-OD2 3.29Å; S623-D628 WeakPolarHBondContact CB-OD2 3.25Å; S623-D628 WeakPolarHBondContact OG-CB 3.24Å; S623-D628 PolarHBondContact OG-OD2 3.06Å; S623-D628 VanDerWaalsContact OG-OD2 3.13Å; N625-D628 HydrophobicContact CB-CB 4.24Å; N625-D628 VanDerWaalsContact O-CB 3.25Å; N625-D628 WeakPolarHBondContact O-CB 3.31Å; N625-D628 PolarHBondContact O-N 2.72Å; D628-S630 PolarHBondContact O-N 3.04Å; D628-S630 WeakPolarHBondContact OD1-CB 3.4Å; D628-S630 PolarHBondContact OD1-N 2.77Å; D628-S630 PolarHBondContact OD1-OG 2.97Å; D628-S630 PolarHBondContact OD2-OG 2.93Å; D628-F631 VanDerWaalsContact O-CB 3.23Å; D628-F631 WeakPolarHBondContact O-CB 3.46Å; D628-F631 PolarHBondContact O-N 3.14Å |
| 629 | K | 80.9 | Confident | 89 | Confident | 135 Ų | 135 | 47.4 Ų | 47.4 | 59% | 0.587 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -20.7 | 172.2 | -66 | -169.4 | 177.6 | -162.2 | 0 | 112.6 | R512 E583 | R512-K629 PolarHBondContact NH1-O 3.21Å; E583-K629 IonicContact OE1-NZ 3.18Å; E583-K629 PolarHBondContact OE1-NZ 2.72Å; E583-K629 VanDerWaalsContact OE2-CD 3.25Å; E583-K629 WeakPolarHBondContact OE2-CD 3.49Å; E583-K629 IonicContact OE2-NZ 3.21Å; E583-K629 PolarHBondContact OE2-NZ 3.28Å |
| 630 | S | 86.6 | Confident | 88.9 | Confident | 15 Ų | 15 | 49.7 Ų | 49.7 | 11% | 0.105 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 7.4 | 174.4 | 64.6 | 0 | 0 | 0 | 0 | 113.5 | T622 S623 D628 N632 | T622-S630 CarbonylContact C-O 3.58Å; T622-S630 WeakPolarHBondContact CA-O 3.26Å; S623-S630 WeakPolarHBondContact CB-OG 3.4Å; S623-S630 PolarHBondContact N-O 3.15Å; D628-S630 PolarHBondContact O-N 3.04Å; D628-S630 WeakPolarHBondContact OD1-CB 3.4Å; D628-S630 PolarHBondContact OD1-N 2.77Å; D628-S630 PolarHBondContact OD1-OG 2.97Å; D628-S630 PolarHBondContact OD2-OG 2.93Å; S630-N632 PolarHBondContact O-N 2.8Å |
| 631 | F | 87.4 | Confident | 89 | Confident | 18 Ų | 18 | 50.1 Ų | 50.1 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -50.2 | 133.8 | 177.6 | 177.9 | -118.7 | 0 | 0 | 0 | 111.8 | F510 S623 N625 N626 D628 | F510-F631 AromaticContact CE2-CD1 3.76Å; F510-F631 HydrophobicContact CE2-CD1 3.76Å; F510-F631 AromaticContact CE2-CE1 3.93Å; F510-F631 HydrophobicContact CE2-CE1 3.93Å; F510-F631 HydrophobicContact CZ-CD1 4.13Å; F510-F631 VanDerWaalsContact CZ-O 3.25Å; F510-F631 WeakPolarHBondContact CZ-O 3.42Å; S623-F631 VanDerWaalsContact O-CA 3.3Å; S623-F631 WeakPolarHBondContact O-CA 3.46Å; S623-F631 WeakPolarHBondContact O-CD2 3.33Å; N625-F631 WeakPolarHBondContact O-CB 3.37Å; N626-F631 HydrophobicContact CB-CD1 4.29Å; N626-F631 HydrophobicContact CB-CD2 4.17Å; N626-F631 HydrophobicContact CB-CE1 4.21Å; N626-F631 HydrophobicContact CB-CE2 4.07Å; N626-F631 HydrophobicContact CB-CG 4.28Å; N626-F631 HydrophobicContact CB-CZ 4.1Å; D628-F631 VanDerWaalsContact O-CB 3.23Å; D628-F631 WeakPolarHBondContact O-CB 3.46Å; D628-F631 PolarHBondContact O-N 3.14Å |
| 632 | N | 90 | Very high | 89.2 | Confident | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | trans | -137.7 | 131.7 | 170.2 | -171.8 | -71.8 | 0 | 0 | 0 | 110.3 | T622 S623 S630 Y634 N635 M643 | T622-N632 HydrophobicContact CG2-CB 3.81Å; S623-N632 PolarHBondContact O-N 2.59Å; S630-N632 PolarHBondContact O-N 2.8Å; N632-Y634 PolarHBondContact O-N 2.95Å; N632-Y634 WeakPolarHBondContact OD1-CB 3.11Å; N632-Y634 PolarHBondContact OD1-N 3.36Å; N632-N635 PolarHBondContact O-N 3.14Å; N632-M643 WeakPolarHBondContact ND2-CE 3.37Å | ||
| 633 | P | 89.5 | Confident | 89.3 | Confident | 13 Ų | 13 | 47.1 Ų | 47.1 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -22.4 | -174.4 | 27.8 | -36.8 | 0 | 0 | 0 | 113.9 | D469 F510 K636 | D469-P633 HydrophobicContact CB-CB 4.25Å; D469-P633 VanDerWaalsContact CG-CB 3.42Å; D469-P633 WeakPolarHBondContact OD2-CB 3.16Å; F510-P633 HydrophobicContact CB-CG 4.1Å; F510-P633 HydrophobicContact CD1-CG 4.49Å; F510-P633 HydrophobicContact CD2-CG 3.8Å; F510-P633 HydrophobicContact CE2-CG 4.36Å; F510-P633 HydrophobicContact CG-CG 3.88Å; P633-K636 WeakPolarHBondContact O-CE 3.37Å; P633-K636 PolarHBondContact O-NZ 2.75Å |
| 634 | Y | 91.4 | Very high | 89.6 | Confident | 51 Ų | 51 | 47.1 Ų | 47.1 | 20% | 0.2 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -21.2 | 174.5 | -67.8 | -73.9 | 0 | 0 | 0 | 113.2 | N508 H533 I535 F537 N632 K636 L699 | N508-Y634 PolarHBondContact ND2-OH 2.9Å; H533-Y634 AromaticContact CE1-CZ 3.94Å; H533-Y634 PolarHBondContact CE1-OH 3.46Å; I535-Y634 HydrophobicContact CD1-CD1 3.63Å; I535-Y634 HydrophobicContact CD1-CD2 3.82Å; I535-Y634 HydrophobicContact CD1-CE1 3.78Å; I535-Y634 HydrophobicContact CD1-CE2 3.98Å; I535-Y634 HydrophobicContact CD1-CG 3.65Å; F537-Y634 WeakPolarHBondContact CE2-O 3.22Å; N632-Y634 PolarHBondContact O-N 2.95Å; N632-Y634 WeakPolarHBondContact OD1-CB 3.11Å; N632-Y634 PolarHBondContact OD1-N 3.36Å; Y634-K636 PolarHBondContact O-N 3.16Å; Y634-K636 VanDerWaalsContact O-N 3.16Å; Y634-L699 HydrophobicContact CD1-CD1 4.38Å |
| 635 | N | 92.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -77.1 | 104.7 | 174.2 | -175.1 | -0.9 | 0 | 0 | 0 | 109.3 | F537 T622 D624 N632 Y637 G638 | F537-N635 HydrophobicContact CE1-CB 3.94Å; F537-N635 HydrophobicContact CZ-CB 3.84Å; T622-N635 PolarHBondContact OG1-ND2 3.43Å; D624-N635 WeakPolarHBondContact CB-O 3.37Å; N632-N635 PolarHBondContact O-N 3.14Å; N635-Y637 PolarHBondContact OD1-N 2.85Å; N635-G638 PolarHBondContact ND2-O 3.32Å; N635-G638 PolarHBondContact OD1-N 2.71Å; N635-G638 PolarHBondContact OD1-O 3.17Å | ||
| 636 | K | 92.3 | Very high | 90.1 | Very high | 136 Ų | 136 | 40.7 Ų | 40.7 | 59% | 0.591 | 20% | 0.199 | S | C | * | . | trans | -114.9 | 18.4 | 172.8 | -55.5 | -55.7 | -170.3 | -152 | 0 | 111.7 | P633 Y634 | P633-K636 WeakPolarHBondContact O-CE 3.37Å; P633-K636 PolarHBondContact O-NZ 2.75Å; Y634-K636 PolarHBondContact O-N 3.16Å; Y634-K636 VanDerWaalsContact O-N 3.16Å | ||
| 637 | Y | 92 | Very high | 90.8 | Very high | 61 Ų | 61 | 37.4 Ų | 37.4 | 24% | 0.239 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -115.4 | -8.6 | -165.4 | -51 | -72.5 | 0 | 0 | 0 | 113.6 | F537 N635 F641 L699 V701 | F537-Y637 HydrophobicContact CD2-CD2 4.2Å; F537-Y637 AromaticContact CD2-CE2 3.8Å; F537-Y637 HydrophobicContact CD2-CE2 3.8Å; F537-Y637 HydrophobicContact CE2-CE2 4.14Å; F537-Y637 HydrophobicContact CG-CD2 4.42Å; F537-Y637 HydrophobicContact CG-CE2 4.41Å; N635-Y637 PolarHBondContact OD1-N 2.85Å; Y637-F641 HydrophobicContact CG-CE1 4.29Å; Y637-F641 HydrophobicContact CG-CZ 4.19Å; Y637-F641 VanDerWaalsContact O-CE2 3.3Å; Y637-F641 WeakPolarHBondContact O-CE2 3.07Å; Y637-L699 HydrophobicContact CE2-CD2 4.11Å; Y637-L699 WeakPolarHBondContact OH-CD2 3.47Å; Y637-V701 HydrophobicContact CD1-CG1 4.24Å; Y637-V701 HydrophobicContact CD2-CG1 4.34Å; Y637-V701 HydrophobicContact CD2-CG2 4.45Å; Y637-V701 HydrophobicContact CE1-CG1 4.29Å; Y637-V701 HydrophobicContact CE1-CG2 3.81Å; Y637-V701 HydrophobicContact CE2-CG1 4.39Å; Y637-V701 HydrophobicContact CE2-CG2 3.71Å; Y637-V701 HydrophobicContact CG-CG1 4.28Å; Y637-V701 WeakPolarHBondContact OH-CG2 3.5Å |
| 638 | G | 91.1 | Very high | 91.6 | Very high | 16 Ų | 16 | 32.8 Ų | 32.8 | 17% | 0.165 | 16% | 0.157 | C | C | . | . | trans | 108 | -163.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D624 N635 F641 | D624-G638 VanDerWaalsContact CG-CA 3.41Å; D624-G638 WeakPolarHBondContact OD1-CA 3.32Å; D624-G638 VanDerWaalsContact OD2-CA 3.26Å; D624-G638 WeakPolarHBondContact OD2-CA 3.45Å; D624-G638 PolarHBondContact OD2-N 3.18Å; N635-G638 PolarHBondContact ND2-O 3.32Å; N635-G638 PolarHBondContact OD1-N 2.71Å; N635-G638 PolarHBondContact OD1-O 3.17Å; G638-F641 WeakPolarHBondContact O-CD2 3.44Å | ||
| 639 | N | 89.6 | Confident | 92.2 | Very high | 89 Ų | 89 | 30.8 Ų | 30.8 | 48% | 0.476 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -69.4 | 161.6 | 176.9 | -65.4 | -30.3 | 0 | 0 | 0 | 112.6 | F641 | N639-F641 VanDerWaalsContact C-N 3.32Å; N639-F641 WeakPolarHBondContact O-CD2 3.38Å; N639-F641 PolarHBondContact O-N 3.01Å |
| 640 | H | 93 | Very high | 92.9 | Very high | 49 Ų | 49 | 25.6 Ų | 25.6 | 23% | 0.227 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 69.6 | 22.8 | 172.9 | -42.3 | -72.9 | 0 | 0 | 0 | 115.2 | R539 K540 E541 W621 | R539-H640 CarbonylContact C-O 3.57Å; R539-H640 VanDerWaalsContact CA-O 3.29Å; R539-H640 WeakPolarHBondContact CA-O 3.38Å; K540-H640 PolarHBondContact N-O 2.89Å; E541-H640 HydrophobicContact CB-CB 4.43Å; W621-H640 HydrophobicContact CH2-CB 4.13Å; W621-H640 AromaticContact CH2-ND1 3.51Å; W621-H640 HydrophobicContact CZ3-CB 4.48Å |
| 641 | F | 95.4 | Very high | 93.4 | Very high | 13 Ų | 13 | 28.7 Ų | 28.7 | 6% | 0.057 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 119.4 | 175 | -82.6 | -87.9 | 0 | 0 | 0 | 110.9 | F537 I538 R539 T622 Y637 G638 N639 V701 | F537-F641 HydrophobicContact CB-CD1 3.96Å; F537-F641 HydrophobicContact CD1-CB 3.91Å; F537-F641 HydrophobicContact CD1-CD1 4.28Å; F537-F641 HydrophobicContact CE1-CB 4.37Å; F537-F641 HydrophobicContact CG-CD1 4.41Å; I538-F641 WeakPolarHBondContact O-CA 3.28Å; R539-F641 HydrophobicContact CB-CD1 3.98Å; R539-F641 HydrophobicContact CB-CD2 4.4Å; R539-F641 HydrophobicContact CB-CE1 3.57Å; R539-F641 HydrophobicContact CB-CE2 3.99Å; R539-F641 HydrophobicContact CB-CG 4.41Å; R539-F641 HydrophobicContact CB-CZ 3.58Å; R539-F641 HydrophobicContact CG-CD2 4.25Å; R539-F641 HydrophobicContact CG-CE1 4.32Å; R539-F641 HydrophobicContact CG-CE2 3.82Å; R539-F641 HydrophobicContact CG-CZ 3.89Å; T622-F641 PolarHBondContact N-O 2.93Å; T622-F641 PolarHBondContact OG1-O 3.31Å; Y637-F641 HydrophobicContact CG-CE1 4.29Å; Y637-F641 HydrophobicContact CG-CZ 4.19Å; Y637-F641 VanDerWaalsContact O-CE2 3.3Å; Y637-F641 WeakPolarHBondContact O-CE2 3.07Å; G638-F641 WeakPolarHBondContact O-CD2 3.44Å; N639-F641 VanDerWaalsContact C-N 3.32Å; N639-F641 WeakPolarHBondContact O-CD2 3.38Å; N639-F641 PolarHBondContact O-N 3.01Å; F641-V701 HydrophobicContact CE1-CG1 3.7Å; F641-V701 HydrophobicContact CZ-CG1 4.43Å |
| 642 | W | 95.7 | Very high | 93.7 | Very high | 6 Ų | 6 | 33.4 Ų | 33.4 | 2% | 0.023 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 138.5 | 170.6 | -67.2 | 84.6 | 0 | 0 | 0 | 109.8 | F537 I538 K540 T542 Q546 V548 M619 L620 W621 | F537-W642 CarbonylContact C-O 3.45Å; F537-W642 VanDerWaalsContact CA-O 3.25Å; F537-W642 WeakPolarHBondContact CA-O 3.43Å; I538-W642 PolarHBondContact N-O 3.14Å; I538-W642 PolarHBondContact O-N 2.88Å; K540-W642 PolarHBondContact O-NE1 2.92Å; T542-W642 HydrophobicContact CG2-CZ2 3.67Å; T542-W642 WeakPolarHBondContact OG1-CZ2 3.44Å; Q546-W642 WeakPolarHBondContact O-CH2 3.34Å; Q546-W642 WeakPolarHBondContact O-CZ2 3.43Å; V548-W642 HydrophobicContact CB-CB 4.28Å; V548-W642 HydrophobicContact CB-CD2 3.68Å; V548-W642 HydrophobicContact CB-CE3 4.11Å; V548-W642 HydrophobicContact CB-CG 3.77Å; V548-W642 HydrophobicContact CG1-CG 4.42Å; V548-W642 HydrophobicContact CG2-CD2 3.7Å; V548-W642 VanDerWaalsContact CG2-CE2 3.43Å; V548-W642 HydrophobicContact CG2-CE3 4.49Å; V548-W642 HydrophobicContact CG2-CG 3.77Å; V548-W642 HydrophobicContact CG2-CZ2 4.06Å; M619-W642 HydrophobicContact CB-CB 3.83Å; M619-W642 HydrophobicContact CB-CE3 4.07Å; M619-W642 HydrophobicContact CE-CB 4.11Å; M619-W642 VanDerWaalsContact CE-O 3.24Å; M619-W642 WeakPolarHBondContact CE-O 3.36Å; M619-W642 VanDerWaalsContact O-CE3 3.27Å; M619-W642 WeakPolarHBondContact O-CZ3 3.27Å; M619-W642 HydrophobicContact SD-CB 4Å; L620-W642 CarbonylContact O-C 3.47Å; L620-W642 WeakPolarHBondContact O-CA 3.48Å; W621-W642 HydrophobicContact CB-CE3 4.15Å; W621-W642 HydrophobicContact CB-CH2 4.13Å; W621-W642 HydrophobicContact CB-CZ3 3.9Å; W621-W642 HydrophobicContact CD2-CZ2 4.43Å; W621-W642 AromaticContact CE3-CD2 3.91Å; W621-W642 HydrophobicContact CE3-CD2 3.91Å; W621-W642 AromaticContact CE3-CE2 3.31Å; W621-W642 HydrophobicContact CE3-CG 4.37Å; W621-W642 HydrophobicContact CE3-CH2 4.12Å; W621-W642 AromaticContact CE3-CZ2 3.45Å; W621-W642 HydrophobicContact CE3-CZ2 3.45Å; W621-W642 VanDerWaalsContact CE3-CZ2 3.45Å; W621-W642 AromaticContact CE3-NE1 3.39Å; W621-W642 AromaticContact CZ3-CE2 3.74Å; W621-W642 AromaticContact CZ3-CZ2 3.94Å; W621-W642 HydrophobicContact CZ3-CZ2 3.94Å; W621-W642 AromaticContact CZ3-NE1 3.38Å |
| 643 | M | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.1 | -174.2 | -166.2 | -179 | 67.9 | 0 | 0 | 111.7 | I535 V536 F537 D578 M619 L620 T622 N632 D645 | I535-M643 HydrophobicContact CG2-CG 3.87Å; I535-M643 HydrophobicContact CG2-SD 4.27Å; V536-M643 CarbonylContact O-C 3.6Å; V536-M643 WeakPolarHBondContact O-CA 3.35Å; F537-M643 HydrophobicContact CD1-CB 3.94Å; F537-M643 HydrophobicContact CD1-CG 4.12Å; F537-M643 HydrophobicContact CE1-CB 3.52Å; F537-M643 HydrophobicContact CE1-CG 3.6Å; F537-M643 HydrophobicContact CE1-SD 3.97Å; F537-M643 HydrophobicContact CE2-CG 4.27Å; F537-M643 HydrophobicContact CE2-SD 4.29Å; F537-M643 HydrophobicContact CZ-CB 4.11Å; F537-M643 HydrophobicContact CZ-CG 3.67Å; F537-M643 HydrophobicContact CZ-SD 3.56Å; F537-M643 VanDerWaalsContact CZ-SD 3.56Å; D578-M643 HydrophobicContact CB-CE 4.31Å; M619-M643 CarbonylContact C-O 3.49Å; M619-M643 WeakPolarHBondContact CA-O 3.46Å; L620-M643 HydrophobicContact CD2-CE 4.1Å; L620-M643 PolarHBondContact N-O 3.21Å; L620-M643 PolarHBondContact O-N 3Å; T622-M643 HydrophobicContact CG2-CB 3.65Å; T622-M643 HydrophobicContact CG2-CE 4.45Å; T622-M643 HydrophobicContact CG2-SD 4.43Å; N632-M643 WeakPolarHBondContact ND2-CE 3.37Å; M643-D645 HydrophobicContact CE-CB 3.76Å; M643-D645 HydrophobicContact CG-CB 4.34Å; M643-D645 HydrophobicContact SD-CB 4.25Å |
| 644 | F | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 112.7 | 166.5 | 172.7 | -104.4 | 0 | 0 | 0 | 107.4 | I535 V536 L550 I574 M619 V646 M648 | I535-F644 CarbonylContact C-O 3.49Å; I535-F644 VanDerWaalsContact CA-O 3.31Å; I535-F644 WeakPolarHBondContact CA-O 3.49Å; V536-F644 HydrophobicContact CB-CB 4.24Å; V536-F644 HydrophobicContact CB-CD1 4.4Å; V536-F644 HydrophobicContact CG2-CD1 4.25Å; V536-F644 PolarHBondContact N-O 3.4Å; V536-F644 PolarHBondContact O-N 2.62Å; L550-F644 HydrophobicContact CD1-CB 3.58Å; L550-F644 HydrophobicContact CD1-CD1 3.66Å; L550-F644 HydrophobicContact CD1-CD2 4.26Å; L550-F644 HydrophobicContact CD1-CE1 4.35Å; L550-F644 HydrophobicContact CD1-CG 3.59Å; L550-F644 HydrophobicContact CG-CB 4.44Å; I574-F644 HydrophobicContact CD1-CE2 3.91Å; I574-F644 HydrophobicContact CD1-CZ 3.69Å; I574-F644 HydrophobicContact CG2-CZ 4.26Å; M619-F644 HydrophobicContact CE-CB 3.75Å; M619-F644 HydrophobicContact CG-CB 4.31Å; F644-V646 HydrophobicContact CD1-CG1 4.25Å; F644-V646 HydrophobicContact CD1-CG2 4.16Å; F644-V646 HydrophobicContact CD2-CG1 4.1Å; F644-V646 HydrophobicContact CE1-CB 4.29Å; F644-V646 HydrophobicContact CE1-CG1 3.77Å; F644-V646 HydrophobicContact CE1-CG2 3.46Å; F644-V646 VanDerWaalsContact CE1-CG2 3.46Å; F644-V646 HydrophobicContact CE2-CG1 3.57Å; F644-V646 HydrophobicContact CG-CG1 4.42Å; F644-V646 HydrophobicContact CZ-CB 4.26Å; F644-V646 HydrophobicContact CZ-CG1 3.41Å; F644-V646 VanDerWaalsContact CZ-CG1 3.41Å; F644-V646 HydrophobicContact CZ-CG2 3.82Å; F644-M648 HydrophobicContact CE1-CE 4.28Å |
| 645 | D | 94.4 | Very high | 94.2 | Very high | 7 Ų | 7 | 35.5 Ų | 35.5 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 108.9 | -171.2 | -177.4 | 4.7 | 0 | 0 | 0 | 110.7 | H533 I535 V577 D578 M643 | H533-D645 IonicContact CD2-OD1 3.53Å; H533-D645 PolarHBondContact CD2-OD1 2.04Å; H533-D645 IonicContact CE1-OD1 2.68Å; H533-D645 IonicContact NE2-OD1 2.65Å; H533-D645 PolarHBondContact NE2-OD1 3Å; H533-D645 IonicContact NE2-OD2 3.43Å; I535-D645 HydrophobicContact CG1-CB 4.36Å; V577-D645 PolarHBondContact N-O 3.47Å; D578-D645 HydrophobicContact CB-CB 3.91Å; D578-D645 PolarHBondContact N-O 3.26Å; M643-D645 HydrophobicContact CE-CB 3.76Å; M643-D645 HydrophobicContact CG-CB 4.34Å; M643-D645 HydrophobicContact SD-CB 4.25Å |
| 646 | V | 94.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 158.3 | -171.1 | -57.1 | 0 | 0 | 0 | 0 | 113.4 | H533 T534 I574 V575 F644 M648 | H533-V646 CarbonylContact C-O 3.57Å; H533-V646 WeakPolarHBondContact CA-O 3.39Å; T534-V646 PolarHBondContact N-O 3.1Å; T534-V646 PolarHBondContact O-N 2.94Å; T534-V646 VanDerWaalsContact O-N 3.08Å; I574-V646 HydrophobicContact CB-CB 4.09Å; I574-V646 HydrophobicContact CB-CG1 4.24Å; I574-V646 HydrophobicContact CB-CG2 4.23Å; I574-V646 HydrophobicContact CD1-CG1 4.24Å; I574-V646 HydrophobicContact CG2-CB 4.39Å; I574-V646 HydrophobicContact CG2-CG2 3.96Å; V575-V646 CarbonylContact O-C 3.55Å; V575-V646 VanDerWaalsContact O-CA 3.23Å; V575-V646 WeakPolarHBondContact O-CA 3.35Å; V575-V646 WeakPolarHBondContact O-CB 3.45Å; F644-V646 HydrophobicContact CD1-CG1 4.25Å; F644-V646 HydrophobicContact CD1-CG2 4.16Å; F644-V646 HydrophobicContact CD2-CG1 4.1Å; F644-V646 HydrophobicContact CE1-CB 4.29Å; F644-V646 HydrophobicContact CE1-CG1 3.77Å; F644-V646 HydrophobicContact CE1-CG2 3.46Å; F644-V646 VanDerWaalsContact CE1-CG2 3.46Å; F644-V646 HydrophobicContact CE2-CG1 3.57Å; F644-V646 HydrophobicContact CG-CG1 4.42Å; F644-V646 HydrophobicContact CZ-CB 4.26Å; F644-V646 HydrophobicContact CZ-CG1 3.41Å; F644-V646 VanDerWaalsContact CZ-CG1 3.41Å; F644-V646 HydrophobicContact CZ-CG2 3.82Å; V646-M648 HydrophobicContact CG2-CB 4.19Å; V646-M648 HydrophobicContact CG2-CE 4.29Å |
| 647 | M | 94.9 | Very high | 94.4 | Very high | 15 Ų | 15 | 31.2 Ų | 31.2 | 7% | 0.074 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 118.8 | 153.6 | -60 | -63.6 | -65.3 | 0 | 0 | 108.4 | V480 V500 L527 F531 H533 I574 V575 V577 | V480-M647 HydrophobicContact CG2-CE 3.91Å; V480-M647 HydrophobicContact CG2-CG 3.92Å; V480-M647 HydrophobicContact CG2-SD 4.11Å; V500-M647 HydrophobicContact CG2-SD 3.94Å; L527-M647 HydrophobicContact CD1-CB 3.96Å; L527-M647 HydrophobicContact CD1-CG 4.13Å; F531-M647 HydrophobicContact CB-CB 4.49Å; F531-M647 HydrophobicContact CB-CE 4.26Å; F531-M647 HydrophobicContact CD1-CB 3.97Å; H533-M647 HydrophobicContact CB-SD 3.82Å; I574-M647 CarbonylContact C-O 3.44Å; I574-M647 VanDerWaalsContact CA-O 3.23Å; I574-M647 WeakPolarHBondContact CA-O 3.44Å; V575-M647 HydrophobicContact CB-CB 4.22Å; V575-M647 PolarHBondContact N-O 2.84Å; V575-M647 PolarHBondContact O-N 3.16Å; V577-M647 HydrophobicContact CG2-CG 3.62Å; V577-M647 HydrophobicContact CG2-SD 4.25Å |
| 648 | M | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 132.6 | -176.8 | -176.8 | 178.3 | -71.1 | 0 | 0 | 111.3 | F531 K532 T534 I572 I574 L597 F644 V646 C650 T653 F658 C696 | F531-M648 CarbonylContact C-O 3.6Å; F531-M648 VanDerWaalsContact CA-O 3.23Å; F531-M648 WeakPolarHBondContact CA-O 3.4Å; K532-M648 PolarHBondContact N-O 2.91Å; K532-M648 PolarHBondContact O-N 2.91Å; T534-M648 HydrophobicContact CG2-CE 4.09Å; T534-M648 HydrophobicContact CG2-SD 4.28Å; I572-M648 HydrophobicContact CG2-CG 3.47Å; I572-M648 VanDerWaalsContact CG2-CG 3.47Å; I572-M648 HydrophobicContact CG2-SD 4.15Å; I574-M648 HydrophobicContact CG2-CE 4.49Å; I574-M648 HydrophobicContact CG2-CG 4.47Å; L597-M648 HydrophobicContact CD2-CE 4.03Å; F644-M648 HydrophobicContact CE1-CE 4.28Å; V646-M648 HydrophobicContact CG2-CB 4.19Å; V646-M648 HydrophobicContact CG2-CE 4.29Å; M648-C650 PolarHBondContact O-N 3.21Å; M648-T653 HydrophobicContact SD-CG2 4.34Å; M648-F658 HydrophobicContact CE-CD1 4.09Å; M648-F658 HydrophobicContact CE-CD2 4.22Å; M648-F658 HydrophobicContact CE-CE1 3.88Å; M648-F658 HydrophobicContact CE-CE2 4.02Å; M648-F658 HydrophobicContact CE-CG 4.25Å; M648-F658 HydrophobicContact CE-CZ 3.84Å; M648-F658 HydrophobicContact SD-CD1 3.5Å; M648-F658 WeakPolarHBondContact SD-CD1 3.01Å; M648-F658 HydrophobicContact SD-CE1 3.69Å; M648-F658 HydrophobicContact SD-CG 3.94Å; M648-F658 HydrophobicContact SD-CZ 4.28Å; M648-C696 HydrophobicContact SD-CB 4.25Å |
| 649 | D | 96.4 | Very high | 94.8 | Very high | 15 Ų | 15 | 27.5 Ų | 27.5 | 8% | 0.08 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 93.1 | 175 | -172.1 | -1.1 | 0 | 0 | 0 | 111.6 | S530 F531 R573 S651 K652 | S530-D649 WeakPolarHBondContact CB-OD1 3.46Å; S530-D649 PolarHBondContact OG-OD1 3.17Å; F531-D649 HydrophobicContact CD1-CB 4.41Å; F531-D649 HydrophobicContact CD2-CB 4.04Å; F531-D649 HydrophobicContact CE1-CB 4.02Å; F531-D649 HydrophobicContact CE2-CB 3.6Å; F531-D649 HydrophobicContact CG-CB 4.44Å; F531-D649 HydrophobicContact CZ-CB 3.61Å; R573-D649 HydrophobicContact CB-CB 4.3Å; R573-D649 PolarHBondContact O-N 3.18Å; D649-S651 VanDerWaalsContact CG-OG 3.23Å; D649-S651 PolarHBondContact O-N 3.1Å; D649-S651 VanDerWaalsContact OD1-CB 3.32Å; D649-S651 WeakPolarHBondContact OD1-CB 3.4Å; D649-S651 PolarHBondContact OD1-N 3.18Å; D649-S651 PolarHBondContact OD1-OG 3.02Å; D649-S651 PolarHBondContact OD2-OG 3Å; D649-K652 HydrophobicContact CB-CG 4.25Å; D649-K652 PolarHBondContact O-N 3.46Å; D649-K652 WeakPolarHBondContact OD2-CG 3.42Å |
| 650 | C | 97 | Very high | 95.2 | Very high | 27 Ų | 27 | 23.3 Ų | 23.3 | 18% | 0.182 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -65 | -13.6 | -179.4 | -51.8 | 0 | 0 | 0 | 0 | 113.2 | S530 K532 M648 K652 T653 C696 | S530-C650 VanDerWaalsContact O-CB 3.27Å; S530-C650 WeakPolarHBondContact O-CB 3.48Å; S530-C650 PolarHBondContact O-N 2.95Å; S530-C650 PolarHBondContact O-SG 2.97Å; S530-C650 VanDerWaalsContact O-SG 3.37Å; K532-C650 VanDerWaalsContact CB-SG 3.55Å; K532-C650 WeakPolarHBondContact CG-SG 3.36Å; M648-C650 PolarHBondContact O-N 3.21Å; C650-K652 PolarHBondContact O-N 3.45Å; C650-T653 WeakPolarHBondContact O-CB 3Å; C650-T653 PolarHBondContact O-N 2.89Å; C650-T653 PolarHBondContact O-OG1 3.15Å; C650-C696 WeakPolarHBondContact CA-SG 3.46Å; C650-C696 HydrophobicContact CB-CB 3.85Å; C650-C696 WeakPolarHBondContact CB-SG 3.43Å; C650-C696 WeakPolarHBondContact SG-CB 3.49Å; C650-C696 CovalentContact SG-SG 2.03Å; C650-C696 PolarHBondContact SG-SG 2.74Å |
| 651 | S | 95.6 | Very high | 95.3 | Very high | 79 Ų | 79 | 23.4 Ų | 23.4 | 55% | 0.552 | 15% | 0.149 | S | C | * | . | G | 310 helix | trans | -70 | -18.9 | 174.5 | 76.1 | 0 | 0 | 0 | 0 | 112.9 | D649 | D649-S651 VanDerWaalsContact CG-OG 3.23Å; D649-S651 PolarHBondContact O-N 3.1Å; D649-S651 VanDerWaalsContact OD1-CB 3.32Å; D649-S651 WeakPolarHBondContact OD1-CB 3.4Å; D649-S651 PolarHBondContact OD1-N 3.18Å; D649-S651 PolarHBondContact OD1-OG 3.02Å; D649-S651 PolarHBondContact OD2-OG 3Å |
| 652 | K | 94.7 | Very high | 95.3 | Very high | 118 Ų | 118 | 22.8 Ų | 22.8 | 51% | 0.513 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -91.8 | 0.2 | 175 | -58.2 | -61 | -178.6 | 178.5 | 0 | 113 | V554 I572 D649 C650 | V554-K652 WeakPolarHBondContact CG1-O 3.21Å; I572-K652 HydrophobicContact CB-CB 4.41Å; I572-K652 HydrophobicContact CG1-CB 4.07Å; I572-K652 HydrophobicContact CG2-CB 4.24Å; D649-K652 HydrophobicContact CB-CG 4.25Å; D649-K652 PolarHBondContact O-N 3.46Å; D649-K652 WeakPolarHBondContact OD2-CG 3.42Å; C650-K652 PolarHBondContact O-N 3.45Å |
| 653 | T | 95.4 | Very high | 95.4 | Very high | 16 Ų | 16 | 22.7 Ų | 22.7 | 10% | 0.098 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -93.1 | 158.6 | 178.9 | 70.8 | 0 | 0 | 0 | 0 | 111.2 | I572 M648 C650 G655 G656 W657 F658 C696 | I572-T653 HydrophobicContact CD1-CG2 4.01Å; M648-T653 HydrophobicContact SD-CG2 4.34Å; C650-T653 WeakPolarHBondContact O-CB 3Å; C650-T653 PolarHBondContact O-N 2.89Å; C650-T653 PolarHBondContact O-OG1 3.15Å; T653-G655 PolarHBondContact O-N 3.33Å; T653-G656 WeakPolarHBondContact OG1-CA 3.36Å; T653-G656 PolarHBondContact OG1-N 2.99Å; T653-G656 VanDerWaalsContact OG1-N 3.16Å; T653-W657 VanDerWaalsContact CB-O 3.31Å; T653-W657 WeakPolarHBondContact CB-O 3.34Å; T653-F658 HydrophobicContact CG2-CB 4.33Å; T653-C696 HydrophobicContact CG2-CB 3.96Å |
| 654 | A | 93.2 | Very high | 95.4 | Very high | 21 Ų | 21 | 22.7 Ų | 22.7 | 17% | 0.174 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -85.4 | 91.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | T558 G656 W657 Y687 | T558-A654 HydrophobicContact CG2-CB 3.9Å; A654-G656 PolarHBondContact O-N 2.84Å; A654-W657 PolarHBondContact N-O 3.13Å; A654-W657 WeakPolarHBondContact O-CB 3.41Å; A654-W657 PolarHBondContact O-N 2.89Å; A654-W657 VanDerWaalsContact O-N 3.08Å; A654-Y687 HydrophobicContact CB-CE1 4.04Å |
| 655 | G | 91.7 | Very high | 95.1 | Very high | 78 Ų | 78 | 25.6 Ų | 25.6 | 80% | 0.804 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 31.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | T653 | T653-G655 PolarHBondContact O-N 3.33Š|
| 656 | G | 94.4 | Very high | 95 | Very high | 22 Ų | 22 | 29.1 Ų | 29.1 | 23% | 0.227 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | -0.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | T653 A654 C696 | T653-G656 WeakPolarHBondContact OG1-CA 3.36Å; T653-G656 PolarHBondContact OG1-N 2.99Å; T653-G656 VanDerWaalsContact OG1-N 3.16Å; A654-G656 PolarHBondContact O-N 2.84Å; G656-C696 WeakPolarHBondContact O-CB 3Å; G656-C696 PolarHBondContact O-N 3.13Å |
| 657 | W | 95.5 | Very high | 94.8 | Very high | 23 Ų | 23 | 34.7 Ų | 34.7 | 9% | 0.087 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 139.8 | -177.1 | -62.3 | 89.5 | 0 | 0 | 0 | 112.5 | T653 A654 V683 L685 P686 Y687 L693 G694 R695 Y711 | T653-W657 VanDerWaalsContact CB-O 3.31Å; T653-W657 WeakPolarHBondContact CB-O 3.34Å; A654-W657 PolarHBondContact N-O 3.13Å; A654-W657 WeakPolarHBondContact O-CB 3.41Å; A654-W657 PolarHBondContact O-N 2.89Å; A654-W657 VanDerWaalsContact O-N 3.08Å; W657-V683 HydrophobicContact CH2-CG1 3.95Å; W657-V683 HydrophobicContact CZ2-CG1 4.24Å; W657-L685 HydrophobicContact CZ3-CD2 4.48Å; W657-P686 HydrophobicContact CB-CG 4.2Å; W657-P686 HydrophobicContact CD2-CG 3.81Å; W657-P686 HydrophobicContact CG-CB 4.49Å; W657-P686 HydrophobicContact CG-CG 3.62Å; W657-Y687 HydrophobicContact CB-CE1 4.28Å; W657-L693 HydrophobicContact CE3-CB 4.12Å; W657-L693 HydrophobicContact CZ3-CB 4.37Å; W657-G694 WeakPolarHBondContact CA-O 3.26Å; W657-R695 HydrophobicContact CD2-CG 4.45Å; W657-R695 HydrophobicContact CE3-CB 4.15Å; W657-R695 HydrophobicContact CE3-CG 4.5Å; W657-R695 HydrophobicContact CH2-CB 4.35Å; W657-R695 HydrophobicContact CH2-CG 4.45Å; W657-R695 HydrophobicContact CZ2-CG 4.4Å; W657-R695 HydrophobicContact CZ3-CB 4.02Å; W657-R695 HydrophobicContact CZ3-CG 4.48Å; W657-Y711 HydrophobicContact CH2-CD2 4.29Å; W657-Y711 AromaticContact CH2-CE2 3.7Å; W657-Y711 HydrophobicContact CH2-CE2 3.7Å; W657-Y711 AromaticContact CH2-CZ 3.96Å; W657-Y711 HydrophobicContact CZ3-CE1 4.12Å; W657-Y711 AromaticContact CZ3-CE2 3.79Å; W657-Y711 HydrophobicContact CZ3-CE2 3.79Å; W657-Y711 AromaticContact CZ3-CZ 3.52Å; W657-Y711 WeakPolarHBondContact CZ3-OH 3.47Å |
| 658 | F | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 156.7 | 173 | 64.8 | -85.7 | 0 | 0 | 0 | 109.8 | T534 V536 I572 L597 M648 T653 F660 L693 G694 | T534-F658 HydrophobicContact CG2-CE1 3.82Å; T534-F658 HydrophobicContact CG2-CZ 4.04Å; V536-F658 HydrophobicContact CG2-CE2 4.21Å; V536-F658 HydrophobicContact CG2-CZ 3.82Å; I572-F658 HydrophobicContact CD1-CB 3.41Å; I572-F658 VanDerWaalsContact CD1-CB 3.41Å; I572-F658 HydrophobicContact CD1-CG 4.4Å; L597-F658 HydrophobicContact CD2-CD2 3.7Å; L597-F658 HydrophobicContact CD2-CE2 4.05Å; M648-F658 HydrophobicContact CE-CD1 4.09Å; M648-F658 HydrophobicContact CE-CD2 4.22Å; M648-F658 HydrophobicContact CE-CE1 3.88Å; M648-F658 HydrophobicContact CE-CE2 4.02Å; M648-F658 HydrophobicContact CE-CG 4.25Å; M648-F658 HydrophobicContact CE-CZ 3.84Å; M648-F658 HydrophobicContact SD-CD1 3.5Å; M648-F658 WeakPolarHBondContact SD-CD1 3.01Å; M648-F658 HydrophobicContact SD-CE1 3.69Å; M648-F658 HydrophobicContact SD-CG 3.94Å; M648-F658 HydrophobicContact SD-CZ 4.28Å; T653-F658 HydrophobicContact CG2-CB 4.33Å; F658-F660 AromaticContact CD2-CD1 3.97Å; F658-F660 HydrophobicContact CD2-CD1 3.97Å; F658-F660 AromaticContact CE2-CD1 3.57Å; F658-F660 HydrophobicContact CE2-CD1 3.57Å; F658-F660 HydrophobicContact CE2-CE1 4.14Å; F658-F660 HydrophobicContact CE2-CG 4.39Å; F658-L693 CarbonylContact O-C 3.58Å; F658-L693 WeakPolarHBondContact O-CA 3.39Å; F658-G694 VanDerWaalsContact CD1-O 3.3Å; F658-G694 WeakPolarHBondContact CD1-O 3.28Å; F658-G694 PolarHBondContact N-O 3.38Å; F658-G694 PolarHBondContact O-N 3.4Å |
| 659 | E | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 146.8 | 178.6 | -72.3 | 174.8 | -116.7 | 0 | 0 | 110.2 | G552 G553 M555 H557 W599 Y687 T689 N691 N692 L693 | G552-E659 CarbonylContact C-O 3.52Å; G552-E659 WeakPolarHBondContact CA-O 3.44Å; G553-E659 PolarHBondContact N-O 3.06Å; G553-E659 PolarHBondContact O-N 3.46Å; M555-E659 WeakPolarHBondContact CB-OE1 3.48Å; M555-E659 VanDerWaalsContact CG-OE2 3.23Å; M555-E659 WeakPolarHBondContact CG-OE2 3.46Å; H557-E659 IonicContact CE1-OE1 3.77Å; H557-E659 PolarHBondContact CE1-OE1 2.98Å; H557-E659 IonicContact CE1-OE2 3.94Å; H557-E659 IonicContact NE2-OE1 2.77Å; H557-E659 PolarHBondContact NE2-OE1 3.33Å; W599-E659 HydrophobicContact CH2-CB 4.12Å; W599-E659 HydrophobicContact CZ2-CB 3.61Å; E659-Y687 HydrophobicContact CG-CE2 4.22Å; E659-Y687 WeakPolarHBondContact OE1-CE2 3.37Å; E659-T689 HydrophobicContact CG-CG2 4.23Å; E659-T689 WeakPolarHBondContact OE2-CB 3.34Å; E659-T689 PolarHBondContact OE2-OG1 3.27Å; E659-N691 HydrophobicContact CB-CB 4.07Å; E659-N691 HydrophobicContact CG-CB 4.44Å; E659-N691 PolarHBondContact OE2-ND2 3.16Å; E659-N692 CarbonylContact C-O 3.59Å; E659-N692 VanDerWaalsContact CA-O 3.29Å; E659-N692 WeakPolarHBondContact CA-O 3.24Å; E659-L693 HydrophobicContact CG-CD2 3.55Å |
| 660 | F | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 164.4 | 175.5 | 70.7 | -88.4 | 0 | 0 | 0 | 112.7 | V536 I538 L550 R551 F658 N692 Y702 | V536-F660 HydrophobicContact CG1-CE1 4.45Å; V536-F660 HydrophobicContact CG1-CE2 4.21Å; V536-F660 HydrophobicContact CG1-CZ 3.94Å; I538-F660 HydrophobicContact CD1-CE2 3.8Å; I538-F660 HydrophobicContact CD1-CZ 4.23Å; L550-F660 HydrophobicContact CD2-CD2 3.69Å; L550-F660 HydrophobicContact CD2-CE2 4.08Å; R551-F660 CarbonylContact O-C 3.56Å; R551-F660 WeakPolarHBondContact O-CA 3.24Å; R551-F660 VanDerWaalsContact O-CB 3.28Å; R551-F660 WeakPolarHBondContact O-CB 3.38Å; F658-F660 AromaticContact CD2-CD1 3.97Å; F658-F660 HydrophobicContact CD2-CD1 3.97Å; F658-F660 AromaticContact CE2-CD1 3.57Å; F658-F660 HydrophobicContact CE2-CD1 3.57Å; F658-F660 HydrophobicContact CE2-CE1 4.14Å; F658-F660 HydrophobicContact CE2-CG 4.39Å; F660-N692 HydrophobicContact CD1-CB 4.26Å; F660-N692 HydrophobicContact CD2-CB 4.2Å; F660-N692 HydrophobicContact CE1-CB 3.83Å; F660-N692 HydrophobicContact CE2-CB 3.75Å; F660-N692 HydrophobicContact CG-CB 4.43Å; F660-N692 HydrophobicContact CZ-CB 3.55Å; F660-N692 PolarHBondContact N-O 3.06Å; F660-N692 WeakPolarHBondContact O-CB 3.3Å; F660-N692 PolarHBondContact O-N 2.61Å; F660-Y702 HydrophobicContact CE1-CE1 4.24Å; F660-Y702 AromaticContact CE1-CE2 3.86Å; F660-Y702 HydrophobicContact CE1-CE2 3.86Å; F660-Y702 AromaticContact CE1-CZ 3.69Å; F660-Y702 HydrophobicContact CZ-CD1 4.11Å; F660-Y702 AromaticContact CZ-CD2 3.72Å; F660-Y702 HydrophobicContact CZ-CD2 3.72Å; F660-Y702 AromaticContact CZ-CE1 3.85Å; F660-Y702 HydrophobicContact CZ-CE1 3.85Å; F660-Y702 AromaticContact CZ-CE2 3.41Å; F660-Y702 HydrophobicContact CZ-CE2 3.41Å; F660-Y702 VanDerWaalsContact CZ-CE2 3.41Å; F660-Y702 HydrophobicContact CZ-CG 4.08Å; F660-Y702 AromaticContact CZ-CZ 3.51Å |
| 661 | K | 95.6 | Very high | 94 | Very high | 51 Ų | 51 | 44.7 Ų | 44.7 | 22% | 0.222 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 140.2 | 163 | -71.1 | -172.9 | 175.7 | -173.2 | 0 | 109.1 | R551 W599 I663 E669 N691 | R551-K661 PolarHBondContact N-O 3.09Å; R551-K661 PolarHBondContact O-N 3.4Å; W599-K661 HydrophobicContact CZ3-CB 4.49Å; W599-K661 HydrophobicContact CZ3-CG 4.23Å; K661-I663 HydrophobicContact CB-CG1 4.22Å; K661-E669 WeakPolarHBondContact CD-OE2 3.4Å; K661-E669 IonicContact NZ-OE1 2.72Å; K661-E669 IonicContact NZ-OE2 2.66Å; K661-E669 PolarHBondContact NZ-OE2 3.21Å; K661-N691 WeakPolarHBondContact CE-OD1 3.44Å |
| 662 | A | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 133.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | I538 V548 F549 L550 E669 S670 F704 | I538-A662 HydrophobicContact CB-CB 4.48Å; I538-A662 HydrophobicContact CD1-CB 4.17Å; I538-A662 HydrophobicContact CG1-CB 3.9Å; I538-A662 HydrophobicContact CG2-CB 3.92Å; V548-A662 HydrophobicContact CG1-CB 4.26Å; F549-A662 CarbonylContact O-C 3.56Å; F549-A662 WeakPolarHBondContact O-CA 3.23Å; L550-A662 HydrophobicContact CD2-CB 3.9Å; A662-E669 CarbonylContact O-C 3.57Å; A662-S670 PolarHBondContact N-OG 3.21Å; A662-S670 VanDerWaalsContact N-OG 3.11Å; A662-S670 PolarHBondContact O-N 3.46Å; A662-S670 PolarHBondContact O-OG 3.41Å; A662-F704 HydrophobicContact CB-CD2 4.09Å; A662-F704 HydrophobicContact CB-CE2 4.21Å |
| 663 | I | 96.4 | Very high | 92.6 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 136.7 | -173.7 | -46 | -179.2 | 0 | 0 | 0 | 107.9 | V548 F549 R551 I615 K661 Q668 E669 | V548-I663 CarbonylContact C-O 3.6Å; V548-I663 WeakPolarHBondContact CA-O 3.41Å; F549-I663 PolarHBondContact N-O 3.47Å; F549-I663 PolarHBondContact O-N 2.96Å; R551-I663 HydrophobicContact CB-CD1 4.11Å; R551-I663 HydrophobicContact CG-CD1 3.79Å; I615-I663 HydrophobicContact CD1-CB 4.47Å; I615-I663 HydrophobicContact CD1-CG2 4.03Å; K661-I663 HydrophobicContact CB-CG1 4.22Å; I663-Q668 VanDerWaalsContact CA-O 3.29Å; I663-Q668 WeakPolarHBondContact CA-O 3.42Å; I663-E669 HydrophobicContact CG1-CG 4.38Å; I663-E669 HydrophobicContact CG2-CG 4.48Å |
| 664 | T | 95.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 157.5 | 171.9 | 44.9 | 0 | 0 | 0 | 0 | 110.2 | K540 H547 V548 I615 D666 L667 Q668 F704 | K540-T664 HydrophobicContact CG-CG2 4.34Å; H547-T664 WeakPolarHBondContact O-CA 3.38Å; V548-T664 HydrophobicContact CG2-CG2 4.18Å; I615-T664 VanDerWaalsContact CD1-O 3.26Å; I615-T664 WeakPolarHBondContact CD1-O 3.09Å; T664-D666 WeakPolarHBondContact CB-OD1 3.1Å; T664-D666 PolarHBondContact O-N 3.18Å; T664-D666 PolarHBondContact OG1-OD1 3.13Å; T664-L667 WeakPolarHBondContact O-CA 3.26Å; T664-L667 PolarHBondContact O-N 2.88Å; T664-Q668 PolarHBondContact N-O 3.08Å; T664-Q668 WeakPolarHBondContact OG1-CA 3.22Å; T664-Q668 WeakPolarHBondContact OG1-CB 3.43Å; T664-Q668 PolarHBondContact OG1-N 3.17Å; T664-Q668 PolarHBondContact OG1-O 2.73Å; T664-Q668 VanDerWaalsContact OG1-O 3.11Å; T664-F704 HydrophobicContact CG2-CE2 4.21Å; T664-F704 HydrophobicContact CG2-CZ 4.19Å |
| 665 | D | 90.7 | Very high | 91.2 | Very high | 61 Ų | 61 | 49.8 Ų | 49.8 | 33% | 0.326 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -24.8 | 174.9 | 48.8 | 11.2 | 0 | 0 | 0 | 114.2 | Q546 H547 F549 L667 | Q546-D665 WeakPolarHBondContact CA-OD2 3.09Å; Q546-D665 WeakPolarHBondContact CG-OD1 3.4Å; H547-D665 IonicContact CD2-OD2 3.21Å; H547-D665 PolarHBondContact N-OD2 3.22Å; H547-D665 PolarHBondContact O-N 3.15Å; H547-D665 VanDerWaalsContact O-N 3.1Å; F549-D665 HydrophobicContact CE2-CB 4.19Å; D665-L667 PolarHBondContact O-N 2.91Å |
| 666 | D | 91.3 | Very high | 91.2 | Very high | 81 Ų | 81 | 46.2 Ų | 46.2 | 43% | 0.433 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 14.2 | 167.9 | 70.1 | -47 | 0 | 0 | 0 | 114.2 | Q546 T664 Q668 | Q546-D666 PolarHBondContact NE2-OD1 2.98Å; T664-D666 WeakPolarHBondContact CB-OD1 3.1Å; T664-D666 PolarHBondContact O-N 3.18Å; T664-D666 PolarHBondContact OG1-OD1 3.13Å; D666-Q668 VanDerWaalsContact C-N 3.3Å; D666-Q668 PolarHBondContact O-N 3.43Å; D666-Q668 WeakPolarHBondContact OD2-CG 3.49Å; D666-Q668 PolarHBondContact OD2-NE2 3.18Å |
| 667 | L | 91.4 | Very high | 91.1 | Very high | 117 Ų | 117 | 46.9 Ų | 46.9 | 61% | 0.613 | 24% | 0.242 | S | C | * | . | trans | 66 | 19.2 | 173.5 | -52.3 | 176.8 | 0 | 0 | 0 | 115.3 | I615 T664 D665 | I615-L667 HydrophobicContact CD1-CD2 4.11Å; T664-L667 WeakPolarHBondContact O-CA 3.26Å; T664-L667 PolarHBondContact O-N 2.88Å; D665-L667 PolarHBondContact O-N 2.91Å | ||
| 668 | Q | 93.6 | Very high | 90.9 | Very high | 84 Ų | 84 | 48.1 Ų | 48.1 | 39% | 0.393 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -70.7 | 134.9 | 166.3 | -47.1 | 177 | 3.2 | 0 | 0 | 109 | K540 I663 T664 D666 F704 | K540-Q668 VanDerWaalsContact NZ-OE1 3.11Å; I663-Q668 VanDerWaalsContact CA-O 3.29Å; I663-Q668 WeakPolarHBondContact CA-O 3.42Å; T664-Q668 PolarHBondContact N-O 3.08Å; T664-Q668 WeakPolarHBondContact OG1-CA 3.22Å; T664-Q668 WeakPolarHBondContact OG1-CB 3.43Å; T664-Q668 PolarHBondContact OG1-N 3.17Å; T664-Q668 PolarHBondContact OG1-O 2.73Å; T664-Q668 VanDerWaalsContact OG1-O 3.11Å; D666-Q668 VanDerWaalsContact C-N 3.3Å; D666-Q668 PolarHBondContact O-N 3.43Å; D666-Q668 WeakPolarHBondContact OD2-CG 3.49Å; D666-Q668 PolarHBondContact OD2-NE2 3.18Å; Q668-F704 HydrophobicContact CB-CE1 4.29Å; Q668-F704 HydrophobicContact CB-CZ 4.03Å; Q668-F704 WeakPolarHBondContact O-CZ 3.39Å |
| 669 | E | 93.7 | Very high | 90.4 | Very high | 101 Ų | 101 | 56.5 Ų | 56.5 | 47% | 0.472 | 29% | 0.286 | S | S | . | . | B | Isolated β-bridge | trans | -103.9 | 147.8 | 176.6 | -60.5 | -170.3 | 155.7 | 0 | 0 | 111.5 | K661 A662 I663 F704 | K661-E669 WeakPolarHBondContact CD-OE2 3.4Å; K661-E669 IonicContact NZ-OE1 2.72Å; K661-E669 IonicContact NZ-OE2 2.66Å; K661-E669 PolarHBondContact NZ-OE2 3.21Å; A662-E669 CarbonylContact O-C 3.57Å; I663-E669 HydrophobicContact CG1-CG 4.38Å; I663-E669 HydrophobicContact CG2-CG 4.48Å; E669-F704 VanDerWaalsContact C-CZ 3.45Å |
| 670 | S | 92.6 | Very high | 89.9 | Confident | 14 Ų | 14 | 61.7 Ų | 61.7 | 10% | 0.098 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 150.2 | 176.8 | 61.9 | 0 | 0 | 0 | 0 | 113.2 | A662 N692 F704 | A662-S670 PolarHBondContact N-OG 3.21Å; A662-S670 VanDerWaalsContact N-OG 3.11Å; A662-S670 PolarHBondContact O-N 3.46Å; A662-S670 PolarHBondContact O-OG 3.41Å; S670-N692 PolarHBondContact OG-ND2 2.95Å; S670-F704 WeakPolarHBondContact CA-O 3.16Å |
| 671 | T | 87.2 | Confident | 89.7 | Confident | 68 Ų | 68 | 67.4 Ų | 67.4 | 42% | 0.417 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 138.3 | 175.2 | -57 | 0 | 0 | 0 | 0 | 110.2 | Q673 N692 F704 | T671-Q673 PolarHBondContact O-NE2 2.96Å; T671-N692 PolarHBondContact O-OD1 3.31Å; T671-F704 PolarHBondContact N-O 2.87Å |
| 672 | K | 84.1 | Confident | 89.4 | Confident | 107 Ų | 107 | 69.9 Ų | 69.9 | 47% | 0.465 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 135.5 | 173.2 | 177.4 | -168.4 | 165.2 | 176.9 | 0 | 110.8 | T689 | K672-T689 WeakPolarHBondContact CD-O 3.45Å; K672-T689 WeakPolarHBondContact CE-O 3.17Å; K672-T689 PolarHBondContact NZ-O 3.34Å |
| 673 | Q | 78.4 | Confident | 89 | Confident | 12 Ų | 12 | 71 Ų | 71 | 6% | 0.056 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -76 | 147.3 | 175.5 | -50.3 | -45.6 | -37.4 | 0 | 0 | 114.7 | T671 N692 Y702 D703 Q706 F708 C709 | T671-Q673 PolarHBondContact O-NE2 2.96Å; Q673-N692 VanDerWaalsContact CG-OD1 3.29Å; Q673-N692 WeakPolarHBondContact CG-OD1 3.4Å; Q673-N692 PolarHBondContact N-OD1 3.04Å; Q673-N692 PolarHBondContact NE2-OD1 3.02Å; Q673-Y702 HydrophobicContact CG-CD1 3.57Å; Q673-Y702 HydrophobicContact CG-CE1 4.04Å; Q673-D703 PolarHBondContact NE2-O 2.81Å; Q673-D703 VanDerWaalsContact NE2-O 3.14Å; Q673-Q706 PolarHBondContact NE2-O 3.46Å; Q673-Q706 PolarHBondContact OE1-O 2.96Å; Q673-F708 VanDerWaalsContact CD-O 3.29Å; Q673-F708 VanDerWaalsContact OE1-C 3.24Å; Q673-F708 PolarHBondContact OE1-O 2.81Å; Q673-C709 HydrophobicContact CB-CB 4.33Å; Q673-C709 WeakPolarHBondContact CB-SG 3.39Å; Q673-C709 HydrophobicContact CG-CB 3.97Å |
| 674 | A | 75.4 | Confident | 88.6 | Confident | 72 Ų | 72 | 80.1 Ų | 80.1 | 60% | 0.595 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -105.7 | -37.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | P707 | A674-P707 HydrophobicContact CB-CB 3.99Š|
| 675 | K | 83.7 | Confident | 88.1 | Confident | 150 Ų | 150 | 83 Ų | 83 | 65% | 0.652 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 118.4 | -178.6 | -69.1 | -178 | -178.2 | 176.4 | 0 | 110.8 | C709 | K675-C709 VanDerWaalsContact C-SG 3.56Å; K675-C709 PolarHBondContact O-SG 2.81Å |
| 676 | C | 90.5 | Very high | 88 | Confident | 4 Ų | 4 | 83 Ų | 83 | 3% | 0.027 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 145.2 | 173.4 | -53.5 | 0 | 0 | 0 | 0 | 111.3 | V683 C709 Y711 | C676-V683 PolarHBondContact O-N 3.33Å; C676-C709 CarbonylContact C-O 3.53Å; C676-C709 VanDerWaalsContact CA-O 3.26Å; C676-C709 WeakPolarHBondContact CA-O 3.41Å; C676-C709 WeakPolarHBondContact CA-SG 3.32Å; C676-C709 HydrophobicContact CB-CB 3.81Å; C676-C709 WeakPolarHBondContact CB-SG 3.33Å; C676-C709 PolarHBondContact N-SG 3.07Å; C676-C709 VanDerWaalsContact N-SG 3.42Å; C676-C709 WeakPolarHBondContact SG-CB 3.32Å; C676-C709 CovalentContact SG-SG 2.01Å; C676-C709 PolarHBondContact SG-SG 2.78Å; C676-Y711 HydrophobicContact CB-CD2 4.07Å; C676-Y711 HydrophobicContact CB-CE2 3.31Å; C676-Y711 PolarHBondContact SG-OH 3.17Å |
| 677 | V | 92.9 | Very high | 87.9 | Confident | 35 Ų | 35 | 81.4 Ų | 81.4 | 21% | 0.212 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 146.5 | 177.5 | -62.4 | 0 | 0 | 0 | 0 | 112 | D681 F708 C709 K710 Y711 | V677-D681 CarbonylContact C-O 3.56Å; V677-D681 VanDerWaalsContact CA-O 3.26Å; V677-D681 WeakPolarHBondContact CA-O 3.36Å; V677-F708 HydrophobicContact CG2-CE2 4.42Å; V677-C709 PolarHBondContact N-O 2.78Å; V677-K710 HydrophobicContact CG2-CB 4.16Å; V677-K710 HydrophobicContact CG2-CG 4.22Å; V677-K710 CarbonylContact O-C 3.5Å; V677-K710 VanDerWaalsContact O-CA 3.25Å; V677-K710 WeakPolarHBondContact O-CA 3.41Å; V677-Y711 PolarHBondContact O-N 2.74Å |
| 678 | E | 91.3 | Very high | 87.6 | Confident | 50 Ų | 50 | 84.4 Ų | 84.4 | 23% | 0.234 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 119.1 | 164.3 | -179.2 | 170.2 | -176.1 | 0 | 0 | 107.2 | S680 D681 V683 R695 | E678-S680 PolarHBondContact O-N 3.12Å; E678-D681 PolarHBondContact N-O 3.21Å; E678-D681 PolarHBondContact O-N 2.95Å; E678-V683 HydrophobicContact CB-CG2 3.63Å; E678-R695 IonicContact OE2-NH1 3.65Å; E678-R695 PolarHBondContact OE2-NH1 3.13Å |
| 679 | K | 86.4 | Confident | 87.4 | Confident | 175 Ų | 175 | 81.1 Ų | 81.1 | 76% | 0.761 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | -94 | -165 | -54.9 | 175.1 | -178.7 | 176.7 | 0 | 111.5 | ||
| 680 | S | 85.6 | Confident | 87.2 | Confident | 110 Ų | 110 | 84.1 Ų | 84.1 | 77% | 0.769 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.1 | -4 | 177.2 | -56.2 | 0 | 0 | 0 | 0 | 112.9 | E678 | E678-S680 PolarHBondContact O-N 3.12Š|
| 681 | D | 90.4 | Very high | 87.1 | Confident | 119 Ų | 119 | 84.2 Ų | 84.2 | 64% | 0.636 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 133.7 | -175.5 | -62.2 | -47 | 0 | 0 | 0 | 110.2 | V677 E678 V683 | V677-D681 CarbonylContact C-O 3.56Å; V677-D681 VanDerWaalsContact CA-O 3.26Å; V677-D681 WeakPolarHBondContact CA-O 3.36Å; E678-D681 PolarHBondContact N-O 3.21Å; E678-D681 PolarHBondContact O-N 2.95Å; D681-V683 PolarHBondContact O-N 3.26Å |
| 682 | V | 89 | Confident | 87.5 | Confident | 103 Ų | 103 | 81 Ų | 81 | 62% | 0.624 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 122.3 | 173.7 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | ||
| 683 | V | 89.1 | Confident | 88 | Confident | 24 Ų | 24 | 76.3 Ų | 76.3 | 15% | 0.145 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 122.4 | 179.2 | 179.5 | 0 | 0 | 0 | 0 | 109.4 | W657 C676 E678 D681 L685 Y711 | W657-V683 HydrophobicContact CH2-CG1 3.95Å; W657-V683 HydrophobicContact CZ2-CG1 4.24Å; C676-V683 PolarHBondContact O-N 3.33Å; E678-V683 HydrophobicContact CB-CG2 3.63Å; D681-V683 PolarHBondContact O-N 3.26Å; V683-L685 PolarHBondContact O-N 2.74Å; V683-Y711 HydrophobicContact CB-CD2 4.3Å; V683-Y711 HydrophobicContact CB-CE2 4.32Å; V683-Y711 HydrophobicContact CG1-CD2 4.38Å; V683-Y711 HydrophobicContact CG1-CE2 4.29Å; V683-Y711 HydrophobicContact CG2-CD2 4Å |
| 684 | K | 87.2 | Confident | 88.8 | Confident | 196 Ų | 196 | 75.7 Ų | 75.7 | 85% | 0.852 | 39% | 0.392 | S | S | * | . | trans | -69.4 | 114.6 | 170.2 | -175 | 178.2 | 179.3 | -179.5 | 0 | 109 | ||||
| 685 | L | 86.2 | Confident | 89.7 | Confident | 59 Ų | 59 | 75.4 Ų | 75.4 | 31% | 0.309 | 38% | 0.376 | S | S | . | . | trans | -66.7 | 143.9 | 177.8 | -61.8 | 176.6 | 0 | 0 | 0 | 110.7 | W657 V683 Y687 L693 | W657-L685 HydrophobicContact CZ3-CD2 4.48Å; V683-L685 PolarHBondContact O-N 2.74Å; L685-Y687 VanDerWaalsContact C-N 3.33Å; L685-Y687 PolarHBondContact O-N 2.96Å; L685-L693 HydrophobicContact CB-CD1 4.14Å; L685-L693 HydrophobicContact CD1-CD1 4.19Å; L685-L693 HydrophobicContact CD2-CD1 3.98Å; L685-L693 HydrophobicContact CG-CD1 4.32Å | ||
| 686 | P | 87.9 | Confident | 90.4 | Very high | 63 Ų | 63 | 68.8 Ų | 68.8 | 41% | 0.409 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -71.1 | -26 | -175.1 | 31.3 | -40.9 | 0 | 0 | 0 | 113.8 | W657 L693 | W657-P686 HydrophobicContact CB-CG 4.2Å; W657-P686 HydrophobicContact CD2-CG 3.81Å; W657-P686 HydrophobicContact CG-CB 4.49Å; W657-P686 HydrophobicContact CG-CG 3.62Å; P686-L693 HydrophobicContact CG-CD1 4.5Å |
| 687 | Y | 89.3 | Confident | 90.6 | Very high | 46 Ų | 46 | 69.4 Ų | 69.4 | 18% | 0.18 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -163 | 163.1 | -178.3 | 49.3 | -94.2 | 0 | 0 | 0 | 110.2 | H557 T558 A654 W657 E659 L685 T689 L693 | H557-Y687 AromaticContact CD2-CD2 3.83Å; H557-Y687 AromaticContact NE2-CD2 3.27Å; H557-Y687 VanDerWaalsContact NE2-CD2 3.27Å; H557-Y687 WeakPolarHBondContact NE2-CD2 3.39Å; H557-Y687 AromaticContact NE2-CE2 3.33Å; H557-Y687 VanDerWaalsContact NE2-CE2 3.33Å; H557-Y687 WeakPolarHBondContact NE2-CE2 3.49Å; T558-Y687 HydrophobicContact CG2-CD1 3.66Å; T558-Y687 HydrophobicContact CG2-CD2 3.76Å; T558-Y687 HydrophobicContact CG2-CE1 3.43Å; T558-Y687 VanDerWaalsContact CG2-CE1 3.43Å; T558-Y687 HydrophobicContact CG2-CE2 3.47Å; T558-Y687 VanDerWaalsContact CG2-CE2 3.47Å; T558-Y687 HydrophobicContact CG2-CG 3.84Å; A654-Y687 HydrophobicContact CB-CE1 4.04Å; W657-Y687 HydrophobicContact CB-CE1 4.28Å; E659-Y687 HydrophobicContact CG-CE2 4.22Å; E659-Y687 WeakPolarHBondContact OE1-CE2 3.37Å; L685-Y687 VanDerWaalsContact C-N 3.33Å; L685-Y687 PolarHBondContact O-N 2.96Å; Y687-T689 HydrophobicContact CD2-CG2 4.46Å; Y687-T689 HydrophobicContact CE2-CG2 4.26Å; Y687-L693 HydrophobicContact CD2-CD2 4.49Å; Y687-L693 HydrophobicContact CE2-CD1 4.46Å; Y687-L693 HydrophobicContact CE2-CD2 3.55Å; Y687-L693 WeakPolarHBondContact OH-CD2 3.33Å |
| 688 | E | 86.1 | Confident | 90.8 | Very high | 181 Ų | 181 | 69.4 Ų | 69.4 | 85% | 0.846 | 35% | 0.352 | S | S | * | . | trans | -83.9 | 136.5 | 172.6 | -65.3 | -174.6 | 175.6 | 0 | 0 | 110.6 | ||||
| 689 | T | 88.6 | Confident | 91.1 | Very high | 15 Ų | 15 | 67.4 Ų | 67.4 | 9% | 0.092 | 34% | 0.343 | C | S | . | . | trans | -146.9 | 159.9 | 174.8 | 172.5 | 0 | 0 | 0 | 0 | 109.6 | E659 K672 Y687 N691 L693 | E659-T689 HydrophobicContact CG-CG2 4.23Å; E659-T689 WeakPolarHBondContact OE2-CB 3.34Å; E659-T689 PolarHBondContact OE2-OG1 3.27Å; K672-T689 WeakPolarHBondContact CD-O 3.45Å; K672-T689 WeakPolarHBondContact CE-O 3.17Å; K672-T689 PolarHBondContact NZ-O 3.34Å; Y687-T689 HydrophobicContact CD2-CG2 4.46Å; Y687-T689 HydrophobicContact CE2-CG2 4.26Å; T689-N691 VanDerWaalsContact C-N 3.3Å; T689-N691 WeakPolarHBondContact CG2-O 3.25Å; T689-N691 PolarHBondContact OG1-N 2.68Å; T689-N691 VanDerWaalsContact OG1-N 3.09Å; T689-L693 HydrophobicContact CG2-CD1 3.9Å; T689-L693 HydrophobicContact CG2-CD2 3.84Å; T689-L693 HydrophobicContact CG2-CG 3.64Å | ||
| 690 | E | 88.5 | Confident | 91.6 | Very high | 164 Ų | 164 | 59.1 Ų | 59.1 | 77% | 0.766 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -80.6 | -10.3 | 171 | -65.6 | -178.2 | 173.5 | 0 | 0 | 113.2 | ||
| 691 | N | 91.9 | Very high | 92.1 | Very high | 15 Ų | 15 | 54 Ų | 54 | 8% | 0.08 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -99.9 | 171.8 | -175.3 | -59.2 | -52.2 | 0 | 0 | 0 | 112.8 | W599 E659 K661 T689 | W599-N691 HydrophobicContact CH2-CB 3.98Å; W599-N691 VanDerWaalsContact CH2-CG 3.44Å; W599-N691 WeakPolarHBondContact CH2-ND2 3.4Å; E659-N691 HydrophobicContact CB-CB 4.07Å; E659-N691 HydrophobicContact CG-CB 4.44Å; E659-N691 PolarHBondContact OE2-ND2 3.16Å; K661-N691 WeakPolarHBondContact CE-OD1 3.44Å; T689-N691 VanDerWaalsContact C-N 3.3Å; T689-N691 WeakPolarHBondContact CG2-O 3.25Å; T689-N691 PolarHBondContact OG1-N 2.68Å; T689-N691 VanDerWaalsContact OG1-N 3.09Å |
| 692 | N | 94.2 | Very high | 92.3 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.011 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 140.2 | 168.3 | -59.5 | -51.4 | 0 | 0 | 0 | 109.8 | E659 F660 S670 T671 Q673 Y702 | E659-N692 CarbonylContact C-O 3.59Å; E659-N692 VanDerWaalsContact CA-O 3.29Å; E659-N692 WeakPolarHBondContact CA-O 3.24Å; F660-N692 HydrophobicContact CD1-CB 4.26Å; F660-N692 HydrophobicContact CD2-CB 4.2Å; F660-N692 HydrophobicContact CE1-CB 3.83Å; F660-N692 HydrophobicContact CE2-CB 3.75Å; F660-N692 HydrophobicContact CG-CB 4.43Å; F660-N692 HydrophobicContact CZ-CB 3.55Å; F660-N692 PolarHBondContact N-O 3.06Å; F660-N692 WeakPolarHBondContact O-CB 3.3Å; F660-N692 PolarHBondContact O-N 2.61Å; S670-N692 PolarHBondContact OG-ND2 2.95Å; T671-N692 PolarHBondContact O-OD1 3.31Å; Q673-N692 VanDerWaalsContact CG-OD1 3.29Å; Q673-N692 WeakPolarHBondContact CG-OD1 3.4Å; Q673-N692 PolarHBondContact N-OD1 3.04Å; Q673-N692 PolarHBondContact NE2-OD1 3.02Å; N692-Y702 HydrophobicContact CB-CD1 4.38Å; N692-Y702 HydrophobicContact CB-CE1 4.17Å |
| 693 | L | 94.4 | Very high | 92.6 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.037 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 121.6 | 176.7 | -76.6 | 171.9 | 0 | 0 | 0 | 110.6 | W657 F658 E659 L685 P686 Y687 T689 Y702 Y711 | W657-L693 HydrophobicContact CE3-CB 4.12Å; W657-L693 HydrophobicContact CZ3-CB 4.37Å; F658-L693 CarbonylContact O-C 3.58Å; F658-L693 WeakPolarHBondContact O-CA 3.39Å; E659-L693 HydrophobicContact CG-CD2 3.55Å; L685-L693 HydrophobicContact CB-CD1 4.14Å; L685-L693 HydrophobicContact CD1-CD1 4.19Å; L685-L693 HydrophobicContact CD2-CD1 3.98Å; L685-L693 HydrophobicContact CG-CD1 4.32Å; P686-L693 HydrophobicContact CG-CD1 4.5Å; Y687-L693 HydrophobicContact CD2-CD2 4.49Å; Y687-L693 HydrophobicContact CE2-CD1 4.46Å; Y687-L693 HydrophobicContact CE2-CD2 3.55Å; Y687-L693 WeakPolarHBondContact OH-CD2 3.33Å; T689-L693 HydrophobicContact CG2-CD1 3.9Å; T689-L693 HydrophobicContact CG2-CD2 3.84Å; T689-L693 HydrophobicContact CG2-CG 3.64Å; L693-Y702 VanDerWaalsContact C-OH 3.27Å; L693-Y702 PolarHBondContact O-OH 2.86Å; L693-Y711 PolarHBondContact O-OH 3.44Å |
| 694 | G | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 154.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | W657 F658 Y702 | W657-G694 WeakPolarHBondContact CA-O 3.26Å; F658-G694 VanDerWaalsContact CD1-O 3.3Å; F658-G694 WeakPolarHBondContact CD1-O 3.28Å; F658-G694 PolarHBondContact N-O 3.38Å; F658-G694 PolarHBondContact O-N 3.4Å; G694-Y702 VanDerWaalsContact CA-OH 3.28Å; G694-Y702 WeakPolarHBondContact CA-OH 3.4Å |
| 695 | R | 95.8 | Very high | 93.1 | Very high | 66 Ų | 66 | 37.5 Ų | 37.5 | 25% | 0.249 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124.3 | 177.7 | -161.9 | 175.8 | -177.4 | -171.8 | 1.1 | 109.7 | W657 E678 Y698 N700 Y711 | W657-R695 HydrophobicContact CD2-CG 4.45Å; W657-R695 HydrophobicContact CE3-CB 4.15Å; W657-R695 HydrophobicContact CE3-CG 4.5Å; W657-R695 HydrophobicContact CH2-CB 4.35Å; W657-R695 HydrophobicContact CH2-CG 4.45Å; W657-R695 HydrophobicContact CZ2-CG 4.4Å; W657-R695 HydrophobicContact CZ3-CB 4.02Å; W657-R695 HydrophobicContact CZ3-CG 4.48Å; E678-R695 IonicContact OE2-NH1 3.65Å; E678-R695 PolarHBondContact OE2-NH1 3.13Å; R695-Y698 HydrophobicContact CB-CD2 3.91Å; R695-Y698 HydrophobicContact CB-CG 4.06Å; R695-Y698 VanDerWaalsContact CD-CE2 3.45Å; R695-Y698 HydrophobicContact CG-CD2 3.51Å; R695-Y698 HydrophobicContact CG-CE2 3.77Å; R695-Y698 HydrophobicContact CG-CG 4.08Å; R695-Y698 VanDerWaalsContact NH1-CZ 3.28Å; R695-Y698 PolarHBondContact NH1-OH 2.96Å; R695-Y698 PolarHBondContact NH2-OH 3.22Å; R695-Y698 WeakPolarHBondContact O-CB 3.32Å; R695-Y698 PolarHBondContact O-N 2.9Å; R695-N700 PolarHBondContact N-OD1 3.35Å; R695-N700 PolarHBondContact O-ND2 2.9Å; R695-N700 PolarHBondContact O-OD1 3.38Å; R695-Y711 HydrophobicContact CB-CD1 4.32Å; R695-Y711 HydrophobicContact CB-CE1 4.49Å |
| 696 | C | 97.2 | Very high | 93.3 | Very high | 11 Ų | 11 | 40 Ų | 40 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 132.9 | 179.5 | -167.6 | 0 | 0 | 0 | 0 | 110.5 | M648 C650 T653 G656 Y698 | M648-C696 HydrophobicContact SD-CB 4.25Å; C650-C696 WeakPolarHBondContact CA-SG 3.46Å; C650-C696 HydrophobicContact CB-CB 3.85Å; C650-C696 WeakPolarHBondContact CB-SG 3.43Å; C650-C696 WeakPolarHBondContact SG-CB 3.49Å; C650-C696 CovalentContact SG-SG 2.03Å; C650-C696 PolarHBondContact SG-SG 2.74Å; T653-C696 HydrophobicContact CG2-CB 3.96Å; G656-C696 WeakPolarHBondContact O-CB 3Å; G656-C696 PolarHBondContact O-N 3.13Å; C696-Y698 WeakPolarHBondContact O-CD2 3.44Å |
| 697 | G | 95.8 | Very high | 93.3 | Very high | 17 Ų | 17 | 40.2 Ų | 40.2 | 18% | 0.175 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | 12.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | H533 T534 | H533-G697 CarbonylContact O-C 3.52Å; H533-G697 WeakPolarHBondContact O-CA 3.42Å; T534-G697 PolarHBondContact OG1-N 2.96Å |
| 698 | Y | 96.9 | Very high | 93.2 | Very high | 34 Ų | 34 | 42.7 Ų | 42.7 | 13% | 0.133 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 158.2 | -179.4 | -71.6 | -111.8 | 0 | 0 | 0 | 110.4 | I535 R695 C696 N700 Q712 K713 I714 | I535-Y698 PolarHBondContact N-O 3.48Å; R695-Y698 HydrophobicContact CB-CD2 3.91Å; R695-Y698 HydrophobicContact CB-CG 4.06Å; R695-Y698 VanDerWaalsContact CD-CE2 3.45Å; R695-Y698 HydrophobicContact CG-CD2 3.51Å; R695-Y698 HydrophobicContact CG-CE2 3.77Å; R695-Y698 HydrophobicContact CG-CG 4.08Å; R695-Y698 VanDerWaalsContact NH1-CZ 3.28Å; R695-Y698 PolarHBondContact NH1-OH 2.96Å; R695-Y698 PolarHBondContact NH2-OH 3.22Å; R695-Y698 WeakPolarHBondContact O-CB 3.32Å; R695-Y698 PolarHBondContact O-N 2.9Å; C696-Y698 WeakPolarHBondContact O-CD2 3.44Å; Y698-N700 PolarHBondContact O-ND2 2.86Å; Y698-Q712 CarbonylContact C-O 3.59Å; Y698-Q712 WeakPolarHBondContact CA-O 3.3Å; Y698-Q712 WeakPolarHBondContact CB-O 3.16Å; Y698-K713 HydrophobicContact CD1-CB 4.31Å; Y698-K713 HydrophobicContact CE1-CB 4.02Å; Y698-I714 VanDerWaalsContact C-CD1 3.49Å |
| 699 | L | 96.3 | Very high | 93.5 | Very high | 9 Ų | 9 | 34 Ų | 34 | 5% | 0.047 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 119.2 | 158.6 | -172.9 | 166.1 | 0 | 0 | 0 | 106.8 | I535 F537 Y634 Y637 V701 Q712 I714 | I535-L699 HydrophobicContact CB-CB 4.42Å; I535-L699 HydrophobicContact CB-CG 4.22Å; I535-L699 HydrophobicContact CG2-CG 4.27Å; I535-L699 CarbonylContact O-C 3.51Å; I535-L699 WeakPolarHBondContact O-CA 3.45Å; F537-L699 HydrophobicContact CD2-CD2 4.1Å; F537-L699 HydrophobicContact CD2-CG 4.3Å; F537-L699 HydrophobicContact CE2-CD1 4.36Å; Y634-L699 HydrophobicContact CD1-CD1 4.38Å; Y637-L699 HydrophobicContact CE2-CD2 4.11Å; Y637-L699 WeakPolarHBondContact OH-CD2 3.47Å; L699-V701 HydrophobicContact CD2-CG2 3.23Å; L699-Q712 HydrophobicContact CB-CB 4.37Å; L699-Q712 PolarHBondContact N-O 3.16Å; L699-Q712 PolarHBondContact O-N 2.98Å; L699-I714 HydrophobicContact CB-CD1 4.22Å; L699-I714 HydrophobicContact CB-CG1 3.85Å |
| 700 | N | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 121.7 | -175.9 | -50.5 | -93.9 | 0 | 0 | 0 | 108.6 | I535 V536 F537 R695 Y698 Y702 K710 Y711 | I535-N700 PolarHBondContact O-N 3.18Å; I535-N700 PolarHBondContact O-ND2 3.3Å; V536-N700 CarbonylContact C-O 3.56Å; V536-N700 WeakPolarHBondContact CA-O 3.08Å; V536-N700 HydrophobicContact CG2-CB 4.32Å; F537-N700 PolarHBondContact N-O 3.07Å; R695-N700 PolarHBondContact N-OD1 3.35Å; R695-N700 PolarHBondContact O-ND2 2.9Å; R695-N700 PolarHBondContact O-OD1 3.38Å; Y698-N700 PolarHBondContact O-ND2 2.86Å; N700-Y702 HydrophobicContact CB-CD2 4.47Å; N700-Y702 HydrophobicContact CB-CE2 3.43Å; N700-Y702 VanDerWaalsContact CB-CE2 3.43Å; N700-K710 CarbonylContact C-O 3.58Å; N700-K710 WeakPolarHBondContact CA-O 3.43Å; N700-Y711 HydrophobicContact CB-CD1 4.25Å; N700-Y711 HydrophobicContact CB-CE1 4.4Å; N700-Y711 WeakPolarHBondContact OD1-CD1 3.23Å; N700-Y711 WeakPolarHBondContact OD1-CE1 3.4Å |
| 701 | V | 96.1 | Very high | 94.1 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.024 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 134.4 | -176 | -168.4 | 0 | 0 | 0 | 0 | 109.6 | F537 Y637 F641 L699 C709 K710 | F537-V701 HydrophobicContact CB-CG1 4.24Å; F537-V701 CarbonylContact O-C 3.58Å; Y637-V701 HydrophobicContact CD1-CG1 4.24Å; Y637-V701 HydrophobicContact CD2-CG1 4.34Å; Y637-V701 HydrophobicContact CD2-CG2 4.45Å; Y637-V701 HydrophobicContact CE1-CG1 4.29Å; Y637-V701 HydrophobicContact CE1-CG2 3.81Å; Y637-V701 HydrophobicContact CE2-CG1 4.39Å; Y637-V701 HydrophobicContact CE2-CG2 3.71Å; Y637-V701 HydrophobicContact CG-CG1 4.28Å; Y637-V701 WeakPolarHBondContact OH-CG2 3.5Å; F641-V701 HydrophobicContact CE1-CG1 3.7Å; F641-V701 HydrophobicContact CZ-CG1 4.43Å; L699-V701 HydrophobicContact CD2-CG2 3.23Å; V701-C709 CarbonylContact O-C 3.45Å; V701-C709 WeakPolarHBondContact O-CA 3.49Å; V701-K710 HydrophobicContact CB-CB 4.26Å; V701-K710 PolarHBondContact N-O 2.89Å; V701-K710 PolarHBondContact O-N 2.94Å |
| 702 | Y | 96.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 161.6 | -179.5 | -53 | -101 | 0 | 0 | 0 | 110.9 | V536 F537 I538 R539 F660 Q673 N692 L693 G694 N700 C709 Y711 | V536-Y702 HydrophobicContact CG1-CD2 4.05Å; V536-Y702 HydrophobicContact CG1-CE2 4.01Å; F537-Y702 PolarHBondContact O-N 2.75Å; I538-Y702 HydrophobicContact CD1-CD2 3.8Å; I538-Y702 HydrophobicContact CD1-CG 3.98Å; R539-Y702 PolarHBondContact N-O 3.01Å; F660-Y702 HydrophobicContact CE1-CE1 4.24Å; F660-Y702 AromaticContact CE1-CE2 3.86Å; F660-Y702 HydrophobicContact CE1-CE2 3.86Å; F660-Y702 AromaticContact CE1-CZ 3.69Å; F660-Y702 HydrophobicContact CZ-CD1 4.11Å; F660-Y702 AromaticContact CZ-CD2 3.72Å; F660-Y702 HydrophobicContact CZ-CD2 3.72Å; F660-Y702 AromaticContact CZ-CE1 3.85Å; F660-Y702 HydrophobicContact CZ-CE1 3.85Å; F660-Y702 AromaticContact CZ-CE2 3.41Å; F660-Y702 HydrophobicContact CZ-CE2 3.41Å; F660-Y702 VanDerWaalsContact CZ-CE2 3.41Å; F660-Y702 HydrophobicContact CZ-CG 4.08Å; F660-Y702 AromaticContact CZ-CZ 3.51Å; Q673-Y702 HydrophobicContact CG-CD1 3.57Å; Q673-Y702 HydrophobicContact CG-CE1 4.04Å; N692-Y702 HydrophobicContact CB-CD1 4.38Å; N692-Y702 HydrophobicContact CB-CE1 4.17Å; L693-Y702 VanDerWaalsContact C-OH 3.27Å; L693-Y702 PolarHBondContact O-OH 2.86Å; G694-Y702 VanDerWaalsContact CA-OH 3.28Å; G694-Y702 WeakPolarHBondContact CA-OH 3.4Å; N700-Y702 HydrophobicContact CB-CD2 4.47Å; N700-Y702 HydrophobicContact CB-CE2 3.43Å; N700-Y702 VanDerWaalsContact CB-CE2 3.43Å; Y702-C709 HydrophobicContact CD1-CB 3.66Å; Y702-C709 HydrophobicContact CE1-CB 3.57Å; Y702-Y711 WeakPolarHBondContact OH-CE1 3.27Å |
| 703 | D | 94.4 | Very high | 94 | Very high | 18 Ų | 18 | 39 Ų | 39 | 10% | 0.096 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 138.8 | 163.5 | -171.3 | -70.5 | 0 | 0 | 0 | 109.3 | R539 Q673 S705 Q706 | R539-D703 HydrophobicContact CB-CB 4.38Å; R539-D703 WeakPolarHBondContact CD-OD2 3.36Å; R539-D703 IonicContact CZ-OD2 2.67Å; R539-D703 IonicContact NH1-OD2 3.78Å; R539-D703 PolarHBondContact NH1-OD2 2.93Å; Q673-D703 PolarHBondContact NE2-O 2.81Å; Q673-D703 VanDerWaalsContact NE2-O 3.14Å; D703-S705 VanDerWaalsContact C-N 3.29Å; D703-S705 PolarHBondContact O-N 2.86Å; D703-S705 PolarHBondContact OD1-N 2.61Å; D703-Q706 HydrophobicContact CB-CB 3.88Å; D703-Q706 HydrophobicContact CB-CG 4.47Å; D703-Q706 PolarHBondContact OD1-N 2.88Å |
| 704 | F | 94.2 | Very high | 93.6 | Very high | 7 Ų | 7 | 43 Ų | 43 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -65.5 | -32.6 | -176.9 | -172.6 | -82.3 | 0 | 0 | 0 | 112.7 | I538 R539 K540 A662 T664 Q668 E669 S670 T671 | I538-F704 HydrophobicContact CG2-CB 4.02Å; I538-F704 HydrophobicContact CG2-CD2 4.08Å; R539-F704 WeakPolarHBondContact O-CB 3.28Å; R539-F704 PolarHBondContact O-N 3.33Å; K540-F704 HydrophobicContact CB-CB 3.85Å; K540-F704 HydrophobicContact CB-CD2 4.12Å; K540-F704 HydrophobicContact CB-CG 4.1Å; K540-F704 HydrophobicContact CD-CB 4.05Å; K540-F704 HydrophobicContact CD-CD1 3.78Å; K540-F704 HydrophobicContact CD-CD2 4.14Å; K540-F704 HydrophobicContact CD-CE1 4.25Å; K540-F704 HydrophobicContact CD-CG 3.73Å; K540-F704 HydrophobicContact CG-CB 4.3Å; K540-F704 HydrophobicContact CG-CD2 4.05Å; K540-F704 HydrophobicContact CG-CG 4.07Å; A662-F704 HydrophobicContact CB-CD2 4.09Å; A662-F704 HydrophobicContact CB-CE2 4.21Å; T664-F704 HydrophobicContact CG2-CE2 4.21Å; T664-F704 HydrophobicContact CG2-CZ 4.19Å; Q668-F704 HydrophobicContact CB-CE1 4.29Å; Q668-F704 HydrophobicContact CB-CZ 4.03Å; Q668-F704 WeakPolarHBondContact O-CZ 3.39Å; E669-F704 VanDerWaalsContact C-CZ 3.45Å; S670-F704 WeakPolarHBondContact CA-O 3.16Å; T671-F704 PolarHBondContact N-O 2.87Å |
| 705 | S | 92.4 | Very high | 93.5 | Very high | 67 Ų | 67 | 45.2 Ų | 45.2 | 47% | 0.469 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -115.7 | -11.4 | -172.4 | -62.7 | 0 | 0 | 0 | 0 | 113.7 | D703 | D703-S705 VanDerWaalsContact C-N 3.29Å; D703-S705 PolarHBondContact O-N 2.86Å; D703-S705 PolarHBondContact OD1-N 2.61Å |
| 706 | Q | 90.6 | Very high | 93.4 | Very high | 113 Ų | 113 | 44.1 Ų | 44.1 | 53% | 0.528 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -109.8 | 145.1 | 178.9 | -59 | -62.9 | -41 | 0 | 0 | 111.5 | Q673 D703 F708 | Q673-Q706 PolarHBondContact NE2-O 3.46Å; Q673-Q706 PolarHBondContact OE1-O 2.96Å; D703-Q706 HydrophobicContact CB-CB 3.88Å; D703-Q706 HydrophobicContact CB-CG 4.47Å; D703-Q706 PolarHBondContact OD1-N 2.88Å; Q706-F708 PolarHBondContact O-N 3.2Å |
| 707 | P | 88.2 | Confident | 93.2 | Very high | 66 Ų | 66 | 45.9 Ų | 45.9 | 43% | 0.429 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -78 | 44.2 | 179.3 | 34.9 | -37.7 | 0 | 0 | 0 | 113 | A674 | A674-P707 HydrophobicContact CB-CB 3.99Š|
| 708 | F | 86.6 | Confident | 93 | Very high | 98 Ų | 98 | 47.6 Ų | 47.6 | 43% | 0.43 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 136.7 | 176.1 | 173 | -98.1 | 0 | 0 | 0 | 114.1 | Q673 V677 Q706 K710 | Q673-F708 VanDerWaalsContact CD-O 3.29Å; Q673-F708 VanDerWaalsContact OE1-C 3.24Å; Q673-F708 PolarHBondContact OE1-O 2.81Å; V677-F708 HydrophobicContact CG2-CE2 4.42Å; Q706-F708 PolarHBondContact O-N 3.2Å; F708-K710 HydrophobicContact CE1-CB 4.3Å; F708-K710 HydrophobicContact CZ-CB 3.89Å |
| 709 | C | 92.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 150.8 | 167.4 | 32.9 | 0 | 0 | 0 | 0 | 112.8 | Q673 K675 C676 V677 V701 Y702 | Q673-C709 HydrophobicContact CB-CB 4.33Å; Q673-C709 WeakPolarHBondContact CB-SG 3.39Å; Q673-C709 HydrophobicContact CG-CB 3.97Å; K675-C709 VanDerWaalsContact C-SG 3.56Å; K675-C709 PolarHBondContact O-SG 2.81Å; C676-C709 CarbonylContact C-O 3.53Å; C676-C709 VanDerWaalsContact CA-O 3.26Å; C676-C709 WeakPolarHBondContact CA-O 3.41Å; C676-C709 WeakPolarHBondContact CA-SG 3.32Å; C676-C709 HydrophobicContact CB-CB 3.81Å; C676-C709 WeakPolarHBondContact CB-SG 3.33Å; C676-C709 PolarHBondContact N-SG 3.07Å; C676-C709 VanDerWaalsContact N-SG 3.42Å; C676-C709 WeakPolarHBondContact SG-CB 3.32Å; C676-C709 CovalentContact SG-SG 2.01Å; C676-C709 PolarHBondContact SG-SG 2.78Å; V677-C709 PolarHBondContact N-O 2.78Å; V701-C709 CarbonylContact O-C 3.45Å; V701-C709 WeakPolarHBondContact O-CA 3.49Å; Y702-C709 HydrophobicContact CD1-CB 3.66Å; Y702-C709 HydrophobicContact CE1-CB 3.57Å |
| 710 | K | 94.5 | Very high | 92.6 | Very high | 61 Ų | 61 | 51.1 Ų | 51.1 | 27% | 0.265 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 138.1 | 174.6 | 178.4 | 178.3 | 177.3 | -178.7 | 0 | 111.6 | V677 N700 V701 F708 | V677-K710 HydrophobicContact CG2-CB 4.16Å; V677-K710 HydrophobicContact CG2-CG 4.22Å; V677-K710 CarbonylContact O-C 3.5Å; V677-K710 VanDerWaalsContact O-CA 3.25Å; V677-K710 WeakPolarHBondContact O-CA 3.41Å; N700-K710 CarbonylContact C-O 3.58Å; N700-K710 WeakPolarHBondContact CA-O 3.43Å; V701-K710 HydrophobicContact CB-CB 4.26Å; V701-K710 PolarHBondContact N-O 2.89Å; V701-K710 PolarHBondContact O-N 2.94Å; F708-K710 HydrophobicContact CE1-CB 4.3Å; F708-K710 HydrophobicContact CZ-CB 3.89Å |
| 711 | Y | 95 | Very high | 92.2 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 140.3 | 171.8 | -52.9 | -60.2 | 0 | 0 | 0 | 110.8 | W657 C676 V677 V683 L693 R695 N700 Y702 | W657-Y711 HydrophobicContact CH2-CD2 4.29Å; W657-Y711 AromaticContact CH2-CE2 3.7Å; W657-Y711 HydrophobicContact CH2-CE2 3.7Å; W657-Y711 AromaticContact CH2-CZ 3.96Å; W657-Y711 HydrophobicContact CZ3-CE1 4.12Å; W657-Y711 AromaticContact CZ3-CE2 3.79Å; W657-Y711 HydrophobicContact CZ3-CE2 3.79Å; W657-Y711 AromaticContact CZ3-CZ 3.52Å; W657-Y711 WeakPolarHBondContact CZ3-OH 3.47Å; C676-Y711 HydrophobicContact CB-CD2 4.07Å; C676-Y711 HydrophobicContact CB-CE2 3.31Å; C676-Y711 PolarHBondContact SG-OH 3.17Å; V677-Y711 PolarHBondContact O-N 2.74Å; V683-Y711 HydrophobicContact CB-CD2 4.3Å; V683-Y711 HydrophobicContact CB-CE2 4.32Å; V683-Y711 HydrophobicContact CG1-CD2 4.38Å; V683-Y711 HydrophobicContact CG1-CE2 4.29Å; V683-Y711 HydrophobicContact CG2-CD2 4Å; L693-Y711 PolarHBondContact O-OH 3.44Å; R695-Y711 HydrophobicContact CB-CD1 4.32Å; R695-Y711 HydrophobicContact CB-CE1 4.49Å; N700-Y711 HydrophobicContact CB-CD1 4.25Å; N700-Y711 HydrophobicContact CB-CE1 4.4Å; N700-Y711 WeakPolarHBondContact OD1-CD1 3.23Å; N700-Y711 WeakPolarHBondContact OD1-CE1 3.4Å; Y702-Y711 WeakPolarHBondContact OH-CE1 3.27Å |
| 712 | Q | 94.4 | Very high | 91.9 | Very high | 91 Ų | 91 | 58.6 Ų | 58.6 | 43% | 0.425 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 130.4 | 173.3 | 175.4 | 172.9 | -13.6 | 0 | 0 | 109.1 | Y698 L699 I714 | Y698-Q712 CarbonylContact C-O 3.59Å; Y698-Q712 WeakPolarHBondContact CA-O 3.3Å; Y698-Q712 WeakPolarHBondContact CB-O 3.16Å; L699-Q712 HydrophobicContact CB-CB 4.37Å; L699-Q712 PolarHBondContact N-O 3.16Å; L699-Q712 PolarHBondContact O-N 2.98Å; Q712-I714 PolarHBondContact O-N 3.28Å |
| 713 | K | 90.2 | Very high | 91.6 | Very high | 148 Ų | 148 | 63.3 Ų | 63.3 | 64% | 0.643 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 132 | 173.2 | -167.4 | 176.2 | -179.2 | -177.4 | 0 | 109.7 | Y698 | Y698-K713 HydrophobicContact CD1-CB 4.31Å; Y698-K713 HydrophobicContact CE1-CB 4.02Å |
| 714 | I | 85.9 | Confident | 91.3 | Very high | 90 Ų | 90 | 67.5 Ų | 67.5 | 46% | 0.462 | 34% | 0.335 | S | S | . | . | trans | -75.9 | 0 | 176.7 | -66.1 | 166 | 0 | 0 | 0 | 110.7 | H533 I535 Y698 L699 Q712 | H533-I714 WeakPolarHBondContact O-CD1 3.49Å; I535-I714 HydrophobicContact CB-CD1 4.24Å; I535-I714 HydrophobicContact CD1-CD1 3.92Å; I535-I714 HydrophobicContact CG1-CD1 3.83Å; Y698-I714 VanDerWaalsContact C-CD1 3.49Å; L699-I714 HydrophobicContact CB-CD1 4.22Å; L699-I714 HydrophobicContact CB-CG1 3.85Å; Q712-I714 PolarHBondContact O-N 3.28Å |
Retrieved 714 of 714 residues in 648 ms
(Link to these results)