| 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 | Very low | 42.5 | Very low | 239 Ų | 239 | 142.9 Ų | 142.9 | 100% | 1.177 | 80% | 0.803 | S | S | * | * | 0 | 80.5 | 0 | -74.9 | 173 | -86.5 | 0 | 0 | 107 | |||||
| 2 | R | 37.2 | Very low | 42.5 | Very low | 243 Ų | 243 | 143.9 Ų | 143.9 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | 48.5 | 90.7 | 79.5 | -75.4 | -166.7 | 176.1 | -172.4 | -0.3 | 113.9 | |||||
| 3 | S | 40.8 | Very low | 42.3 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | 56.9 | 121.3 | 131.9 | -48.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 4 | L | 41.2 | Very low | 42.1 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | -168.6 | 98.1 | 115.3 | -128.8 | 77.6 | 0 | 0 | 0 | 110.6 | V6 | L4-V6 HydrophobicContact CD2-CG2 3.89Å; L4-V6 HydrophobicContact CG-CG2 4.33Å | |||
| 5 | V | 45.1 | Very low | 42 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -90.2 | 107.7 | 158.5 | 171.9 | 0 | 0 | 0 | 0 | 105.4 | L7 | V5-L7 HydrophobicContact CG1-CD1 4.5Å; V5-L7 PolarHBondContact O-N 3.33Å | ||
| 6 | V | 43.3 | Very low | 42.1 | Very low | 105 Ų | 105 | 138.1 Ų | 138.1 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | trans | -81.2 | 92.7 | 173.9 | 179.7 | 0 | 0 | 0 | 0 | 107.5 | L4 V8 | L4-V6 HydrophobicContact CD2-CG2 3.89Å; L4-V6 HydrophobicContact CG-CG2 4.33Å; V6-V8 HydrophobicContact CG1-CG2 3.99Å; V6-V8 PolarHBondContact O-N 3.18Å | ||
| 7 | L | 42.5 | Very low | 42.9 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | trans | -73.2 | 101 | 162 | -101.4 | 143 | 0 | 0 | 0 | 107.7 | V5 L9 | V5-L7 HydrophobicContact CG1-CD1 4.5Å; V5-L7 PolarHBondContact O-N 3.33Å; L7-L9 PolarHBondContact O-N 2.92Å | ||
| 8 | V | 44.4 | Very low | 44.3 | Very low | 122 Ų | 122 | 133 Ų | 133 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | trans | -73.6 | 86.6 | 164.2 | -179.1 | 0 | 0 | 0 | 0 | 107 | V6 A10 | V6-V8 HydrophobicContact CG1-CG2 3.99Å; V6-V8 PolarHBondContact O-N 3.18Å; V8-A10 PolarHBondContact O-N 3.26Å; V8-A10 VanDerWaalsContact O-N 3.12Å | ||
| 9 | L | 44.3 | Very low | 46.5 | Very low | 151 Ų | 151 | 128.6 Ų | 128.6 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | trans | -69.9 | 98.3 | 160.3 | -86.9 | 157.8 | 0 | 0 | 0 | 106.7 | L7 A11 | L7-L9 PolarHBondContact O-N 2.92Å; L9-A11 PolarHBondContact O-N 2.81Å | ||
| 10 | A | 44.9 | Very low | 48.8 | Very low | 85 Ų | 85 | 123 Ų | 123 | 70% | 0.702 | 71% | 0.705 | S | S | * | * | trans | -63 | 91.9 | 160 | 0 | 0 | 0 | 0 | 0 | 107.1 | V8 L12 | V8-A10 PolarHBondContact O-N 3.26Å; V8-A10 VanDerWaalsContact O-N 3.12Å; A10-L12 PolarHBondContact O-N 3.07Å | ||
| 11 | A | 41.9 | Very low | 51 | Low | 93 Ų | 93 | 121.9 Ų | 121.9 | 77% | 0.769 | 69% | 0.689 | S | S | * | * | trans | -62.9 | 95.4 | 161 | 0 | 0 | 0 | 0 | 0 | 106.3 | L9 A13 | L9-A11 PolarHBondContact O-N 2.81Å; A11-A13 PolarHBondContact O-N 3.35Å | ||
| 12 | L | 42 | Very low | 53.6 | Low | 155 Ų | 155 | 110.7 Ų | 110.7 | 81% | 0.812 | 63% | 0.634 | S | S | * | * | trans | -57.5 | 91.5 | 151.7 | -85.8 | 152 | 0 | 0 | 0 | 105.2 | A10 L14 | A10-L12 PolarHBondContact O-N 3.07Å; L12-L14 PolarHBondContact O-N 3.49Å | ||
| 13 | A | 40.7 | Very low | 56.4 | Low | 83 Ų | 83 | 103 Ų | 103 | 69% | 0.686 | 62% | 0.616 | S | S | * | * | trans | -60.7 | 88.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 105 | A11 T15 | A11-A13 PolarHBondContact O-N 3.35Å; A13-T15 PolarHBondContact O-N 3.35Å | ||
| 14 | L | 39.8 | Very low | 59 | Low | 149 Ų | 149 | 97.9 Ų | 97.9 | 78% | 0.78 | 58% | 0.58 | S | S | * | * | trans | -58.9 | 95 | 150.9 | -72.2 | 164.5 | 0 | 0 | 0 | 103.4 | L12 N16 | L12-L14 PolarHBondContact O-N 3.49Å; L14-N16 PolarHBondContact O-N 2.76Å | ||
| 15 | T | 40.1 | Very low | 61.4 | Low | 97 Ų | 97 | 95.4 Ų | 95.4 | 60% | 0.595 | 56% | 0.562 | S | S | * | * | trans | -60 | 97.7 | 153.9 | 53 | 0 | 0 | 0 | 0 | 103.3 | A13 D17 | A13-T15 PolarHBondContact O-N 3.35Å; T15-D17 WeakPolarHBondContact CB-OD2 3.16Å; T15-D17 PolarHBondContact O-N 3.49Å; T15-D17 PolarHBondContact OG1-OD2 2.9Å | ||
| 16 | N | 44 | Very low | 63.5 | Low | 153 Ų | 153 | 91.2 Ų | 91.2 | 82% | 0.818 | 53% | 0.533 | S | S | * | . | trans | -67.1 | 78.1 | 156.1 | -105.9 | -6.3 | 0 | 0 | 0 | 103.7 | L14 A18 | L14-N16 PolarHBondContact O-N 2.76Å; N16-A18 VanDerWaalsContact C-N 3.34Å; N16-A18 PolarHBondContact O-N 2.76Å | ||
| 17 | D | 55.3 | Low | 65.6 | Low | 105 Ų | 105 | 87.1 Ų | 87.1 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | trans | -62.5 | 106.2 | 172.8 | -78.9 | -44.1 | 0 | 0 | 0 | 105.2 | T15 L19 | T15-D17 WeakPolarHBondContact CB-OD2 3.16Å; T15-D17 PolarHBondContact O-N 3.49Å; T15-D17 PolarHBondContact OG1-OD2 2.9Å; D17-L19 PolarHBondContact O-N 3.17Å | ||
| 18 | A | 68.9 | Low | 67.6 | Low | 80 Ų | 80 | 84 Ų | 84 | 66% | 0.661 | 49% | 0.485 | S | S | * | . | trans | -68.8 | 108.9 | -168 | 0 | 0 | 0 | 0 | 0 | 108.1 | N16 V20 | N16-A18 VanDerWaalsContact C-N 3.34Å; N16-A18 PolarHBondContact O-N 2.76Å; A18-V20 PolarHBondContact O-N 2.02Å | ||
| 19 | L | 84.9 | Confident | 69.4 | Low | 50 Ų | 50 | 78.3 Ų | 78.3 | 26% | 0.262 | 45% | 0.451 | S | S | . | . | trans | -42 | 132.5 | 167.4 | -72.8 | 167.1 | 0 | 0 | 0 | 109.7 | D17 R21 L232 T236 | D17-L19 PolarHBondContact O-N 3.17Å; L19-R21 PolarHBondContact O-N 3.04Å; L19-L232 HydrophobicContact CD1-CD2 4.13Å; L19-T236 WeakPolarHBondContact CD1-O 3.21Å | ||
| 20 | V | 92.4 | Very high | 71.1 | Confident | 15 Ų | 15 | 71.2 Ų | 71.2 | 9% | 0.091 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 113.7 | 178.5 | -178.8 | 0 | 0 | 0 | 0 | 108 | A18 I22 N157 I158 L232 L233 | A18-V20 PolarHBondContact O-N 2.02Å; V20-I22 HydrophobicContact CG1-CD1 3.99Å; V20-N157 VanDerWaalsContact CG1-OD1 3.23Å; V20-N157 WeakPolarHBondContact CG1-OD1 3.32Å; V20-N157 WeakPolarHBondContact CG2-OD1 3.45Å; V20-I158 HydrophobicContact CB-CD1 4.01Å; V20-I158 HydrophobicContact CB-CG1 4.42Å; V20-I158 HydrophobicContact CG1-CD1 4.01Å; V20-I158 HydrophobicContact CG1-CG1 4.12Å; V20-I158 HydrophobicContact CG2-CD1 3.7Å; V20-I158 HydrophobicContact CG2-CG1 3.85Å; V20-L232 WeakPolarHBondContact O-CA 3.41Å; V20-L233 HydrophobicContact CB-CB 4.23Å; V20-L233 HydrophobicContact CG1-CD1 4.35Å; V20-L233 PolarHBondContact O-N 3.16Å |
| 21 | R | 94.9 | Very high | 72.9 | Confident | 101 Ų | 101 | 67.9 Ų | 67.9 | 38% | 0.381 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 127.1 | -173.9 | -65.9 | 161.1 | -177.8 | -92 | 0.7 | 109.5 | L19 E230 L232 D237 | L19-R21 PolarHBondContact O-N 3.04Å; R21-E230 IonicContact NH1-OE2 3.57Å; R21-L232 HydrophobicContact CG-CD2 4.42Å; R21-L232 HydrophobicContact CG-CG 4.28Å; R21-D237 IonicContact CZ-OD2 2.76Å; R21-D237 IonicContact NH1-OD2 3.18Å; R21-D237 PolarHBondContact NH1-OD2 2.7Å; R21-D237 IonicContact NH2-OD2 3.59Å; R21-D237 PolarHBondContact NH2-OD2 3.37Å |
| 22 | I | 96.7 | Very high | 74.7 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 107.9 | 176.3 | -58.6 | 78.5 | 0 | 0 | 0 | 106.4 | V20 L24 F93 I155 E230 L231 L233 | V20-I22 HydrophobicContact CG1-CD1 3.99Å; I22-L24 PolarHBondContact O-N 2.79Å; I22-F93 HydrophobicContact CG2-CE2 3.91Å; I22-F93 HydrophobicContact CG2-CZ 4.04Å; I22-I155 HydrophobicContact CD1-CG2 3.93Å; I22-I155 HydrophobicContact CG1-CG2 3.55Å; I22-E230 WeakPolarHBondContact O-CA 3.49Å; I22-L231 HydrophobicContact CB-CB 4.15Å; I22-L231 HydrophobicContact CB-CD2 4.47Å; I22-L231 HydrophobicContact CB-CG 4.48Å; I22-L231 HydrophobicContact CD1-CD2 4.28Å; I22-L231 HydrophobicContact CD1-CG 4.15Å; I22-L231 HydrophobicContact CG1-CD2 4.46Å; I22-L231 PolarHBondContact N-O 3.49Å; I22-L231 PolarHBondContact O-N 2.92Å; I22-L233 HydrophobicContact CD1-CD1 3.86Å; I22-L233 HydrophobicContact CD1-CG 3.84Å |
| 23 | P | 95.8 | Very high | 76.6 | Confident | 81 Ų | 81 | 59.5 Ų | 59.5 | 53% | 0.526 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 133.7 | 174.2 | 27.7 | -33 | 0 | 0 | 0 | 109.2 | P227 | P23-P227 HydrophobicContact CB-CB 3.92Å |
| 24 | L | 95.4 | Very high | 78.3 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 132.1 | 174.9 | -57.2 | 176.3 | 0 | 0 | 0 | 108.6 | I22 Y77 F93 F217 L219 G228 G229 L231 | I22-L24 PolarHBondContact O-N 2.79Å; L24-Y77 CarbonylContact C-O 3.51Å; L24-Y77 WeakPolarHBondContact CA-O 3.26Å; L24-F93 HydrophobicContact CD2-CD2 3.8Å; L24-F93 HydrophobicContact CD2-CE2 4.13Å; L24-F217 HydrophobicContact CD1-CD1 3.76Å; L24-F217 HydrophobicContact CD1-CE1 3.83Å; L24-L219 HydrophobicContact CD1-CD2 3.83Å; L24-G228 CarbonylContact O-C 3.54Å; L24-G228 WeakPolarHBondContact O-CA 3.43Å; L24-G228 PolarHBondContact O-N 2.99Å; L24-G229 PolarHBondContact N-O 2.79Å; L24-G229 PolarHBondContact O-N 3.39Å; L24-L231 HydrophobicContact CD1-CB 4.39Å; L24-L231 HydrophobicContact CD2-CB 4.31Å; L24-L231 HydrophobicContact CG-CB 4.49Å |
| 25 | K | 92.4 | Very high | 80 | Confident | 101 Ų | 101 | 50.8 Ų | 50.8 | 44% | 0.439 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 127.7 | 173.3 | -179.2 | 159.4 | 169.9 | -170.6 | 0 | 109.4 | Y76 Y77 | K25-Y76 WeakPolarHBondContact O-CA 3.27Å; K25-Y77 HydrophobicContact CB-CD2 4.47Å; K25-Y77 HydrophobicContact CB-CE1 4.37Å; K25-Y77 HydrophobicContact CB-CE2 4.03Å; K25-Y77 HydrophobicContact CD-CE2 4.38Å; K25-Y77 WeakPolarHBondContact CD-OH 3.44Å; K25-Y77 HydrophobicContact CG-CE1 4.32Å; K25-Y77 PolarHBondContact N-O 2.91Å; K25-Y77 PolarHBondContact O-N 3.49Å; K25-Y77 VanDerWaalsContact O-N 3.11Å |
| 26 | K | 89.6 | Confident | 81.6 | Confident | 43 Ų | 43 | 49.2 Ų | 49.2 | 19% | 0.187 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 136.1 | 172.1 | -166.4 | 178.6 | -177.7 | -164.7 | 0 | 109.2 | Q75 Y76 R221 | K26-Q75 CarbonylContact C-O 3.5Å; K26-Q75 VanDerWaalsContact CA-O 3.25Å; K26-Q75 WeakPolarHBondContact CA-O 3.37Å; K26-Y76 HydrophobicContact CB-CD1 3.99Å; K26-Y76 HydrophobicContact CB-CE1 3.7Å; K26-Y76 HydrophobicContact CD-CE1 3.96Å; K26-Y76 HydrophobicContact CG-CD1 4.17Å; K26-Y76 HydrophobicContact CG-CE1 3.62Å; K26-R221 PolarHBondContact NZ-O 2.95Å |
| 27 | F | 86.4 | Confident | 82.7 | Confident | 19 Ų | 19 | 45.1 Ų | 45.1 | 8% | 0.083 | 24% | 0.24 | C | C | . | . | trans | -131.8 | 162 | 173.9 | 73.1 | -76.7 | 0 | 0 | 0 | 110.7 | A74 Q75 Y76 Y77 K180 F181 | F27-A74 WeakPolarHBondContact CE2-O 3.24Å; F27-A74 HydrophobicContact CZ-CB 4.3Å; F27-A74 WeakPolarHBondContact CZ-O 3.3Å; F27-Q75 WeakPolarHBondContact CD1-O 3.27Å; F27-Q75 PolarHBondContact N-O 3.05Å; F27-Y76 VanDerWaalsContact CE1-N 3.31Å; F27-Y77 HydrophobicContact CB-CD1 4.28Å; F27-Y77 HydrophobicContact CB-CE1 3.94Å; F27-Y77 AromaticContact CD1-CD1 3.43Å; F27-Y77 HydrophobicContact CD1-CD1 3.43Å; F27-Y77 VanDerWaalsContact CD1-CD1 3.43Å; F27-Y77 AromaticContact CD1-CE1 3.99Å; F27-Y77 HydrophobicContact CD1-CE1 3.99Å; F27-Y77 AromaticContact CE1-CD1 3.91Å; F27-Y77 HydrophobicContact CE1-CD1 3.91Å; F27-Y77 AromaticContact CG-CD1 3.98Å; F27-Y77 HydrophobicContact CG-CD1 3.98Å; F27-Y77 HydrophobicContact CG-CE1 4.11Å; F27-K180 HydrophobicContact CD2-CB 3.91Å; F27-K180 HydrophobicContact CD2-CG 4.03Å; F27-K180 HydrophobicContact CE2-CB 4.48Å; F27-K180 HydrophobicContact CG-CB 4.34Å; F27-F181 HydrophobicContact CE1-CD1 4.34Å; F27-F181 HydrophobicContact CE2-CD1 4.22Å; F27-F181 HydrophobicContact CE2-CE1 4.43Å; F27-F181 AromaticContact CZ-CD1 3.71Å; F27-F181 HydrophobicContact CZ-CD1 3.71Å; F27-F181 AromaticContact CZ-CE1 3.92Å; F27-F181 HydrophobicContact CZ-CE1 3.92Å | ||
| 28 | R | 83.9 | Confident | 83 | Confident | 73 Ų | 73 | 43.2 Ų | 43.2 | 28% | 0.275 | 24% | 0.244 | S | C | . | . | trans | -75.5 | 129.5 | 176.1 | -167.9 | 171.5 | -167.6 | -150.2 | -0.7 | 109 | R32 D36 S345 | R28-R32 HydrophobicContact CG-CB 3.81Å; R28-D36 IonicContact CZ-OD2 2.67Å; R28-D36 IonicContact NH1-OD2 2.69Å; R28-D36 PolarHBondContact NH1-OD2 2.92Å; R28-D36 VanDerWaalsContact NH2-CG 3.27Å; R28-D36 IonicContact NH2-OD1 3.41Å; R28-D36 PolarHBondContact NH2-OD1 2.84Å; R28-D36 IonicContact NH2-OD2 3.43Å; R28-D36 PolarHBondContact NH2-OD2 3.3Å; R28-S345 PolarHBondContact NH2-O 3.01Å | ||
| 29 | S | 82.9 | Confident | 82.4 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | trans | -63.3 | 152.2 | -172.3 | 72.1 | 0 | 0 | 0 | 0 | 112.1 | R31 R32 E33 L72 D73 | S29-R31 PolarHBondContact O-N 2.84Å; S29-R32 WeakPolarHBondContact O-CB 3.05Å; S29-R32 PolarHBondContact O-N 3.37Å; S29-R32 WeakPolarHBondContact OG-CG 3.46Å; S29-E33 PolarHBondContact O-N 3.48Å; S29-E33 VanDerWaalsContact O-N 3.07Å; S29-L72 WeakPolarHBondContact CB-O 3.34Å; S29-D73 WeakPolarHBondContact CB-O 3.25Å | ||
| 30 | I | 81 | Confident | 80.9 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.015 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.1 | -40 | -179.7 | -65.9 | 167.8 | 0 | 0 | 0 | 110.9 | R32 E33 L34 L72 A175 A178 A179 F181 | I30-R32 VanDerWaalsContact C-N 3.28Å; I30-R32 PolarHBondContact O-N 2.82Å; I30-E33 PolarHBondContact O-N 3.11Å; I30-L34 HydrophobicContact CG2-CD1 3.56Å; I30-L34 HydrophobicContact CG2-CG 4.26Å; I30-L34 WeakPolarHBondContact O-CB 3.01Å; I30-L34 VanDerWaalsContact O-CG 3.25Å; I30-L34 WeakPolarHBondContact O-CG 3.33Å; I30-L34 PolarHBondContact O-N 3Å; I30-L72 HydrophobicContact CB-CD2 4.34Å; I30-L72 HydrophobicContact CG2-CD2 3.67Å; I30-L72 PolarHBondContact N-O 3.12Å; I30-L72 VanDerWaalsContact N-O 3.16Å; I30-A175 HydrophobicContact CG2-CB 4.33Å; I30-A178 HydrophobicContact CG2-CB 3.95Å; I30-A179 HydrophobicContact CD1-CB 3.94Å; I30-A179 HydrophobicContact CG1-CB 4.46Å; I30-F181 HydrophobicContact CD1-CE1 4.05Å; I30-F181 HydrophobicContact CD1-CZ 4.35Å |
| 31 | R | 81.1 | Confident | 78.9 | Confident | 14 Ų | 14 | 50.9 Ų | 50.9 | 5% | 0.053 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.4 | -43 | 176.1 | -172.8 | -179.1 | -59.1 | -75.3 | 0.6 | 112 | S29 T35 N70 L72 D73 E310 | S29-R31 PolarHBondContact O-N 2.84Å; R31-T35 WeakPolarHBondContact O-CB 3.31Å; R31-T35 PolarHBondContact O-N 3.48Å; R31-T35 PolarHBondContact O-OG1 3.37Å; R31-N70 PolarHBondContact NH2-ND2 3.43Å; R31-L72 HydrophobicContact CB-CB 4.21Å; R31-L72 WeakPolarHBondContact CB-O 3.33Å; R31-L72 PolarHBondContact N-O 2.98Å; R31-D73 WeakPolarHBondContact CD-OD1 3.43Å; R31-D73 IonicContact CZ-OD1 2.67Å; R31-D73 IonicContact CZ-OD2 3.47Å; R31-D73 IonicContact NE-OD1 3.86Å; R31-D73 PolarHBondContact NE-OD1 3.41Å; R31-D73 IonicContact NE-OD2 2.71Å; R31-D73 PolarHBondContact NE-OD2 2.9Å; R31-D73 IonicContact NH2-OD1 3.62Å; R31-D73 IonicContact NH2-OD2 2.73Å; R31-D73 PolarHBondContact NH2-OD2 3.42Å; R31-E310 VanDerWaalsContact CD-CD 3.47Å; R31-E310 WeakPolarHBondContact CD-OE1 2.96Å; R31-E310 IonicContact NE-OE1 2.81Å |
| 32 | R | 81.1 | Confident | 76.5 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -72.4 | -43.7 | -178.3 | -66.7 | -67.2 | 164.3 | -126.7 | -14.9 | 111.8 | R28 S29 I30 L34 T35 D36 E310 | R28-R32 HydrophobicContact CG-CB 3.81Å; S29-R32 WeakPolarHBondContact O-CB 3.05Å; S29-R32 PolarHBondContact O-N 3.37Å; S29-R32 WeakPolarHBondContact OG-CG 3.46Å; I30-R32 VanDerWaalsContact C-N 3.28Å; I30-R32 PolarHBondContact O-N 2.82Å; R32-L34 VanDerWaalsContact C-N 3.28Å; R32-L34 PolarHBondContact O-N 3.15Å; R32-T35 PolarHBondContact O-N 3.43Å; R32-D36 WeakPolarHBondContact O-CB 3.27Å; R32-D36 PolarHBondContact O-N 3.14Å; R32-E310 IonicContact CZ-OE1 3.56Å; R32-E310 IonicContact CZ-OE2 2.72Å; R32-E310 IonicContact NH1-OE1 3.55Å; R32-E310 IonicContact NH1-OE2 2.82Å; R32-E310 PolarHBondContact NH1-OE2 3.2Å; R32-E310 IonicContact NH2-OE1 3.5Å; R32-E310 PolarHBondContact NH2-OE1 3.02Å; R32-E310 IonicContact NH2-OE2 2.83Å; R32-E310 PolarHBondContact NH2-OE2 2.91Å |
| 33 | E | 81 | Confident | 74.3 | Confident | 62 Ų | 62 | 57.6 Ų | 57.6 | 29% | 0.29 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.2 | -45 | 173.2 | -68.8 | -66.2 | 161.6 | 0 | 0 | 111.2 | S29 I30 S37 | S29-E33 PolarHBondContact O-N 3.48Å; S29-E33 VanDerWaalsContact O-N 3.07Å; I30-E33 PolarHBondContact O-N 3.11Å; E33-S37 PolarHBondContact O-N 3.11Å; E33-S37 VanDerWaalsContact O-N 3.15Å |
| 34 | L | 76.2 | Confident | 72.1 | Confident | 5 Ų | 5 | 54.6 Ų | 54.6 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.8 | -41.5 | 179.1 | -67.8 | 170.2 | 0 | 0 | 0 | 112.2 | I30 R32 D36 S37 K39 L44 I174 A178 | I30-L34 HydrophobicContact CG2-CD1 3.56Å; I30-L34 HydrophobicContact CG2-CG 4.26Å; I30-L34 WeakPolarHBondContact O-CB 3.01Å; I30-L34 VanDerWaalsContact O-CG 3.25Å; I30-L34 WeakPolarHBondContact O-CG 3.33Å; I30-L34 PolarHBondContact O-N 3Å; R32-L34 VanDerWaalsContact C-N 3.28Å; R32-L34 PolarHBondContact O-N 3.15Å; L34-D36 VanDerWaalsContact C-N 3.35Å; L34-D36 PolarHBondContact O-N 2.95Å; L34-S37 PolarHBondContact O-N 3.12Å; L34-S37 PolarHBondContact O-OG 3.16Å; L34-K39 HydrophobicContact CD2-CD 4.31Å; L34-L44 HydrophobicContact CB-CD1 3.99Å; L34-L44 HydrophobicContact CB-CD2 4.05Å; L34-L44 HydrophobicContact CD1-CD2 3.47Å; L34-L44 VanDerWaalsContact CD1-CD2 3.47Å; L34-L44 HydrophobicContact CG-CD2 4.3Å; L34-I174 HydrophobicContact CD1-CD1 4.23Å; L34-I174 HydrophobicContact CD1-CG1 4.36Å; L34-I174 HydrophobicContact CD2-CD1 4.42Å; L34-A178 HydrophobicContact CD1-CB 4.31Å; L34-A178 HydrophobicContact CD2-CB 3.87Å; L34-A178 HydrophobicContact CG-CB 4.01Å |
| 35 | T | 75.7 | Confident | 69.7 | Low | 44 Ų | 44 | 56.8 Ų | 56.8 | 27% | 0.27 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 177.4 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | R31 R32 G38 Q346 | R31-T35 WeakPolarHBondContact O-CB 3.31Å; R31-T35 PolarHBondContact O-N 3.48Å; R31-T35 PolarHBondContact O-OG1 3.37Å; R32-T35 PolarHBondContact O-N 3.43Å; T35-G38 PolarHBondContact O-N 3.13Å; T35-Q346 VanDerWaalsContact CG2-NE2 3.28Å |
| 36 | D | 74.5 | Confident | 67.4 | Low | 63 Ų | 63 | 55.3 Ų | 55.3 | 34% | 0.337 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -71.4 | -30.3 | -179.3 | -83.1 | 21.6 | 0 | 0 | 0 | 113.3 | R28 R32 L34 G38 Q346 | R28-D36 IonicContact CZ-OD2 2.67Å; R28-D36 IonicContact NH1-OD2 2.69Å; R28-D36 PolarHBondContact NH1-OD2 2.92Å; R28-D36 VanDerWaalsContact NH2-CG 3.27Å; R28-D36 IonicContact NH2-OD1 3.41Å; R28-D36 PolarHBondContact NH2-OD1 2.84Å; R28-D36 IonicContact NH2-OD2 3.43Å; R28-D36 PolarHBondContact NH2-OD2 3.3Å; R32-D36 WeakPolarHBondContact O-CB 3.27Å; R32-D36 PolarHBondContact O-N 3.14Å; L34-D36 VanDerWaalsContact C-N 3.35Å; L34-D36 PolarHBondContact O-N 2.95Å; D36-G38 PolarHBondContact O-N 2.98Å; D36-G38 VanDerWaalsContact O-N 3.11Å; D36-Q346 PolarHBondContact OD1-NE2 2.94Å |
| 37 | S | 67.3 | Low | 65.3 | Low | 68 Ų | 68 | 55.5 Ų | 55.5 | 48% | 0.476 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -2.4 | 176.8 | 72.6 | 0 | 0 | 0 | 0 | 114.2 | E33 L34 K39 | E33-S37 PolarHBondContact O-N 3.11Å; E33-S37 VanDerWaalsContact O-N 3.15Å; L34-S37 PolarHBondContact O-N 3.12Å; L34-S37 PolarHBondContact O-OG 3.16Å; S37-K39 PolarHBondContact O-N 3.35Å; S37-K39 VanDerWaalsContact O-N 3.15Å; S37-K39 WeakPolarHBondContact OG-CG 3.46Å |
| 38 | G | 60.6 | Low | 63.2 | Low | 64 Ų | 64 | 62.1 Ų | 62.1 | 66% | 0.66 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 9.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T35 D36 R40 | T35-G38 PolarHBondContact O-N 3.13Å; D36-G38 PolarHBondContact O-N 2.98Å; D36-G38 VanDerWaalsContact O-N 3.11Å; G38-R40 PolarHBondContact O-N 3.29Å |
| 39 | K | 57.3 | Low | 60.9 | Low | 99 Ų | 99 | 66.8 Ų | 66.8 | 43% | 0.43 | 34% | 0.344 | S | S | . | . | trans | -63.4 | 130 | 174.5 | -73.3 | -174.4 | 178 | -174.5 | 0 | 109.3 | L34 S37 A41 | L34-K39 HydrophobicContact CD2-CD 4.31Å; S37-K39 PolarHBondContact O-N 3.35Å; S37-K39 VanDerWaalsContact O-N 3.15Å; S37-K39 WeakPolarHBondContact OG-CG 3.46Å; K39-A41 PolarHBondContact O-N 3.11Å | ||
| 40 | R | 53.1 | Low | 58.8 | Low | 185 Ų | 185 | 68.4 Ų | 68.4 | 70% | 0.698 | 36% | 0.355 | S | S | * | . | trans | -57.7 | 136.5 | -170.1 | -84.9 | 176.3 | 175.3 | 171 | -1 | 110.6 | G38 E42 E43 | G38-R40 PolarHBondContact O-N 3.29Å; R40-E42 WeakPolarHBondContact CB-OE2 3.35Å; R40-E42 WeakPolarHBondContact CD-OE2 3.47Å; R40-E42 PolarHBondContact O-N 3.14Å; R40-E43 PolarHBondContact O-N 2.55Å | ||
| 41 | A | 49.5 | Very low | 56.7 | Low | 23 Ų | 23 | 73 Ų | 73 | 19% | 0.19 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -50.5 | -29.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | K39 E43 L44 L45 I307 | K39-A41 PolarHBondContact O-N 3.11Å; A41-E43 VanDerWaalsContact C-N 3.32Å; A41-E43 PolarHBondContact O-N 2.89Å; A41-L44 CarbonylContact O-C 3.44Å; A41-L44 PolarHBondContact O-N 2.82Å; A41-L44 VanDerWaalsContact O-N 3.11Å; A41-L45 HydrophobicContact CB-CD1 3.75Å; A41-L45 HydrophobicContact CB-CG 4.29Å; A41-L45 WeakPolarHBondContact O-CA 3.44Å; A41-L45 WeakPolarHBondContact O-CB 3.41Å; A41-L45 WeakPolarHBondContact O-CD1 3.25Å; A41-L45 WeakPolarHBondContact O-CG 3.48Å; A41-L45 PolarHBondContact O-N 3.22Å; A41-I307 HydrophobicContact CB-CG2 3.62Å |
| 42 | E | 45.9 | Very low | 54.3 | Low | 128 Ų | 128 | 81.8 Ų | 81.8 | 60% | 0.598 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -57.4 | -35.2 | 176 | -70.1 | 103.9 | -164.4 | 0 | 0 | 114.7 | R40 L44 L45 A46 | R40-E42 WeakPolarHBondContact CB-OE2 3.35Å; R40-E42 WeakPolarHBondContact CD-OE2 3.47Å; R40-E42 PolarHBondContact O-N 3.14Å; E42-L44 VanDerWaalsContact C-N 3.34Å; E42-L45 PolarHBondContact O-N 3.09Å; E42-A46 PolarHBondContact O-N 2.81Å |
| 43 | E | 50.3 | Low | 52.2 | Low | 118 Ų | 118 | 84.4 Ų | 84.4 | 55% | 0.551 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -74.3 | -26.6 | 177.3 | -71.6 | 179.8 | 173.2 | 0 | 0 | 112.4 | R40 A41 I174 | R40-E43 PolarHBondContact O-N 2.55Å; A41-E43 VanDerWaalsContact C-N 3.32Å; A41-E43 PolarHBondContact O-N 2.89Å; E43-I174 HydrophobicContact CB-CD1 4.4Å |
| 44 | L | 48.4 | Very low | 49.9 | Very low | 17 Ų | 17 | 88.6 Ų | 88.6 | 9% | 0.089 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -87.4 | -23 | 173.6 | -65.1 | 163.6 | 0 | 0 | 0 | 112.2 | L34 A41 E42 D47 I174 | L34-L44 HydrophobicContact CB-CD1 3.99Å; L34-L44 HydrophobicContact CB-CD2 4.05Å; L34-L44 HydrophobicContact CD1-CD2 3.47Å; L34-L44 VanDerWaalsContact CD1-CD2 3.47Å; L34-L44 HydrophobicContact CG-CD2 4.3Å; A41-L44 CarbonylContact O-C 3.44Å; A41-L44 PolarHBondContact O-N 2.82Å; A41-L44 VanDerWaalsContact O-N 3.11Å; E42-L44 VanDerWaalsContact C-N 3.34Å; L44-D47 WeakPolarHBondContact O-CB 3.44Å; L44-I174 HydrophobicContact CD2-CD1 3.8Å; L44-I174 HydrophobicContact CG-CD1 4.33Å |
| 45 | L | 44.6 | Very low | 48 | Very low | 50 Ų | 50 | 94.6 Ų | 94.6 | 26% | 0.262 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -91.8 | -16.2 | -179.7 | -71.3 | 167.8 | 0 | 0 | 0 | 112.6 | A41 E42 D47 R48 I307 | A41-L45 HydrophobicContact CB-CD1 3.75Å; A41-L45 HydrophobicContact CB-CG 4.29Å; A41-L45 WeakPolarHBondContact O-CA 3.44Å; A41-L45 WeakPolarHBondContact O-CB 3.41Å; A41-L45 WeakPolarHBondContact O-CD1 3.25Å; A41-L45 WeakPolarHBondContact O-CG 3.48Å; A41-L45 PolarHBondContact O-N 3.22Å; E42-L45 PolarHBondContact O-N 3.09Å; L45-D47 PolarHBondContact O-N 2.92Å; L45-R48 HydrophobicContact CD2-CG 4.17Å; L45-R48 WeakPolarHBondContact O-CB 3.16Å; L45-R48 PolarHBondContact O-N 2.82Å; L45-I307 HydrophobicContact CD1-CG2 4.26Å |
| 46 | A | 45 | Very low | 46 | Very low | 70 Ų | 70 | 95 Ų | 95 | 58% | 0.579 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -52.4 | -21.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E42 | E42-A46 PolarHBondContact O-N 2.81Š|
| 47 | D | 46.4 | Very low | 44.4 | Very low | 47 Ų | 47 | 93.2 Ų | 93.2 | 25% | 0.251 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -80.4 | -10.9 | 175.8 | -141.1 | 40.7 | 0 | 0 | 0 | 115.5 | L44 L45 H49 S50 S141 | L44-D47 WeakPolarHBondContact O-CB 3.44Å; L45-D47 PolarHBondContact O-N 2.92Å; D47-H49 PolarHBondContact O-N 2.91Å; D47-S50 WeakPolarHBondContact CA-OG 3.23Å; D47-S50 PolarHBondContact O-N 3.23Å; D47-S50 PolarHBondContact O-OG 2.88Å; D47-S50 PolarHBondContact OD1-OG 3.13Å; D47-S141 VanDerWaalsContact CG-CA 3.48Å; D47-S141 WeakPolarHBondContact OD1-CA 3.09Å; D47-S141 WeakPolarHBondContact OD2-CA 3.35Å; D47-S141 WeakPolarHBondContact OD2-CB 3.25Å; D47-S141 PolarHBondContact OD2-N 2.93Å |
| 48 | R | 40.5 | Very low | 43 | Very low | 157 Ų | 157 | 92.9 Ų | 92.9 | 59% | 0.592 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | -70.6 | -21.1 | 168.9 | -76.7 | -166.2 | 167.2 | -167.3 | -3.8 | 112.3 | L45 | L45-R48 HydrophobicContact CD2-CG 4.17Å; L45-R48 WeakPolarHBondContact O-CB 3.16Å; L45-R48 PolarHBondContact O-N 2.82Å |
| 49 | H | 35.9 | Very low | 42.1 | Very low | 172 Ų | 172 | 96.7 Ų | 96.7 | 80% | 0.796 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -90 | -5.2 | 175.2 | -85 | -89.6 | 0 | 0 | 0 | 113.5 | D47 L51 | D47-H49 PolarHBondContact O-N 2.91Å; H49-L51 VanDerWaalsContact C-N 3.32Å |
| 50 | S | 38.3 | Very low | 41.5 | Very low | 37 Ų | 37 | 94.7 Ų | 94.7 | 26% | 0.259 | 50% | 0.497 | S | S | . | . | trans | -90 | 12.7 | 177.3 | 57 | 0 | 0 | 0 | 0 | 113.8 | D47 K52 G140 | D47-S50 WeakPolarHBondContact CA-OG 3.23Å; D47-S50 PolarHBondContact O-N 3.23Å; D47-S50 PolarHBondContact O-OG 2.88Å; D47-S50 PolarHBondContact OD1-OG 3.13Å; S50-K52 PolarHBondContact O-N 3.22Å; S50-G140 WeakPolarHBondContact CB-O 3.35Å; S50-G140 PolarHBondContact OG-O 3.06Å | ||
| 51 | L | 38.2 | Very low | 41.3 | Very low | 98 Ų | 98 | 93.2 Ų | 93.2 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | trans | -70.4 | 52.8 | 154.5 | -53.6 | 176.8 | 0 | 0 | 0 | 109.9 | H49 Y53 | H49-L51 VanDerWaalsContact C-N 3.32Å; L51-Y53 HydrophobicContact CB-CD2 3.79Å; L51-Y53 HydrophobicContact CB-CE2 3.75Å; L51-Y53 HydrophobicContact CD2-CD2 4.35Å; L51-Y53 HydrophobicContact CD2-CE2 3.42Å; L51-Y53 VanDerWaalsContact CD2-CE2 3.42Å; L51-Y53 HydrophobicContact CG-CE2 4.08Å; L51-Y53 PolarHBondContact O-N 2.9Å | ||
| 52 | K | 31.1 | Very low | 41 | Very low | 199 Ų | 199 | 93.1 Ų | 93.1 | 87% | 0.865 | 51% | 0.505 | S | S | * | . | trans | -83.4 | 54.9 | 172 | -146.1 | 179.6 | -173.3 | -177.7 | 0 | 108.7 | S50 N54 | S50-K52 PolarHBondContact O-N 3.22Å; K52-N54 PolarHBondContact O-N 2.81Å; K52-N54 VanDerWaalsContact O-N 3.12Å | ||
| 53 | Y | 36.4 | Very low | 41.1 | Very low | 67 Ų | 67 | 91.6 Ų | 91.6 | 26% | 0.263 | 51% | 0.506 | S | S | . | . | trans | -70.3 | 102.7 | 170.2 | -63.9 | -80.6 | 0 | 0 | 0 | 107.8 | L51 P362 | L51-Y53 HydrophobicContact CB-CD2 3.79Å; L51-Y53 HydrophobicContact CB-CE2 3.75Å; L51-Y53 HydrophobicContact CD2-CD2 4.35Å; L51-Y53 HydrophobicContact CD2-CE2 3.42Å; L51-Y53 VanDerWaalsContact CD2-CE2 3.42Å; L51-Y53 HydrophobicContact CG-CE2 4.08Å; L51-Y53 PolarHBondContact O-N 2.9Å; Y53-P362 HydrophobicContact CD1-CG 4.21Å; Y53-P362 HydrophobicContact CD2-CG 3.9Å; Y53-P362 HydrophobicContact CG-CG 3.69Å | ||
| 54 | N | 32.8 | Very low | 41.2 | Very low | 149 Ų | 149 | 86.1 Ų | 86.1 | 80% | 0.797 | 48% | 0.48 | S | S | * | . | trans | -144.1 | 58.7 | 163.6 | -138.3 | 12.7 | 0 | 0 | 0 | 109.8 | K52 | K52-N54 PolarHBondContact O-N 2.81Å; K52-N54 VanDerWaalsContact O-N 3.12Å | ||
| 55 | L | 35.7 | Very low | 41.7 | Very low | 131 Ų | 131 | 87.5 Ų | 87.5 | 69% | 0.686 | 49% | 0.49 | S | S | * | . | trans | -138.1 | 96.7 | 160.5 | -68.8 | 173.4 | 0 | 0 | 0 | 106.5 | P65 | L55-P65 HydrophobicContact CB-CG 3.87Å; L55-P65 HydrophobicContact CD1-CG 3.96Å | ||
| 56 | G | 35.1 | Very low | 42.2 | Very low | 52 Ų | 52 | 85.3 Ų | 85.3 | 54% | 0.536 | 48% | 0.479 | S | S | . | . | trans | -57.1 | 150 | 179 | 0 | 0 | 0 | 0 | 0 | 110.7 | P58 | G56-P58 WeakPolarHBondContact O-CD 3.38Š| ||
| 57 | F | 40.3 | Very low | 42.7 | Very low | 27 Ų | 27 | 82.5 Ų | 82.5 | 12% | 0.118 | 46% | 0.455 | C | S | . | . | trans | -67.4 | 113.4 | 166.1 | -60.4 | -109.5 | 0 | 0 | 0 | 106.3 | S59 T64 T67 R252 P364 A365 | F57-S59 PolarHBondContact O-N 3.13Å; F57-T64 HydrophobicContact CD1-CG2 3.51Å; F57-T64 HydrophobicContact CE1-CG2 3.35Å; F57-T64 HydrophobicContact CG-CG2 4.41Å; F57-T64 HydrophobicContact CZ-CG2 4.14Å; F57-T67 HydrophobicContact CE2-CG2 4.2Å; F57-T67 HydrophobicContact CZ-CG2 3.72Å; F57-R252 VanDerWaalsContact CE1-NH1 3.29Å; F57-P364 HydrophobicContact CB-CB 3.74Å; F57-P364 HydrophobicContact CB-CG 3.65Å; F57-P364 HydrophobicContact CD2-CB 3.91Å; F57-P364 HydrophobicContact CD2-CG 3.94Å; F57-P364 HydrophobicContact CG-CB 4Å; F57-P364 HydrophobicContact CG-CG 4.16Å; F57-A365 HydrophobicContact CD1-CB 4.4Å; F57-A365 HydrophobicContact CD2-CB 4.01Å; F57-A365 HydrophobicContact CE1-CB 3.6Å; F57-A365 HydrophobicContact CE2-CB 3.14Å; F57-A365 HydrophobicContact CZ-CB 2.94Å | ||
| 58 | P | 37.7 | Very low | 43.2 | Very low | 60 Ų | 60 | 80.7 Ų | 80.7 | 39% | 0.39 | 45% | 0.445 | S | S | . | . | trans | -66.8 | 141.2 | 165.2 | 26.9 | -23.3 | 0 | 0 | 0 | 106.6 | G56 S60 | G56-P58 WeakPolarHBondContact O-CD 3.38Å; P58-S60 WeakPolarHBondContact CB-OG 3.38Å; P58-S60 WeakPolarHBondContact CG-OG 3.32Å; P58-S60 PolarHBondContact O-N 3.38Å | ||
| 59 | S | 42.6 | Very low | 44 | Very low | 145 Ų | 145 | 75.5 Ų | 75.5 | 100% | 1.014 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -64.1 | 23.1 | 169.2 | -42.8 | 0 | 0 | 0 | 0 | 112.8 | F57 | F57-S59 PolarHBondContact O-N 3.13Š|
| 60 | S | 44.4 | Very low | 45.2 | Very low | 57 Ų | 57 | 69.4 Ų | 69.4 | 40% | 0.399 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -110.1 | 160.9 | -168.8 | 81.5 | 0 | 0 | 0 | 0 | 111.5 | P58 G62 | P58-S60 WeakPolarHBondContact CB-OG 3.38Å; P58-S60 WeakPolarHBondContact CG-OG 3.32Å; P58-S60 PolarHBondContact O-N 3.38Å; S60-G62 PolarHBondContact O-N 3.38Å; S60-G62 VanDerWaalsContact O-N 3.13Å; S60-G62 PolarHBondContact OG-N 2.9Å |
| 61 | N | 47.5 | Very low | 46.4 | Very low | 153 Ų | 153 | 68 Ų | 68 | 82% | 0.818 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -73.1 | 10.3 | 172.4 | -70.6 | -28 | 0 | 0 | 0 | 114 | ||
| 62 | G | 43.9 | Very low | 47.8 | Very low | 22 Ų | 22 | 63.7 Ų | 63.7 | 23% | 0.227 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -77.1 | 167.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S60 T64 | S60-G62 PolarHBondContact O-N 3.38Å; S60-G62 VanDerWaalsContact O-N 3.13Å; S60-G62 PolarHBondContact OG-N 2.9Å; G62-T64 PolarHBondContact O-N 2.91Å |
| 63 | P | 48.6 | Very low | 49.7 | Very low | 95 Ų | 95 | 54.5 Ų | 54.5 | 62% | 0.617 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 131.8 | 176.2 | -22 | 32.3 | 0 | 0 | 0 | 111.2 | R191 | P63-R191 WeakPolarHBondContact CA-O 3.44Š|
| 64 | T | 52.8 | Low | 51.6 | Low | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -100.9 | 129.8 | 175.3 | -57.9 | 0 | 0 | 0 | 0 | 108.3 | F57 G62 E66 R191 I192 R252 | F57-T64 HydrophobicContact CD1-CG2 3.51Å; F57-T64 HydrophobicContact CE1-CG2 3.35Å; F57-T64 HydrophobicContact CG-CG2 4.41Å; F57-T64 HydrophobicContact CZ-CG2 4.14Å; G62-T64 PolarHBondContact O-N 2.91Å; T64-E66 PolarHBondContact O-N 3.27Å; T64-R191 PolarHBondContact N-O 3.23Å; T64-I192 VanDerWaalsContact O-CA 3.24Å; T64-I192 WeakPolarHBondContact O-CA 3.32Å; T64-R252 PolarHBondContact OG1-NH2 2.81Å |
| 65 | P | 57.1 | Low | 53.9 | Low | 46 Ų | 46 | 44.8 Ų | 44.8 | 30% | 0.299 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 137.7 | 175.6 | -22 | 32.2 | 0 | 0 | 0 | 110.9 | L55 T67 | L55-P65 HydrophobicContact CB-CG 3.87Å; L55-P65 HydrophobicContact CD1-CG 3.96Å; P65-T67 PolarHBondContact O-N 3.02Å |
| 66 | E | 56.5 | Low | 56.6 | Low | 5 Ų | 5 | 39.1 Ų | 39.1 | 2% | 0.023 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -55.5 | 119.4 | 171.5 | -168.6 | -177.6 | 132.6 | 0 | 0 | 109.7 | T64 K69 Y71 S97 | T64-E66 PolarHBondContact O-N 3.27Å; E66-K69 WeakPolarHBondContact O-CE 3.47Å; E66-Y71 PolarHBondContact OE1-OH 3.44Å; E66-S97 WeakPolarHBondContact OE1-CB 3.46Å; E66-S97 VanDerWaalsContact OE2-CB 3.32Å; E66-S97 WeakPolarHBondContact OE2-CB 3.46Å |
| 67 | T | 55.9 | Low | 59.5 | Low | 11 Ų | 11 | 38 Ų | 38 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | trans | -104.4 | -16.7 | -176.9 | 49.3 | 0 | 0 | 0 | 0 | 114.9 | F57 P65 Y255 | F57-T67 HydrophobicContact CE2-CG2 4.2Å; F57-T67 HydrophobicContact CZ-CG2 3.72Å; P65-T67 PolarHBondContact O-N 3.02Å; T67-Y255 PolarHBondContact N-OH 2.71Å; T67-Y255 PolarHBondContact OG1-OH 3.06Å | ||
| 68 | L | 56.7 | Low | 62.1 | Low | 9 Ų | 9 | 36.9 Ų | 36.9 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | trans | -88.3 | 110.3 | 175.8 | -61.1 | -171.3 | 0 | 0 | 0 | 108.5 | Y255 I279 I361 I370 | L68-Y255 HydrophobicContact CD1-CD1 4.12Å; L68-Y255 HydrophobicContact CD1-CE1 4.11Å; L68-Y255 HydrophobicContact CG-CD1 4.5Å; L68-Y255 HydrophobicContact CG-CE1 4.01Å; L68-I279 HydrophobicContact CD1-CB 4.37Å; L68-I279 HydrophobicContact CD1-CD1 3.87Å; L68-I279 HydrophobicContact CD1-CG2 3.85Å; L68-I279 HydrophobicContact CD2-CD1 4.33Å; L68-I279 HydrophobicContact CG-CD1 4.32Å; L68-I361 HydrophobicContact CD2-CD1 3.91Å; L68-I370 HydrophobicContact CD1-CD1 4.26Å; L68-I370 HydrophobicContact CD2-CD1 3.41Å; L68-I370 VanDerWaalsContact CD2-CD1 3.41Å; L68-I370 HydrophobicContact CD2-CG1 4.23Å; L68-I370 HydrophobicContact CG-CD1 4.41Å | ||
| 69 | K | 57.6 | Low | 64.9 | Low | 47 Ų | 47 | 40.2 Ų | 40.2 | 20% | 0.204 | 23% | 0.234 | C | C | . | . | trans | -135.3 | 15.7 | -160.8 | -66.6 | -176.8 | 175 | -154.5 | 0 | 115.1 | E66 Q138 Y139 G140 | E66-K69 WeakPolarHBondContact O-CE 3.47Å; K69-Q138 WeakPolarHBondContact CD-O 3.38Å; K69-Q138 WeakPolarHBondContact CE-O 3.2Å; K69-Q138 PolarHBondContact NZ-O 2.81Å; K69-Y139 WeakPolarHBondContact O-CB 3.28Å; K69-G140 WeakPolarHBondContact O-CA 3.44Å; K69-G140 PolarHBondContact O-N 3.32Å | ||
| 70 | N | 60.6 | Low | 67.6 | Low | 44 Ų | 44 | 33.4 Ų | 33.4 | 24% | 0.235 | 19% | 0.187 | C | C | . | . | trans | -115.4 | 104.3 | -177.3 | 178.3 | 23.3 | 0 | 0 | 0 | 111.7 | R31 L72 D73 | R31-N70 PolarHBondContact NH2-ND2 3.43Å; N70-L72 WeakPolarHBondContact OD1-CB 3.39Å; N70-L72 VanDerWaalsContact OD1-CG 3.26Å; N70-L72 WeakPolarHBondContact OD1-CG 3.13Å; N70-L72 PolarHBondContact OD1-N 3.31Å; N70-D73 PolarHBondContact ND2-OD2 3.16Å | ||
| 71 | Y | 63 | Low | 70.2 | Confident | 8 Ų | 8 | 32 Ų | 32 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | trans | -98.4 | 4.6 | 174.7 | -56.4 | -64.2 | 0 | 0 | 0 | 113.9 | E66 D73 A74 D94 Y139 I184 | E66-Y71 PolarHBondContact OE1-OH 3.44Å; Y71-D73 PolarHBondContact O-N 2.98Å; Y71-A74 PolarHBondContact O-N 3.17Å; Y71-A74 VanDerWaalsContact O-N 3.13Å; Y71-D94 WeakPolarHBondContact CE1-OD2 3.33Å; Y71-D94 PolarHBondContact OH-OD2 2.9Å; Y71-Y139 HydrophobicContact CD2-CD1 4.2Å; Y71-Y139 HydrophobicContact CD2-CG 4.32Å; Y71-Y139 AromaticContact CE2-CD1 3.34Å; Y71-Y139 HydrophobicContact CE2-CD1 3.34Å; Y71-Y139 HydrophobicContact CE2-CD2 4.38Å; Y71-Y139 AromaticContact CE2-CE1 3.38Å; Y71-Y139 HydrophobicContact CE2-CE1 3.38Å; Y71-Y139 HydrophobicContact CE2-CE2 4.4Å; Y71-Y139 AromaticContact CE2-CG 3.85Å; Y71-Y139 HydrophobicContact CE2-CG 3.85Å; Y71-Y139 AromaticContact CE2-CZ 3.93Å; Y71-Y139 AromaticContact CZ-CE1 3.92Å; Y71-I184 HydrophobicContact CD1-CD1 4.19Å; Y71-I184 HydrophobicContact CD2-CD1 3.62Å; Y71-I184 HydrophobicContact CE1-CD1 3.84Å; Y71-I184 HydrophobicContact CE2-CD1 3.17Å; Y71-I184 HydrophobicContact CG-CD1 4.08Å | ||
| 72 | L | 68.4 | Low | 72.6 | Confident | 8 Ų | 8 | 24.7 Ų | 24.7 | 4% | 0.042 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -25.8 | 178.6 | -66.1 | 176.5 | 0 | 0 | 0 | 111.8 | S29 I30 R31 N70 A175 | S29-L72 WeakPolarHBondContact CB-O 3.34Å; I30-L72 HydrophobicContact CB-CD2 4.34Å; I30-L72 HydrophobicContact CG2-CD2 3.67Å; I30-L72 PolarHBondContact N-O 3.12Å; I30-L72 VanDerWaalsContact N-O 3.16Å; R31-L72 HydrophobicContact CB-CB 4.21Å; R31-L72 WeakPolarHBondContact CB-O 3.33Å; R31-L72 PolarHBondContact N-O 2.98Å; N70-L72 WeakPolarHBondContact OD1-CB 3.39Å; N70-L72 VanDerWaalsContact OD1-CG 3.26Å; N70-L72 WeakPolarHBondContact OD1-CG 3.13Å; N70-L72 PolarHBondContact OD1-N 3.31Å; L72-A175 HydrophobicContact CD2-CB 3.81Å |
| 73 | D | 70.1 | Confident | 75.2 | Confident | 6 Ų | 6 | 23.7 Ų | 23.7 | 3% | 0.032 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -10.9 | -175.3 | -61 | -63.4 | 0 | 0 | 0 | 113.2 | S29 R31 N70 Y71 Q75 S285 | S29-D73 WeakPolarHBondContact CB-O 3.25Å; R31-D73 WeakPolarHBondContact CD-OD1 3.43Å; R31-D73 IonicContact CZ-OD1 2.67Å; R31-D73 IonicContact CZ-OD2 3.47Å; R31-D73 IonicContact NE-OD1 3.86Å; R31-D73 PolarHBondContact NE-OD1 3.41Å; R31-D73 IonicContact NE-OD2 2.71Å; R31-D73 PolarHBondContact NE-OD2 2.9Å; R31-D73 IonicContact NH2-OD1 3.62Å; R31-D73 IonicContact NH2-OD2 2.73Å; R31-D73 PolarHBondContact NH2-OD2 3.42Å; N70-D73 PolarHBondContact ND2-OD2 3.16Å; Y71-D73 PolarHBondContact O-N 2.98Å; D73-Q75 WeakPolarHBondContact O-CG 3.46Å; D73-S285 WeakPolarHBondContact O-CB 3.37Å; D73-S285 PolarHBondContact O-OG 2.85Å |
| 74 | A | 75.5 | Confident | 77.6 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -55.1 | 140.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F27 Y71 V92 | F27-A74 WeakPolarHBondContact CE2-O 3.24Å; F27-A74 HydrophobicContact CZ-CB 4.3Å; F27-A74 WeakPolarHBondContact CZ-O 3.3Å; Y71-A74 PolarHBondContact O-N 3.17Å; Y71-A74 VanDerWaalsContact O-N 3.13Å; A74-V92 HydrophobicContact CB-CG2 4.4Å | ||
| 75 | Q | 83.1 | Confident | 79.8 | Confident | 11 Ų | 11 | 26 Ų | 26 | 5% | 0.051 | 14% | 0.141 | C | C | . | . | trans | -131.2 | -4.2 | -171.4 | -75.2 | -177.8 | -26.4 | 0 | 0 | 115.4 | K26 F27 D73 S285 | K26-Q75 CarbonylContact C-O 3.5Å; K26-Q75 VanDerWaalsContact CA-O 3.25Å; K26-Q75 WeakPolarHBondContact CA-O 3.37Å; F27-Q75 WeakPolarHBondContact CD1-O 3.27Å; F27-Q75 PolarHBondContact N-O 3.05Å; D73-Q75 WeakPolarHBondContact O-CG 3.46Å; Q75-S285 WeakPolarHBondContact CB-OG 3.43Å; Q75-S285 WeakPolarHBondContact CG-OG 3.18Å; Q75-S285 PolarHBondContact N-OG 2.75Å | ||
| 76 | Y | 91.9 | Very high | 81.7 | Confident | 13 Ų | 13 | 27.6 Ų | 27.6 | 5% | 0.051 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 135.6 | -180 | -56.7 | -89.5 | 0 | 0 | 0 | 111.3 | K25 K26 F27 L219 N220 G228 D373 | K25-Y76 WeakPolarHBondContact O-CA 3.27Å; K26-Y76 HydrophobicContact CB-CD1 3.99Å; K26-Y76 HydrophobicContact CB-CE1 3.7Å; K26-Y76 HydrophobicContact CD-CE1 3.96Å; K26-Y76 HydrophobicContact CG-CD1 4.17Å; K26-Y76 HydrophobicContact CG-CE1 3.62Å; F27-Y76 VanDerWaalsContact CE1-N 3.31Å; Y76-L219 HydrophobicContact CD1-CD2 4.17Å; Y76-L219 HydrophobicContact CD2-CD1 4.24Å; Y76-L219 HydrophobicContact CD2-CD2 4.03Å; Y76-L219 HydrophobicContact CE1-CD2 4.41Å; Y76-L219 HydrophobicContact CE2-CB 4.4Å; Y76-L219 HydrophobicContact CE2-CD1 4.11Å; Y76-L219 HydrophobicContact CE2-CD2 4.29Å; Y76-L219 HydrophobicContact CG-CD2 3.98Å; Y76-N220 PolarHBondContact OH-O 3.22Å; Y76-G228 VanDerWaalsContact CE1-O 3.29Å; Y76-G228 WeakPolarHBondContact CE1-O 3Å; Y76-D373 WeakPolarHBondContact CD2-OD2 3.47Å; Y76-D373 HydrophobicContact CE2-CB 4.08Å; Y76-D373 WeakPolarHBondContact CE2-OD2 3.41Å |
| 77 | Y | 94.5 | Very high | 83.7 | Confident | 29 Ų | 29 | 28.6 Ų | 28.6 | 11% | 0.114 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 156.1 | 168.6 | 68 | -100.7 | 0 | 0 | 0 | 110 | L24 K25 F27 T90 V91 K180 F181 | L24-Y77 CarbonylContact C-O 3.51Å; L24-Y77 WeakPolarHBondContact CA-O 3.26Å; K25-Y77 HydrophobicContact CB-CD2 4.47Å; K25-Y77 HydrophobicContact CB-CE1 4.37Å; K25-Y77 HydrophobicContact CB-CE2 4.03Å; K25-Y77 HydrophobicContact CD-CE2 4.38Å; K25-Y77 WeakPolarHBondContact CD-OH 3.44Å; K25-Y77 HydrophobicContact CG-CE1 4.32Å; K25-Y77 PolarHBondContact N-O 2.91Å; K25-Y77 PolarHBondContact O-N 3.49Å; K25-Y77 VanDerWaalsContact O-N 3.11Å; F27-Y77 HydrophobicContact CB-CD1 4.28Å; F27-Y77 HydrophobicContact CB-CE1 3.94Å; F27-Y77 AromaticContact CD1-CD1 3.43Å; F27-Y77 HydrophobicContact CD1-CD1 3.43Å; F27-Y77 VanDerWaalsContact CD1-CD1 3.43Å; F27-Y77 AromaticContact CD1-CE1 3.99Å; F27-Y77 HydrophobicContact CD1-CE1 3.99Å; F27-Y77 AromaticContact CE1-CD1 3.91Å; F27-Y77 HydrophobicContact CE1-CD1 3.91Å; F27-Y77 AromaticContact CG-CD1 3.98Å; F27-Y77 HydrophobicContact CG-CD1 3.98Å; F27-Y77 HydrophobicContact CG-CE1 4.11Å; Y77-T90 HydrophobicContact CD2-CG2 3.85Å; Y77-T90 HydrophobicContact CE2-CG2 3.67Å; Y77-V91 CarbonylContact C-O 3.53Å; Y77-V91 WeakPolarHBondContact CA-O 3.42Å; Y77-V91 VanDerWaalsContact CB-O 3.31Å; Y77-V91 WeakPolarHBondContact CB-O 3.33Å; Y77-K180 HydrophobicContact CE1-CB 4.35Å; Y77-F181 HydrophobicContact CG-CB 4.34Å |
| 78 | G | 95.8 | Very high | 85.7 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | -170.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | T90 V91 | G78-T90 CarbonylContact O-C 3.5Å; G78-T90 WeakPolarHBondContact O-CA 3.48Å; G78-V91 PolarHBondContact N-O 2.99Å; G78-V91 PolarHBondContact O-N 2.82Å |
| 79 | E | 97.4 | Very high | 87.7 | Confident | 131 Ų | 131 | 31.4 Ų | 31.4 | 61% | 0.612 | 18% | 0.175 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 140.5 | -175.2 | -66.1 | -176.6 | 177.5 | 0 | 0 | 112 | F89 T90 | E79-F89 WeakPolarHBondContact CA-O 3.3Å; E79-T90 HydrophobicContact CG-CG2 4.28Å |
| 80 | I | 98.4 | Very high | 89.6 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 172.7 | 167.8 | 67.3 | 170.3 | 0 | 0 | 0 | 108.9 | P88 F89 V91 F93 L100 T154 I155 L185 | I80-P88 WeakPolarHBondContact O-CA 3.47Å; I80-F89 HydrophobicContact CG1-CB 4.04Å; I80-F89 PolarHBondContact N-O 3.41Å; I80-F89 PolarHBondContact O-N 2.76Å; I80-V91 HydrophobicContact CD1-CG1 3.66Å; I80-V91 HydrophobicContact CD1-CG2 4.16Å; I80-V91 HydrophobicContact CG1-CG1 3.89Å; I80-V91 HydrophobicContact CG1-CG2 4.11Å; I80-V91 HydrophobicContact CG2-CG2 3.72Å; I80-F93 HydrophobicContact CG2-CE1 4.25Å; I80-F93 HydrophobicContact CG2-CZ 3.84Å; I80-L100 HydrophobicContact CD1-CD1 3.71Å; I80-L100 HydrophobicContact CD1-CD2 4.42Å; I80-T154 CarbonylContact C-O 3.55Å; I80-T154 WeakPolarHBondContact CA-O 3.37Å; I80-I155 HydrophobicContact CG2-CD1 4.49Å; I80-I155 HydrophobicContact CG2-CG1 3.88Å; I80-I155 HydrophobicContact CG2-CG2 4.44Å; I80-L185 HydrophobicContact CD1-CD1 4.22Å; I80-L185 HydrophobicContact CG2-CD1 3.9Å |
| 81 | S | 98.6 | Very high | 91.3 | Very high | 27 Ų | 27 | 28 Ų | 28 | 19% | 0.189 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 151.8 | 166.3 | -61.2 | 0 | 0 | 0 | 0 | 112.3 | Q87 C153 T154 | S81-Q87 CarbonylContact C-O 3.57Å; S81-Q87 WeakPolarHBondContact CA-O 3.26Å; S81-Q87 WeakPolarHBondContact CB-O 3.25Å; S81-C153 CarbonylContact O-C 3.52Å; S81-C153 WeakPolarHBondContact O-CA 3.25Å; S81-T154 PolarHBondContact N-O 2.73Å; S81-T154 PolarHBondContact O-N 3.28Å |
| 82 | L | 98.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 136 | 177.7 | -68.8 | 165.6 | 0 | 0 | 0 | 110.8 | Q87 F89 L100 V102 Y120 T152 C153 F165 | L82-Q87 PolarHBondContact N-O 2.88Å; L82-Q87 WeakPolarHBondContact O-CB 3.37Å; L82-Q87 PolarHBondContact O-N 2.89Å; L82-F89 HydrophobicContact CB-CD2 4.38Å; L82-F89 HydrophobicContact CB-CE2 4.05Å; L82-F89 HydrophobicContact CD1-CD2 4.06Å; L82-F89 HydrophobicContact CD1-CE2 4.06Å; L82-F89 HydrophobicContact CG-CD2 4.32Å; L82-F89 HydrophobicContact CG-CE2 4.39Å; L82-L100 HydrophobicContact CD2-CD2 4.19Å; L82-V102 HydrophobicContact CD1-CB 4.35Å; L82-V102 HydrophobicContact CD1-CG1 3.87Å; L82-V102 HydrophobicContact CD1-CG2 3.54Å; L82-Y120 HydrophobicContact CB-CD2 3.81Å; L82-Y120 HydrophobicContact CB-CE2 3.92Å; L82-Y120 HydrophobicContact CD1-CD2 4.41Å; L82-T152 WeakPolarHBondContact CA-O 3.22Å; L82-C153 HydrophobicContact CD2-CB 3.77Å; L82-F165 HydrophobicContact CD1-CD2 4.09Å; L82-F165 HydrophobicContact CD1-CE2 3.84Å; L82-F165 HydrophobicContact CD1-CZ 4.08Å; L82-F165 HydrophobicContact CD2-CD1 4.21Å; L82-F165 HydrophobicContact CD2-CE1 4.14Å; L82-F165 HydrophobicContact CD2-CZ 4.45Å |
| 83 | G | 98.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | -178.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | P85 P86 S125 D151 T152 | G83-P85 CarbonylContact C-O 3.46Å; G83-P85 CarbonylContact O-C 3.19Å; G83-P86 WeakPolarHBondContact O-CA 3.3Å; G83-S125 WeakPolarHBondContact CA-OG 3.46Å; G83-D151 VanDerWaalsContact CA-CG 3.4Å; G83-D151 WeakPolarHBondContact CA-OD1 3.43Å; G83-D151 WeakPolarHBondContact CA-OD2 2.98Å; G83-T152 PolarHBondContact N-O 3.23Å |
| 84 | T | 98.4 | Very high | 95.3 | Very high | 54 Ų | 54 | 27.3 Ų | 27.3 | 33% | 0.331 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -134.8 | 112.6 | 179 | -59.9 | 0 | 0 | 0 | 0 | 110.5 | S125 T126 T127 | T84-S125 PolarHBondContact N-OG 2.94Å; T84-S125 CarbonylContact O-C 3.39Å; T84-S125 WeakPolarHBondContact O-CA 3.42Å; T84-T126 WeakPolarHBondContact CB-OG1 3.41Å; T84-T126 WeakPolarHBondContact CG2-OG1 3.47Å; T84-T126 PolarHBondContact O-N 3.13Å; T84-T126 PolarHBondContact O-OG1 2.83Å; T84-T127 WeakPolarHBondContact CB-OG1 3.49Å; T84-T127 PolarHBondContact N-OG1 2.95Å; T84-T127 PolarHBondContact OG1-OG1 2.84Å |
| 85 | P | 98.2 | Very high | 96.3 | Very high | 91 Ų | 91 | 27.3 Ų | 27.3 | 59% | 0.591 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -62.8 | 154.4 | -1.2 | 28.1 | -36.3 | 0 | 0 | 0 | 113 | G83 Q87 | G83-P85 CarbonylContact C-O 3.46Å; G83-P85 CarbonylContact O-C 3.19Å; P85-Q87 PolarHBondContact O-N 3.25Å |
| 86 | P | 98.3 | Very high | 96.6 | Very high | 80 Ų | 80 | 26.8 Ų | 26.8 | 52% | 0.519 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 131.2 | -178.1 | -22.8 | 33.3 | 0 | 0 | 0 | 112.9 | G83 | G83-P86 WeakPolarHBondContact O-CA 3.3Š|
| 87 | Q | 98.5 | Very high | 96.5 | Very high | 26 Ų | 26 | 26.2 Ų | 26.2 | 12% | 0.121 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 119.3 | 172.2 | -60.1 | 173.6 | 63.3 | 0 | 0 | 108.6 | S81 L82 P85 F89 N121 | S81-Q87 CarbonylContact C-O 3.57Å; S81-Q87 WeakPolarHBondContact CA-O 3.26Å; S81-Q87 WeakPolarHBondContact CB-O 3.25Å; L82-Q87 PolarHBondContact N-O 2.88Å; L82-Q87 WeakPolarHBondContact O-CB 3.37Å; L82-Q87 PolarHBondContact O-N 2.89Å; P85-Q87 PolarHBondContact O-N 3.25Å; Q87-F89 HydrophobicContact CB-CE2 3.87Å; Q87-F89 HydrophobicContact CB-CZ 4.36Å; Q87-F89 WeakPolarHBondContact O-CD2 3.46Å; Q87-F89 WeakPolarHBondContact O-CE2 3.35Å; Q87-N121 PolarHBondContact NE2-O 3.38Å |
| 88 | P | 98.2 | Very high | 96.5 | Very high | 76 Ų | 76 | 24.8 Ų | 24.8 | 49% | 0.494 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 144.9 | -172.7 | 31.3 | -35.5 | 0 | 0 | 0 | 112.7 | I80 | I80-P88 WeakPolarHBondContact O-CA 3.47Å |
| 89 | F | 98.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 2% | 0.018 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 144.7 | 173.9 | -63.2 | -86.8 | 0 | 0 | 0 | 110.5 | E79 I80 L82 Q87 V91 V102 H118 Y120 D182 | E79-F89 WeakPolarHBondContact CA-O 3.3Å; I80-F89 HydrophobicContact CG1-CB 4.04Å; I80-F89 PolarHBondContact N-O 3.41Å; I80-F89 PolarHBondContact O-N 2.76Å; L82-F89 HydrophobicContact CB-CD2 4.38Å; L82-F89 HydrophobicContact CB-CE2 4.05Å; L82-F89 HydrophobicContact CD1-CD2 4.06Å; L82-F89 HydrophobicContact CD1-CE2 4.06Å; L82-F89 HydrophobicContact CG-CD2 4.32Å; L82-F89 HydrophobicContact CG-CE2 4.39Å; Q87-F89 HydrophobicContact CB-CE2 3.87Å; Q87-F89 HydrophobicContact CB-CZ 4.36Å; Q87-F89 WeakPolarHBondContact O-CD2 3.46Å; Q87-F89 WeakPolarHBondContact O-CE2 3.35Å; F89-V91 HydrophobicContact CB-CG1 4.44Å; F89-V102 HydrophobicContact CB-CG1 4.22Å; F89-V102 HydrophobicContact CD1-CB 3.95Å; F89-V102 HydrophobicContact CD1-CG1 3.89Å; F89-V102 HydrophobicContact CD2-CG1 4.35Å; F89-V102 HydrophobicContact CE1-CB 4.06Å; F89-V102 HydrophobicContact CE1-CG1 4.43Å; F89-V102 HydrophobicContact CE1-CG2 4.28Å; F89-V102 HydrophobicContact CG-CB 4.38Å; F89-V102 HydrophobicContact CG-CG1 3.87Å; F89-V102 HydrophobicContact CZ-CG2 4.39Å; F89-H118 HydrophobicContact CD1-CB 3.92Å; F89-H118 HydrophobicContact CE1-CB 3.9Å; F89-Y120 HydrophobicContact CE2-CD2 4.43Å; F89-Y120 HydrophobicContact CZ-CD2 4.47Å; F89-D182 HydrophobicContact CB-CB 4.35Å; F89-D182 HydrophobicContact CD1-CB 3.96Å |
| 90 | T | 97.1 | Very high | 96.5 | Very high | 18 Ų | 18 | 18.7 Ų | 18.7 | 11% | 0.11 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 131.6 | 167 | 52 | 0 | 0 | 0 | 0 | 109.6 | Y77 G78 E79 F181 D182 G183 | Y77-T90 HydrophobicContact CD2-CG2 3.85Å; Y77-T90 HydrophobicContact CE2-CG2 3.67Å; G78-T90 CarbonylContact O-C 3.5Å; G78-T90 WeakPolarHBondContact O-CA 3.48Å; E79-T90 HydrophobicContact CG-CG2 4.28Å; T90-F181 WeakPolarHBondContact OG1-CA 3.33Å; T90-D182 PolarHBondContact N-OD2 3.41Å; T90-D182 WeakPolarHBondContact O-CA 3Å; T90-D182 WeakPolarHBondContact O-CB 3.43Å; T90-D182 PolarHBondContact O-N 3.31Å; T90-D182 VanDerWaalsContact OG1-CG 3.28Å; T90-D182 PolarHBondContact OG1-N 3.01Å; T90-D182 PolarHBondContact OG1-OD2 3.28Å; T90-G183 PolarHBondContact O-N 2.71Å; T90-G183 VanDerWaalsContact O-N 3.07Å |
| 91 | V | 96.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 147 | -177.5 | -61.2 | 0 | 0 | 0 | 0 | 112.8 | Y77 G78 I80 F89 F93 G183 L185 | Y77-V91 CarbonylContact C-O 3.53Å; Y77-V91 WeakPolarHBondContact CA-O 3.42Å; Y77-V91 VanDerWaalsContact CB-O 3.31Å; Y77-V91 WeakPolarHBondContact CB-O 3.33Å; G78-V91 PolarHBondContact N-O 2.99Å; G78-V91 PolarHBondContact O-N 2.82Å; I80-V91 HydrophobicContact CD1-CG1 3.66Å; I80-V91 HydrophobicContact CD1-CG2 4.16Å; I80-V91 HydrophobicContact CG1-CG1 3.89Å; I80-V91 HydrophobicContact CG1-CG2 4.11Å; I80-V91 HydrophobicContact CG2-CG2 3.72Å; F89-V91 HydrophobicContact CB-CG1 4.44Å; V91-F93 HydrophobicContact CG2-CD2 4.45Å; V91-F93 HydrophobicContact CG2-CE1 4.47Å; V91-F93 HydrophobicContact CG2-CE2 4.08Å; V91-F93 HydrophobicContact CG2-CZ 4.08Å; V91-G183 VanDerWaalsContact CA-O 3.23Å; V91-G183 WeakPolarHBondContact CA-O 3.46Å; V91-L185 HydrophobicContact CB-CB 4.35Å; V91-L185 HydrophobicContact CG2-CB 3.96Å |
| 92 | V | 94.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.006 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 125.2 | 162.4 | 179.8 | 0 | 0 | 0 | 0 | 108.1 | A74 D94 F181 G183 L185 | A74-V92 HydrophobicContact CB-CG2 4.4Å; V92-D94 HydrophobicContact CG1-CB 4.24Å; V92-D94 PolarHBondContact O-N 2.92Å; V92-F181 HydrophobicContact CG2-CB 4.47Å; V92-F181 HydrophobicContact CG2-CD1 3.59Å; V92-F181 HydrophobicContact CG2-CD2 3.95Å; V92-F181 HydrophobicContact CG2-CE1 3.65Å; V92-F181 HydrophobicContact CG2-CE2 3.99Å; V92-F181 HydrophobicContact CG2-CG 3.75Å; V92-F181 HydrophobicContact CG2-CZ 3.84Å; V92-G183 PolarHBondContact N-O 2.75Å; V92-G183 VanDerWaalsContact N-O 3.17Å; V92-L185 PolarHBondContact O-N 3.09Å |
| 93 | F | 97 | Very high | 96.1 | Very high | 5 Ų | 5 | 17.4 Ų | 17.4 | 2% | 0.022 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 104.8 | 169.5 | -68.8 | -87.9 | 0 | 0 | 0 | 108.6 | I22 L24 I80 V91 I155 L185 M187 F217 L231 T282 | I22-F93 HydrophobicContact CG2-CE2 3.91Å; I22-F93 HydrophobicContact CG2-CZ 4.04Å; L24-F93 HydrophobicContact CD2-CD2 3.8Å; L24-F93 HydrophobicContact CD2-CE2 4.13Å; I80-F93 HydrophobicContact CG2-CE1 4.25Å; I80-F93 HydrophobicContact CG2-CZ 3.84Å; V91-F93 HydrophobicContact CG2-CD2 4.45Å; V91-F93 HydrophobicContact CG2-CE1 4.47Å; V91-F93 HydrophobicContact CG2-CE2 4.08Å; V91-F93 HydrophobicContact CG2-CZ 4.08Å; F93-I155 HydrophobicContact CE1-CD1 4.41Å; F93-I155 HydrophobicContact CE1-CG2 4.21Å; F93-I155 HydrophobicContact CZ-CG2 4.14Å; F93-L185 HydrophobicContact CD1-CB 4.33Å; F93-L185 HydrophobicContact CD1-CD1 4.37Å; F93-L185 HydrophobicContact CD1-CD2 4Å; F93-L185 HydrophobicContact CD1-CG 4.47Å; F93-L185 HydrophobicContact CE1-CD1 3.91Å; F93-L185 HydrophobicContact CE1-CD2 4.28Å; F93-L185 HydrophobicContact CE1-CG 4.48Å; F93-M187 HydrophobicContact CB-CG 4.33Å; F93-M187 HydrophobicContact CD1-CG 4.44Å; F93-M187 HydrophobicContact CD1-SD 4.23Å; F93-F217 HydrophobicContact CB-CE1 4.1Å; F93-F217 HydrophobicContact CB-CZ 3.75Å; F93-L231 HydrophobicContact CB-CD2 4.38Å; F93-L231 HydrophobicContact CD1-CD2 3.43Å; F93-L231 VanDerWaalsContact CD1-CD2 3.43Å; F93-L231 HydrophobicContact CD2-CD2 4.12Å; F93-L231 HydrophobicContact CE1-CD2 3.58Å; F93-L231 HydrophobicContact CE2-CD2 4.25Å; F93-L231 HydrophobicContact CG-CD2 3.72Å; F93-L231 HydrophobicContact CZ-CD2 4.01Å; F93-T282 PolarHBondContact O-OG1 2.9Å |
| 94 | D | 94.5 | Very high | 96 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.011 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 107.1 | -162.7 | 174.4 | 15.6 | 0 | 0 | 0 | 111.4 | Y71 V92 G96 S97 I184 L185 G186 M187 G283 | Y71-D94 WeakPolarHBondContact CE1-OD2 3.33Å; Y71-D94 PolarHBondContact OH-OD2 2.9Å; V92-D94 HydrophobicContact CG1-CB 4.24Å; V92-D94 PolarHBondContact O-N 2.92Å; D94-G96 PolarHBondContact O-N 2.83Å; D94-G96 VanDerWaalsContact OD1-CA 3.29Å; D94-G96 WeakPolarHBondContact OD1-CA 3.36Å; D94-G96 PolarHBondContact OD1-N 2.8Å; D94-S97 WeakPolarHBondContact CB-OG 3.29Å; D94-S97 PolarHBondContact O-N 2.79Å; D94-S97 WeakPolarHBondContact OD2-CB 3.31Å; D94-S97 PolarHBondContact OD2-N 3.41Å; D94-S97 PolarHBondContact OD2-OG 2.95Å; D94-I184 HydrophobicContact CB-CG2 3.69Å; D94-L185 PolarHBondContact N-O 2.79Å; D94-G186 CarbonylContact O-C 3.5Å; D94-G186 WeakPolarHBondContact O-CA 3Å; D94-M187 PolarHBondContact O-N 2.93Å; D94-G283 VanDerWaalsContact OD1-CA 3.31Å; D94-G283 WeakPolarHBondContact OD1-CA 3.37Å |
| 95 | T | 95.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -3.1 | 176.3 | 53.2 | 0 | 0 | 0 | 0 | 113.9 | M187 A188 F215 F217 V280 D281 T282 F383 | T95-M187 HydrophobicContact CG2-CB 3.8Å; T95-A188 WeakPolarHBondContact O-CB 3.5Å; T95-F215 HydrophobicContact CG2-CE2 3.78Å; T95-F215 HydrophobicContact CG2-CZ 4.09Å; T95-F217 HydrophobicContact CG2-CE2 4.27Å; T95-V280 PolarHBondContact OG1-O 3.39Å; T95-D281 VanDerWaalsContact OG1-CA 3.25Å; T95-D281 WeakPolarHBondContact OG1-CA 3.35Å; T95-D281 PolarHBondContact OG1-OD1 3.4Å; T95-T282 HydrophobicContact CG2-CG2 4.25Å; T95-T282 PolarHBondContact N-OG1 2.67Å; T95-T282 VanDerWaalsContact N-OG1 3.14Å; T95-T282 PolarHBondContact OG1-N 2.78Å; T95-T282 PolarHBondContact OG1-OG1 2.67Å; T95-F383 HydrophobicContact CG2-CD1 4.38Å; T95-F383 HydrophobicContact CG2-CE1 3.94Å; T95-F383 HydrophobicContact CG2-CE2 4.12Å; T95-F383 HydrophobicContact CG2-CZ 3.79Å |
| 96 | G | 90.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -11.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | D94 I192 Y255 D281 | D94-G96 PolarHBondContact O-N 2.83Å; D94-G96 VanDerWaalsContact OD1-CA 3.29Å; D94-G96 WeakPolarHBondContact OD1-CA 3.36Å; D94-G96 PolarHBondContact OD1-N 2.8Å; G96-I192 WeakPolarHBondContact O-CD1 3.16Å; G96-Y255 WeakPolarHBondContact O-CE1 3.39Å; G96-D281 WeakPolarHBondContact CA-OD1 3.11Å; G96-D281 PolarHBondContact N-OD1 3.18Å |
| 97 | S | 90.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.007 | 8% | 0.084 | C | C | . | . | trans | -127.9 | 169.2 | 178.9 | 67.4 | 0 | 0 | 0 | 0 | 112.8 | E66 D94 G186 M187 A188 | E66-S97 WeakPolarHBondContact OE1-CB 3.46Å; E66-S97 VanDerWaalsContact OE2-CB 3.32Å; E66-S97 WeakPolarHBondContact OE2-CB 3.46Å; D94-S97 WeakPolarHBondContact CB-OG 3.29Å; D94-S97 PolarHBondContact O-N 2.79Å; D94-S97 WeakPolarHBondContact OD2-CB 3.31Å; D94-S97 PolarHBondContact OD2-N 3.41Å; D94-S97 PolarHBondContact OD2-OG 2.95Å; S97-G186 CarbonylContact O-C 3.55Å; S97-G186 VanDerWaalsContact O-C 3.3Å; S97-G186 WeakPolarHBondContact O-CA 3.34Å; S97-G186 WeakPolarHBondContact OG-CA 3.33Å; S97-M187 PolarHBondContact O-N 3.19Å; S97-A188 WeakPolarHBondContact O-CB 3.32Å; S97-A188 PolarHBondContact O-N 2.87Å | ||
| 98 | S | 93.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -124 | -17.5 | -176.8 | -75.7 | 0 | 0 | 0 | 0 | 115.7 | Y189 I192 | S98-Y189 PolarHBondContact OG-O 2.72Å; S98-I192 WeakPolarHBondContact OG-CG1 3.5Å | ||
| 99 | N | 94.7 | Very high | 93.8 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | trans | -90.3 | 146.5 | -177.8 | -65.1 | 91.9 | 0 | 0 | 0 | 110.9 | F135 I137 G186 S193 V194 | N99-F135 HydrophobicContact CB-CZ 3.86Å; N99-I137 HydrophobicContact CB-CD1 3.99Å; N99-G186 PolarHBondContact O-N 3.45Å; N99-S193 PolarHBondContact ND2-OG 3.23Å; N99-S193 VanDerWaalsContact ND2-OG 3.11Å; N99-V194 PolarHBondContact ND2-O 2.6Å; N99-V194 PolarHBondContact OD1-N 3.3Å | ||
| 100 | L | 97.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 135.3 | 160.3 | 171.9 | 60.8 | 0 | 0 | 0 | 108.4 | I80 L82 Q163 F165 G166 I184 L185 V200 | I80-L100 HydrophobicContact CD1-CD1 3.71Å; I80-L100 HydrophobicContact CD1-CD2 4.42Å; L82-L100 HydrophobicContact CD2-CD2 4.19Å; L100-Q163 HydrophobicContact CD2-CG 4.15Å; L100-F165 HydrophobicContact CB-CB 3.94Å; L100-F165 HydrophobicContact CD2-CB 3.85Å; L100-F165 HydrophobicContact CD2-CG 4.45Å; L100-F165 HydrophobicContact CG-CB 3.69Å; L100-F165 CarbonylContact O-C 3.58Å; L100-F165 WeakPolarHBondContact O-CA 3.2Å; L100-F165 WeakPolarHBondContact O-CB 3.25Å; L100-G166 PolarHBondContact O-N 3.05Å; L100-I184 WeakPolarHBondContact CA-O 3.45Å; L100-I184 WeakPolarHBondContact CD1-O 3.48Å; L100-L185 HydrophobicContact CD1-CB 3.95Å; L100-L185 HydrophobicContact CD1-CD1 4.27Å; L100-L185 HydrophobicContact CD1-CG 4.08Å; L100-V200 HydrophobicContact CB-CG2 3.96Å; L100-V200 HydrophobicContact CD2-CG2 3.93Å |
| 101 | W | 96 | Very high | 92.1 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 151 | 167.9 | 64.2 | -93 | 0 | 0 | 0 | 111.6 | F135 Y139 L144 G166 A168 F176 G183 I184 | W101-F135 HydrophobicContact CB-CE1 4.41Å; W101-Y139 HydrophobicContact CZ2-CE2 4.29Å; W101-Y139 AromaticContact NE1-CZ 3.8Å; W101-Y139 PolarHBondContact NE1-OH 3Å; W101-L144 HydrophobicContact CB-CD2 4.33Å; W101-L144 HydrophobicContact CD2-CD2 3.14Å; W101-L144 HydrophobicContact CE3-CD2 3.56Å; W101-L144 HydrophobicContact CG-CD2 3.5Å; W101-L144 HydrophobicContact CH2-CD2 4.06Å; W101-L144 HydrophobicContact CZ2-CD2 3.67Å; W101-L144 HydrophobicContact CZ3-CD2 4.02Å; W101-G166 CarbonylContact C-O 3.59Å; W101-G166 WeakPolarHBondContact CA-O 3.32Å; W101-G166 WeakPolarHBondContact CB-O 3.4Å; W101-A168 HydrophobicContact CE3-CB 4.25Å; W101-F176 HydrophobicContact CH2-CD1 4.13Å; W101-F176 AromaticContact CH2-CE1 3.74Å; W101-F176 HydrophobicContact CH2-CE1 3.74Å; W101-F176 HydrophobicContact CH2-CZ 4.43Å; W101-F176 AromaticContact CZ2-CE1 3.92Å; W101-F176 HydrophobicContact CZ2-CE1 3.92Å; W101-F176 HydrophobicContact CZ2-CZ 4.4Å; W101-G183 WeakPolarHBondContact O-CA 3.39Å; W101-I184 HydrophobicContact CH2-CG1 4.43Å; W101-I184 HydrophobicContact CZ2-CB 4.16Å; W101-I184 HydrophobicContact CZ2-CD1 3.55Å; W101-I184 HydrophobicContact CZ2-CG1 3.51Å; W101-I184 PolarHBondContact N-O 2.95Å; W101-I184 PolarHBondContact O-N 3.47Å |
| 102 | V | 96.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 160 | 174.5 | -64.6 | 0 | 0 | 0 | 0 | 110.6 | L82 F89 Y120 F165 G166 A168 | L82-V102 HydrophobicContact CD1-CB 4.35Å; L82-V102 HydrophobicContact CD1-CG1 3.87Å; L82-V102 HydrophobicContact CD1-CG2 3.54Å; F89-V102 HydrophobicContact CB-CG1 4.22Å; F89-V102 HydrophobicContact CD1-CB 3.95Å; F89-V102 HydrophobicContact CD1-CG1 3.89Å; F89-V102 HydrophobicContact CD2-CG1 4.35Å; F89-V102 HydrophobicContact CE1-CB 4.06Å; F89-V102 HydrophobicContact CE1-CG1 4.43Å; F89-V102 HydrophobicContact CE1-CG2 4.28Å; F89-V102 HydrophobicContact CG-CB 4.38Å; F89-V102 HydrophobicContact CG-CG1 3.87Å; F89-V102 HydrophobicContact CZ-CG2 4.39Å; V102-Y120 HydrophobicContact CG2-CG 4.49Å; V102-F165 HydrophobicContact CG2-CD2 4.03Å; V102-F165 HydrophobicContact CG2-CE2 3.82Å; V102-G166 PolarHBondContact N-O 2.83Å; V102-A168 PolarHBondContact O-N 2.78Å |
| 103 | P | 95.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 143.9 | 174.9 | -18.3 | 32.5 | 0 | 0 | 0 | 111.2 | H117 H118 K119 Y120 D182 | P103-H117 HydrophobicContact CG-CB 4.04Å; P103-H118 WeakPolarHBondContact CG-O 3.46Å; P103-K119 HydrophobicContact CB-CG 4.14Å; P103-K119 CarbonylContact O-C 3.52Å; P103-K119 WeakPolarHBondContact O-CA 3.27Å; P103-Y120 PolarHBondContact O-N 2.82Å; P103-D182 WeakPolarHBondContact CD-O 2.95Å; P103-D182 VanDerWaalsContact CG-O 3.32Å; P103-D182 WeakPolarHBondContact CG-O 3.38Å |
| 104 | S | 96.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -102.4 | 149.6 | 178.4 | 179.5 | 0 | 0 | 0 | 0 | 111.8 | H106 C107 C114 Y147 E167 A168 | S104-H106 PolarHBondContact O-N 3.47Å; S104-H106 VanDerWaalsContact O-N 3.12Å; S104-H106 PolarHBondContact OG-CD2 2.97Å; S104-H106 PolarHBondContact OG-N 2.84Å; S104-H106 VanDerWaalsContact OG-N 3.12Å; S104-C107 WeakPolarHBondContact O-CB 3.5Å; S104-C107 PolarHBondContact O-N 2.99Å; S104-C107 PolarHBondContact O-SG 3.49Å; S104-C114 PolarHBondContact O-SG 2.96Å; S104-Y147 PolarHBondContact OG-OH 2.66Å; S104-E167 WeakPolarHBondContact CB-OE2 3.39Å; S104-E167 PolarHBondContact OG-OE2 3.47Å; S104-A168 WeakPolarHBondContact CB-O 3.42Å; S104-A168 PolarHBondContact N-O 2.56Å |
| 105 | V | 95.9 | Very high | 89.2 | Confident | 54 Ų | 54 | 35.6 Ų | 35.6 | 33% | 0.327 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -13.8 | 167.6 | -66.1 | 0 | 0 | 0 | 0 | 113.5 | C107 K119 Y120 N121 | V105-C107 VanDerWaalsContact C-N 3.3Å; V105-K119 HydrophobicContact CG1-CB 3.68Å; V105-Y120 WeakPolarHBondContact CG1-O 3.27Å; V105-Y120 WeakPolarHBondContact CG2-O 3.45Å; V105-Y120 PolarHBondContact N-O 3.23Å; V105-N121 HydrophobicContact CG1-CB 3.77Å; V105-N121 HydrophobicContact CG2-CB 4.13Å |
| 106 | H | 93.8 | Very high | 88.7 | Confident | 110 Ų | 110 | 41 Ų | 41 | 51% | 0.509 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 3.8 | 177.7 | -62.3 | -67.6 | 0 | 0 | 0 | 113.8 | S104 Y147 E167 I169 | S104-H106 PolarHBondContact O-N 3.47Å; S104-H106 VanDerWaalsContact O-N 3.12Å; S104-H106 PolarHBondContact OG-CD2 2.97Å; S104-H106 PolarHBondContact OG-N 2.84Å; S104-H106 VanDerWaalsContact OG-N 3.12Å; H106-Y147 PolarHBondContact CD2-OH 2.86Å; H106-E167 IonicContact CD2-OE2 3.95Å; H106-I169 HydrophobicContact CB-CG2 4.14Å |
| 107 | C | 89.6 | Confident | 88.7 | Confident | 15 Ų | 15 | 42 Ų | 42 | 10% | 0.101 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -65.3 | 154.4 | 173.9 | 68.9 | 0 | 0 | 0 | 0 | 112.5 | S104 V105 C114 I169 | S104-C107 WeakPolarHBondContact O-CB 3.5Å; S104-C107 PolarHBondContact O-N 2.99Å; S104-C107 PolarHBondContact O-SG 3.49Å; V105-C107 VanDerWaalsContact C-N 3.3Å; C107-C114 HydrophobicContact CB-CB 3.6Å; C107-C114 WeakPolarHBondContact CB-SG 3.07Å; C107-C114 WeakPolarHBondContact SG-CB 3.24Å; C107-C114 CovalentContact SG-SG 2.02Å; C107-C114 PolarHBondContact SG-SG 2.77Å; C107-I169 VanDerWaalsContact CA-O 3.32Å; C107-I169 WeakPolarHBondContact CA-O 3.24Å; C107-I169 WeakPolarHBondContact CB-O 3.04Å |
| 108 | S | 85.5 | Confident | 88.9 | Confident | 58 Ų | 58 | 46.9 Ų | 46.9 | 41% | 0.406 | 25% | 0.247 | S | C | . | . | trans | -66 | 145.8 | 179.9 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | L110 D111 | S108-L110 PolarHBondContact O-N 2.91Å; S108-L110 VanDerWaalsContact O-N 3.1Å; S108-L110 PolarHBondContact OG-N 2.88Å; S108-D111 WeakPolarHBondContact O-CB 3.47Å; S108-D111 PolarHBondContact O-N 3.06Å | ||
| 109 | L | 79.3 | Confident | 89 | Confident | 147 Ų | 147 | 49.9 Ų | 49.9 | 77% | 0.77 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -14.5 | 168.8 | -63.4 | 177.2 | 0 | 0 | 0 | 113.2 | D111 L115 | L109-D111 VanDerWaalsContact C-N 3.35Å; L109-L115 HydrophobicContact CD2-CD2 4.39Å; L109-L115 WeakPolarHBondContact O-CD1 3.42Å |
| 110 | L | 80.7 | Confident | 89.2 | Confident | 156 Ų | 156 | 49.7 Ų | 49.7 | 82% | 0.817 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -7.2 | 174 | -57.7 | 178.3 | 0 | 0 | 0 | 112.5 | S108 I112 | S108-L110 PolarHBondContact O-N 2.91Å; S108-L110 VanDerWaalsContact O-N 3.1Å; S108-L110 PolarHBondContact OG-N 2.88Å; L110-I112 PolarHBondContact O-N 2.98Å |
| 111 | D | 79.9 | Confident | 89.2 | Confident | 18 Ų | 18 | 51.3 Ų | 51.3 | 10% | 0.096 | 27% | 0.267 | C | S | . | . | trans | -88.1 | 89.1 | 176.4 | -165.1 | -36 | 0 | 0 | 0 | 110.6 | S108 L109 A113 C114 L115 K170 Q171 | S108-D111 WeakPolarHBondContact O-CB 3.47Å; S108-D111 PolarHBondContact O-N 3.06Å; L109-D111 VanDerWaalsContact C-N 3.35Å; D111-A113 VanDerWaalsContact C-N 3.26Å; D111-A113 PolarHBondContact O-N 3.01Å; D111-A113 PolarHBondContact OD1-N 3.3Å; D111-C114 HydrophobicContact CB-CB 4.04Å; D111-C114 PolarHBondContact O-N 2.89Å; D111-C114 PolarHBondContact OD1-N 2.92Å; D111-L115 WeakPolarHBondContact O-CG 3.2Å; D111-L115 PolarHBondContact O-N 3.31Å; D111-L115 VanDerWaalsContact O-N 3.11Å; D111-K170 VanDerWaalsContact OD2-CA 3.27Å; D111-K170 WeakPolarHBondContact OD2-CA 3.49Å; D111-Q171 PolarHBondContact OD2-N 3.37Å | ||
| 112 | I | 79.3 | Confident | 89.3 | Confident | 101 Ų | 101 | 51.8 Ų | 51.8 | 52% | 0.518 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.3 | -37.2 | -178 | -61.3 | 170.4 | 0 | 0 | 0 | 111.3 | L110 C114 L115 L116 I177 | L110-I112 PolarHBondContact O-N 2.98Å; I112-C114 PolarHBondContact O-N 2.82Å; I112-L115 PolarHBondContact O-N 3.41Å; I112-L116 HydrophobicContact CG2-CD1 3.98Å; I112-L116 HydrophobicContact CG2-CG 4.4Å; I112-L116 WeakPolarHBondContact O-CG 3.49Å; I112-L116 PolarHBondContact O-N 3.15Å; I112-I177 HydrophobicContact CB-CD1 4.24Å; I112-I177 HydrophobicContact CG2-CD1 4.32Å; I112-I177 HydrophobicContact CG2-CG2 4.45Å |
| 113 | A | 78.4 | Confident | 89.4 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.008 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.1 | -48.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | D111 L115 L116 H117 Q171 F176 I177 | D111-A113 VanDerWaalsContact C-N 3.26Å; D111-A113 PolarHBondContact O-N 3.01Å; D111-A113 PolarHBondContact OD1-N 3.3Å; A113-L115 VanDerWaalsContact C-N 3.31Å; A113-L115 PolarHBondContact O-N 2.97Å; A113-L116 PolarHBondContact O-N 3.17Å; A113-H117 PolarHBondContact O-ND1 2.85Å; A113-Q171 HydrophobicContact CB-CB 4.26Å; A113-F176 HydrophobicContact CB-CB 3.77Å; A113-I177 HydrophobicContact CB-CG1 3.8Å |
| 114 | C | 81.6 | Confident | 89.5 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.2 | -34.7 | 177.6 | -175.3 | 0 | 0 | 0 | 0 | 113.4 | S104 C107 D111 I112 L116 H117 K119 | S104-C114 PolarHBondContact O-SG 2.96Å; C107-C114 HydrophobicContact CB-CB 3.6Å; C107-C114 WeakPolarHBondContact CB-SG 3.07Å; C107-C114 WeakPolarHBondContact SG-CB 3.24Å; C107-C114 CovalentContact SG-SG 2.02Å; C107-C114 PolarHBondContact SG-SG 2.77Å; D111-C114 HydrophobicContact CB-CB 4.04Å; D111-C114 PolarHBondContact O-N 2.89Å; D111-C114 PolarHBondContact OD1-N 2.92Å; I112-C114 PolarHBondContact O-N 2.82Å; C114-L116 VanDerWaalsContact C-N 3.32Å; C114-L116 PolarHBondContact O-N 3.35Å; C114-H117 PolarHBondContact O-N 2.88Å; C114-K119 PolarHBondContact O-NZ 2.8Å |
| 115 | L | 82.6 | Confident | 89.6 | Confident | 80 Ų | 80 | 63.7 Ų | 63.7 | 42% | 0.419 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.5 | -32.4 | 179.9 | -70.5 | 179.6 | 0 | 0 | 0 | 113.1 | L109 D111 I112 A113 H117 K119 | L109-L115 HydrophobicContact CD2-CD2 4.39Å; L109-L115 WeakPolarHBondContact O-CD1 3.42Å; D111-L115 WeakPolarHBondContact O-CG 3.2Å; D111-L115 PolarHBondContact O-N 3.31Å; D111-L115 VanDerWaalsContact O-N 3.11Å; I112-L115 PolarHBondContact O-N 3.41Å; A113-L115 VanDerWaalsContact C-N 3.31Å; A113-L115 PolarHBondContact O-N 2.97Å; L115-H117 VanDerWaalsContact C-N 3.35Å; L115-K119 PolarHBondContact O-NZ 3.01Å |
| 116 | L | 85.1 | Confident | 89.8 | Confident | 115 Ų | 115 | 66.7 Ų | 66.7 | 60% | 0.602 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -79.8 | -14.2 | -179 | -66.8 | 173.1 | 0 | 0 | 0 | 114.2 | I112 A113 C114 I177 | I112-L116 HydrophobicContact CG2-CD1 3.98Å; I112-L116 HydrophobicContact CG2-CG 4.4Å; I112-L116 WeakPolarHBondContact O-CG 3.49Å; I112-L116 PolarHBondContact O-N 3.15Å; A113-L116 PolarHBondContact O-N 3.17Å; C114-L116 VanDerWaalsContact C-N 3.32Å; C114-L116 PolarHBondContact O-N 3.35Å; L116-I177 HydrophobicContact CD1-CG2 3.97Å |
| 117 | H | 89.5 | Confident | 90 | Very high | 19 Ų | 19 | 64 Ų | 64 | 9% | 0.088 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -109.1 | 162.8 | -175.5 | -68.4 | 87.2 | 0 | 0 | 0 | 112.6 | P103 A113 C114 L115 K119 F176 A179 F181 D182 | P103-H117 HydrophobicContact CG-CB 4.04Å; A113-H117 PolarHBondContact O-ND1 2.85Å; C114-H117 PolarHBondContact O-N 2.88Å; L115-H117 VanDerWaalsContact C-N 3.35Å; H117-K119 PolarHBondContact O-NZ 2.94Å; H117-F176 PolarHBondContact CE1-O 2.77Å; H117-A179 PolarHBondContact NE2-O 3.4Å; H117-F181 PolarHBondContact CD2-O 2.7Å; H117-F181 PolarHBondContact NE2-O 3.11Å; H117-D182 HydrophobicContact CB-CB 4.49Å; H117-D182 WeakPolarHBondContact CB-OD1 3.19Å; H117-D182 IonicContact CD2-OD1 3.5Å; H117-D182 IonicContact CG-OD1 3.83Å |
| 118 | H | 95.3 | Very high | 90.4 | Very high | 105 Ų | 105 | 66.1 Ų | 66.1 | 49% | 0.486 | 36% | 0.358 | S | S | . | . | trans | -61 | 144.2 | 168.5 | -60.7 | 115.4 | 0 | 0 | 0 | 109.9 | F89 P103 D182 | F89-H118 HydrophobicContact CD1-CB 3.92Å; F89-H118 HydrophobicContact CE1-CB 3.9Å; P103-H118 WeakPolarHBondContact CG-O 3.46Å; H118-D182 IonicContact CE1-OD2 3.96Å; H118-D182 IonicContact CG-OD1 3.7Å; H118-D182 IonicContact CG-OD2 3.68Å; H118-D182 PolarHBondContact N-OD1 3.01Å; H118-D182 IonicContact ND1-OD1 3.3Å; H118-D182 PolarHBondContact ND1-OD1 3.45Å; H118-D182 IonicContact ND1-OD2 2.88Å; H118-D182 PolarHBondContact ND1-OD2 2.97Å | ||
| 119 | K | 96.1 | Very high | 91.1 | Very high | 62 Ų | 62 | 66.8 Ų | 66.8 | 27% | 0.27 | 36% | 0.359 | S | S | . | . | trans | -126.6 | 129.3 | -174.2 | -76.2 | 170.1 | -77.1 | -65.7 | 0 | 110 | P103 V105 C114 L115 H117 | P103-K119 HydrophobicContact CB-CG 4.14Å; P103-K119 CarbonylContact O-C 3.52Å; P103-K119 WeakPolarHBondContact O-CA 3.27Å; V105-K119 HydrophobicContact CG1-CB 3.68Å; C114-K119 PolarHBondContact O-NZ 2.8Å; L115-K119 PolarHBondContact O-NZ 3.01Å; H117-K119 PolarHBondContact O-NZ 2.94Å | ||
| 120 | Y | 98.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -71.2 | 129.1 | 174.1 | 175.7 | -100.1 | 0 | 0 | 0 | 110.7 | L82 F89 V102 P103 V105 Y128 D151 F165 E167 | L82-Y120 HydrophobicContact CB-CD2 3.81Å; L82-Y120 HydrophobicContact CB-CE2 3.92Å; L82-Y120 HydrophobicContact CD1-CD2 4.41Å; F89-Y120 HydrophobicContact CE2-CD2 4.43Å; F89-Y120 HydrophobicContact CZ-CD2 4.47Å; V102-Y120 HydrophobicContact CG2-CG 4.49Å; P103-Y120 PolarHBondContact O-N 2.82Å; V105-Y120 WeakPolarHBondContact CG1-O 3.27Å; V105-Y120 WeakPolarHBondContact CG2-O 3.45Å; V105-Y120 PolarHBondContact N-O 3.23Å; Y120-Y128 VanDerWaalsContact OH-CD2 3.3Å; Y120-Y128 WeakPolarHBondContact OH-CD2 3.27Å; Y120-D151 WeakPolarHBondContact CE2-OD2 3.08Å; Y120-D151 PolarHBondContact OH-OD2 2.64Å; Y120-F165 HydrophobicContact CD1-CE2 4.03Å; Y120-F165 AromaticContact CD1-CZ 3.9Å; Y120-F165 HydrophobicContact CD1-CZ 3.9Å; Y120-F165 HydrophobicContact CD2-CZ 4.21Å; Y120-F165 HydrophobicContact CE1-CE2 4.24Å; Y120-F165 AromaticContact CE1-CZ 3.66Å; Y120-F165 HydrophobicContact CE1-CZ 3.66Å; Y120-F165 HydrophobicContact CE2-CZ 4.01Å; Y120-F165 HydrophobicContact CG-CE2 4.19Å; Y120-F165 HydrophobicContact CG-CZ 4.16Å; Y120-F165 AromaticContact CZ-CZ 3.72Å; Y120-E167 VanDerWaalsContact CD1-CD 3.5Å; Y120-E167 HydrophobicContact CD1-CG 3.75Å; Y120-E167 HydrophobicContact CE1-CG 4.26Å; Y120-E167 WeakPolarHBondContact CE1-OE1 3.39Å |
| 121 | N | 98.4 | Very high | 92.7 | Very high | 35 Ų | 35 | 63.3 Ų | 63.3 | 19% | 0.187 | 33% | 0.334 | C | S | . | . | trans | -117.4 | 99.1 | 177.4 | -170.5 | -26.3 | 0 | 0 | 0 | 109.7 | Q87 V105 A123 K124 | Q87-N121 PolarHBondContact NE2-O 3.38Å; V105-N121 HydrophobicContact CG1-CB 3.77Å; V105-N121 HydrophobicContact CG2-CB 4.13Å; N121-A123 PolarHBondContact O-N 2.87Å; N121-A123 WeakPolarHBondContact OD1-CB 3.31Å; N121-A123 PolarHBondContact OD1-N 2.78Å; N121-A123 VanDerWaalsContact OD1-N 3.11Å; N121-K124 HydrophobicContact CB-CB 4.36Å; N121-K124 HydrophobicContact CB-CD 4.22Å; N121-K124 HydrophobicContact CB-CG 4.24Å; N121-K124 PolarHBondContact O-N 3.01Å; N121-K124 VanDerWaalsContact O-N 3.1Å | ||
| 122 | S | 98 | Very high | 93.5 | Very high | 12 Ų | 12 | 64.3 Ų | 64.3 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -58.7 | -34.5 | 178.5 | 53.8 | 0 | 0 | 0 | 0 | 113 | K124 S125 | S122-K124 PolarHBondContact O-N 3.01Å; S122-K124 VanDerWaalsContact O-N 3.13Å; S122-S125 PolarHBondContact O-N 3.13Å; S122-S125 VanDerWaalsContact O-N 3.09Å |
| 123 | A | 98.3 | Very high | 94.3 | Very high | 94 Ų | 94 | 63 Ų | 63 | 78% | 0.777 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -67.5 | -13 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N121 | N121-A123 PolarHBondContact O-N 2.87Å; N121-A123 WeakPolarHBondContact OD1-CB 3.31Å; N121-A123 PolarHBondContact OD1-N 2.78Å; N121-A123 VanDerWaalsContact OD1-N 3.11Å |
| 124 | K | 98.3 | Very high | 94.9 | Very high | 142 Ų | 142 | 66.8 Ų | 66.8 | 62% | 0.617 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -98 | -1.2 | 175.6 | -68.5 | -173.6 | 177.9 | -176.2 | 0 | 113.6 | N121 S122 | N121-K124 HydrophobicContact CB-CB 4.36Å; N121-K124 HydrophobicContact CB-CD 4.22Å; N121-K124 HydrophobicContact CB-CG 4.24Å; N121-K124 PolarHBondContact O-N 3.01Å; N121-K124 VanDerWaalsContact O-N 3.1Å; S122-K124 PolarHBondContact O-N 3.01Å; S122-K124 VanDerWaalsContact O-N 3.13Å |
| 125 | S | 98.6 | Very high | 95.3 | Very high | 14 Ų | 14 | 67 Ų | 67 | 10% | 0.098 | 38% | 0.378 | C | S | . | . | trans | -107.7 | 126.2 | -179.1 | -177.3 | 0 | 0 | 0 | 0 | 111.4 | G83 T84 S122 T127 Y128 D151 | G83-S125 WeakPolarHBondContact CA-OG 3.46Å; T84-S125 PolarHBondContact N-OG 2.94Å; T84-S125 CarbonylContact O-C 3.39Å; T84-S125 WeakPolarHBondContact O-CA 3.42Å; S122-S125 PolarHBondContact O-N 3.13Å; S122-S125 VanDerWaalsContact O-N 3.09Å; S125-T127 VanDerWaalsContact C-N 3.31Å; S125-T127 PolarHBondContact OG-N 3.06Å; S125-T127 PolarHBondContact OG-OG1 2.85Å; S125-Y128 PolarHBondContact OG-N 2.84Å; S125-D151 WeakPolarHBondContact CB-OD2 2.71Å; S125-D151 VanDerWaalsContact OG-CG 3.3Å; S125-D151 PolarHBondContact OG-OD1 3.03Å; S125-D151 PolarHBondContact OG-OD2 2.88Å | ||
| 126 | T | 98.6 | Very high | 95.4 | Very high | 117 Ų | 117 | 66 Ų | 66 | 72% | 0.718 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -78.9 | -15.4 | 175.6 | 57.9 | 0 | 0 | 0 | 0 | 113.3 | T84 | T84-T126 WeakPolarHBondContact CB-OG1 3.41Å; T84-T126 WeakPolarHBondContact CG2-OG1 3.47Å; T84-T126 PolarHBondContact O-N 3.13Å; T84-T126 PolarHBondContact O-OG1 2.83Å |
| 127 | T | 98.7 | Very high | 95.2 | Very high | 52 Ų | 52 | 60.8 Ų | 60.8 | 32% | 0.319 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -101 | -1.8 | 179.6 | 37.8 | 0 | 0 | 0 | 0 | 113.1 | T84 S125 D151 | T84-T127 WeakPolarHBondContact CB-OG1 3.49Å; T84-T127 PolarHBondContact N-OG1 2.95Å; T84-T127 PolarHBondContact OG1-OG1 2.84Å; S125-T127 VanDerWaalsContact C-N 3.31Å; S125-T127 PolarHBondContact OG-N 3.06Å; S125-T127 PolarHBondContact OG-OG1 2.85Å; T127-D151 WeakPolarHBondContact CB-OD1 3.43Å; T127-D151 PolarHBondContact OG1-OD1 3.41Å |
| 128 | Y | 98.8 | Very high | 94.4 | Very high | 61 Ų | 61 | 64.6 Ų | 64.6 | 24% | 0.239 | 37% | 0.372 | C | S | . | . | trans | -62.6 | 133.7 | 175.9 | 168.4 | -111.1 | 0 | 0 | 0 | 112.3 | Y120 S125 K130 D151 | Y120-Y128 VanDerWaalsContact OH-CD2 3.3Å; Y120-Y128 WeakPolarHBondContact OH-CD2 3.27Å; S125-Y128 PolarHBondContact OG-N 2.84Å; Y128-K130 HydrophobicContact CE1-CB 4.05Å; Y128-K130 WeakPolarHBondContact OH-CA 3.3Å; Y128-K130 WeakPolarHBondContact OH-CB 3.38Å; Y128-D151 PolarHBondContact N-OD1 3.2Å | ||
| 129 | V | 98.6 | Very high | 93 | Very high | 71 Ų | 71 | 59.8 Ų | 59.8 | 43% | 0.43 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 124.1 | 169.2 | -179.5 | 0 | 0 | 0 | 0 | 109 | N131 Q150 | V129-N131 PolarHBondContact O-N 2.94Å; V129-Q150 HydrophobicContact CB-CB 4.08Å; V129-Q150 HydrophobicContact CB-CG 4.39Å; V129-Q150 PolarHBondContact N-O 3.26Å; V129-Q150 WeakPolarHBondContact O-CB 3.39Å; V129-Q150 PolarHBondContact O-N 2.83Å; V129-Q150 VanDerWaalsContact O-N 3.09Å |
| 130 | K | 98 | Very high | 91.3 | Very high | 168 Ų | 168 | 57.6 Ų | 57.6 | 73% | 0.73 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 130.9 | 179 | -176.6 | 177 | -179.1 | 179.7 | 0 | 111 | Y128 | Y128-K130 HydrophobicContact CE1-CB 4.05Å; Y128-K130 WeakPolarHBondContact OH-CA 3.3Å; Y128-K130 WeakPolarHBondContact OH-CB 3.38Å |
| 131 | N | 97.5 | Very high | 89.3 | Confident | 62 Ų | 62 | 58.2 Ų | 58.2 | 33% | 0.332 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | -62.2 | 168.3 | 179.4 | -54.4 | 0 | 0 | 0 | 110.4 | V129 T133 L148 L164 | V129-N131 PolarHBondContact O-N 2.94Å; N131-T133 VanDerWaalsContact C-N 3.3Å; N131-T133 PolarHBondContact O-N 3.04Å; N131-T133 VanDerWaalsContact OD1-CB 3.22Å; N131-T133 WeakPolarHBondContact OD1-CB 3.26Å; N131-T133 PolarHBondContact OD1-N 3.22Å; N131-T133 PolarHBondContact OD1-OG1 3.08Å; N131-L148 HydrophobicContact CB-CB 4.29Å; N131-L148 WeakPolarHBondContact CB-O 2.99Å; N131-L164 HydrophobicContact CB-CD2 4.3Å |
| 132 | G | 95.6 | Very high | 87.7 | Confident | 39 Ų | 39 | 57 Ų | 57 | 40% | 0.402 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 79.3 | 2.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | A134 L148 | G132-A134 PolarHBondContact O-N 3.5Å; G132-L148 PolarHBondContact N-O 3.43Å |
| 133 | T | 95.7 | Very high | 86.5 | Confident | 75 Ų | 75 | 57.8 Ų | 57.8 | 46% | 0.46 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 132 | 172.4 | -56.5 | 0 | 0 | 0 | 0 | 109.6 | N131 F135 Y147 L148 | N131-T133 VanDerWaalsContact C-N 3.3Å; N131-T133 PolarHBondContact O-N 3.04Å; N131-T133 VanDerWaalsContact OD1-CB 3.22Å; N131-T133 WeakPolarHBondContact OD1-CB 3.26Å; N131-T133 PolarHBondContact OD1-N 3.22Å; N131-T133 PolarHBondContact OD1-OG1 3.08Å; T133-F135 PolarHBondContact O-N 3.01Å; T133-Y147 CarbonylContact O-C 3.6Å; T133-Y147 WeakPolarHBondContact O-CA 3.47Å; T133-Y147 WeakPolarHBondContact O-CB 3.29Å; T133-L148 PolarHBondContact O-N 3.35Å |
| 134 | A | 92 | Very high | 85.9 | Confident | 79 Ų | 79 | 53.4 Ų | 53.4 | 65% | 0.653 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 137.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | G132 | G132-A134 PolarHBondContact O-N 3.5Å |
| 135 | F | 88.6 | Confident | 85.4 | Confident | 5 Ų | 5 | 48.5 Ų | 48.5 | 2% | 0.022 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 136.2 | -175.3 | -178.6 | -108.4 | 0 | 0 | 0 | 109.8 | N99 W101 T133 I137 L144 S145 G146 L148 V194 | N99-F135 HydrophobicContact CB-CZ 3.86Å; W101-F135 HydrophobicContact CB-CE1 4.41Å; T133-F135 PolarHBondContact O-N 3.01Å; F135-I137 HydrophobicContact CE1-CD1 3.65Å; F135-I137 HydrophobicContact CE1-CG1 3.78Å; F135-I137 HydrophobicContact CE2-CG1 4.39Å; F135-I137 HydrophobicContact CZ-CD1 3.45Å; F135-I137 VanDerWaalsContact CZ-CD1 3.45Å; F135-I137 HydrophobicContact CZ-CG1 3.64Å; F135-L144 HydrophobicContact CD1-CD1 3.98Å; F135-L144 HydrophobicContact CE1-CD1 3.91Å; F135-S145 CarbonylContact O-C 3.57Å; F135-S145 WeakPolarHBondContact O-CA 3.44Å; F135-G146 PolarHBondContact N-O 3.4Å; F135-G146 CarbonylContact O-C 3.56Å; F135-G146 PolarHBondContact O-N 3.16Å; F135-L148 HydrophobicContact CB-CD2 4.03Å; F135-L148 HydrophobicContact CB-CG 4.16Å; F135-L148 HydrophobicContact CD2-CD2 3.51Å; F135-L148 HydrophobicContact CD2-CG 4.23Å; F135-L148 HydrophobicContact CE2-CD2 3.98Å; F135-L148 HydrophobicContact CG-CD2 3.78Å; F135-L148 HydrophobicContact CG-CG 4.42Å; F135-V194 HydrophobicContact CD2-CG1 4.11Å; F135-V194 HydrophobicContact CE2-CB 3.85Å; F135-V194 HydrophobicContact CE2-CG1 3.82Å |
| 136 | A | 86.1 | Confident | 85.1 | Confident | 59 Ų | 59 | 48.4 Ų | 48.4 | 49% | 0.488 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 136.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L144 | A136-L144 VanDerWaalsContact CA-O 3.32Å; A136-L144 WeakPolarHBondContact CA-O 3.47Å |
| 137 | I | 80.2 | Confident | 85 | Confident | 5 Ų | 5 | 45 Ų | 45 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 126 | 171.4 | -54.5 | 171.3 | 0 | 0 | 0 | 108 | N99 F135 Y139 S143 L144 V194 | N99-I137 HydrophobicContact CB-CD1 3.99Å; F135-I137 HydrophobicContact CE1-CD1 3.65Å; F135-I137 HydrophobicContact CE1-CG1 3.78Å; F135-I137 HydrophobicContact CE2-CG1 4.39Å; F135-I137 HydrophobicContact CZ-CD1 3.45Å; F135-I137 VanDerWaalsContact CZ-CD1 3.45Å; F135-I137 HydrophobicContact CZ-CG1 3.64Å; I137-Y139 HydrophobicContact CB-CE1 4.33Å; I137-Y139 HydrophobicContact CB-CE2 4.14Å; I137-Y139 VanDerWaalsContact CD1-OH 3.28Å; I137-Y139 WeakPolarHBondContact CD1-OH 3.24Å; I137-Y139 HydrophobicContact CG2-CD1 3.91Å; I137-Y139 HydrophobicContact CG2-CD2 4.43Å; I137-Y139 HydrophobicContact CG2-CE1 3.34Å; I137-Y139 HydrophobicContact CG2-CE2 3.95Å; I137-Y139 HydrophobicContact CG2-CG 4.44Å; I137-S143 CarbonylContact O-C 3.51Å; I137-S143 WeakPolarHBondContact O-CA 3.49Å; I137-S143 WeakPolarHBondContact O-CB 3.4Å; I137-L144 HydrophobicContact CB-CD1 4.32Å; I137-L144 HydrophobicContact CB-CG 4.19Å; I137-L144 HydrophobicContact CG1-CD1 4.35Å; I137-L144 PolarHBondContact N-O 3.16Å; I137-L144 PolarHBondContact O-N 3.38Å; I137-V194 HydrophobicContact CG1-CG2 4.2Å |
| 138 | Q | 72.1 | Confident | 85 | Confident | 100 Ų | 100 | 42.9 Ų | 42.9 | 47% | 0.467 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 120.4 | 169.2 | -179.8 | 65.9 | 48.7 | 0 | 0 | 108 | K69 G142 | K69-Q138 WeakPolarHBondContact CD-O 3.38Å; K69-Q138 WeakPolarHBondContact CE-O 3.2Å; K69-Q138 PolarHBondContact NZ-O 2.81Å; Q138-G142 PolarHBondContact NE2-O 3.34Å; Q138-G142 VanDerWaalsContact NE2-O 3.11Å |
| 139 | Y | 66.6 | Low | 85 | Confident | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | trans | -95.3 | 175.5 | 166.8 | -56.2 | -66.5 | 0 | 0 | 0 | 110.6 | K69 Y71 W101 I137 G142 L144 F176 | K69-Y139 WeakPolarHBondContact O-CB 3.28Å; Y71-Y139 HydrophobicContact CD2-CD1 4.2Å; Y71-Y139 HydrophobicContact CD2-CG 4.32Å; Y71-Y139 AromaticContact CE2-CD1 3.34Å; Y71-Y139 HydrophobicContact CE2-CD1 3.34Å; Y71-Y139 HydrophobicContact CE2-CD2 4.38Å; Y71-Y139 AromaticContact CE2-CE1 3.38Å; Y71-Y139 HydrophobicContact CE2-CE1 3.38Å; Y71-Y139 HydrophobicContact CE2-CE2 4.4Å; Y71-Y139 AromaticContact CE2-CG 3.85Å; Y71-Y139 HydrophobicContact CE2-CG 3.85Å; Y71-Y139 AromaticContact CE2-CZ 3.93Å; Y71-Y139 AromaticContact CZ-CE1 3.92Å; W101-Y139 HydrophobicContact CZ2-CE2 4.29Å; W101-Y139 AromaticContact NE1-CZ 3.8Å; W101-Y139 PolarHBondContact NE1-OH 3Å; I137-Y139 HydrophobicContact CB-CE1 4.33Å; I137-Y139 HydrophobicContact CB-CE2 4.14Å; I137-Y139 VanDerWaalsContact CD1-OH 3.28Å; I137-Y139 WeakPolarHBondContact CD1-OH 3.24Å; I137-Y139 HydrophobicContact CG2-CD1 3.91Å; I137-Y139 HydrophobicContact CG2-CD2 4.43Å; I137-Y139 HydrophobicContact CG2-CE1 3.34Å; I137-Y139 HydrophobicContact CG2-CE2 3.95Å; I137-Y139 HydrophobicContact CG2-CG 4.44Å; Y139-G142 CarbonylContact C-O 3.4Å; Y139-G142 WeakPolarHBondContact CA-O 3.07Å; Y139-G142 VanDerWaalsContact CB-O 3.3Å; Y139-G142 WeakPolarHBondContact CB-O 3.47Å; Y139-G142 PolarHBondContact N-O 2.77Å; Y139-L144 HydrophobicContact CE2-CD2 3.81Å; Y139-L144 HydrophobicContact CE2-CG 4.18Å; Y139-F176 HydrophobicContact CD2-CE2 4.33Å; Y139-F176 AromaticContact CD2-CZ 3.65Å; Y139-F176 HydrophobicContact CD2-CZ 3.65Å; Y139-F176 AromaticContact CE2-CZ 3.93Å; Y139-F176 HydrophobicContact CE2-CZ 3.93Å | ||
| 140 | G | 59.8 | Low | 85 | Confident | 16 Ų | 16 | 38.8 Ų | 38.8 | 17% | 0.165 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -67.5 | -59.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | S50 K69 G142 | S50-G140 WeakPolarHBondContact CB-O 3.35Å; S50-G140 PolarHBondContact OG-O 3.06Å; K69-G140 WeakPolarHBondContact O-CA 3.44Å; K69-G140 PolarHBondContact O-N 3.32Å; G140-G142 PolarHBondContact O-N 3Å |
| 141 | S | 56.6 | Low | 85 | Confident | 14 Ų | 14 | 30.8 Ų | 30.8 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -87.7 | 11.3 | -176.6 | 66.1 | 0 | 0 | 0 | 0 | 117.1 | D47 | D47-S141 VanDerWaalsContact CG-CA 3.48Å; D47-S141 WeakPolarHBondContact OD1-CA 3.09Å; D47-S141 WeakPolarHBondContact OD2-CA 3.35Å; D47-S141 WeakPolarHBondContact OD2-CB 3.25Å; D47-S141 PolarHBondContact OD2-N 2.93Å |
| 142 | G | 64.4 | Low | 85.1 | Confident | 10 Ų | 10 | 28.8 Ų | 28.8 | 10% | 0.103 | 19% | 0.192 | C | C | . | . | trans | 175.3 | -176.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q138 Y139 G140 | Q138-G142 PolarHBondContact NE2-O 3.34Å; Q138-G142 VanDerWaalsContact NE2-O 3.11Å; Y139-G142 CarbonylContact C-O 3.4Å; Y139-G142 WeakPolarHBondContact CA-O 3.07Å; Y139-G142 VanDerWaalsContact CB-O 3.3Å; Y139-G142 WeakPolarHBondContact CB-O 3.47Å; Y139-G142 PolarHBondContact N-O 2.77Å; G140-G142 PolarHBondContact O-N 3Å | ||
| 143 | S | 74.5 | Confident | 85.2 | Confident | 27 Ų | 27 | 26.9 Ų | 26.9 | 19% | 0.189 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 163.3 | 167.8 | 58.3 | 0 | 0 | 0 | 0 | 109.2 | I137 P172 | I137-S143 CarbonylContact O-C 3.51Å; I137-S143 WeakPolarHBondContact O-CA 3.49Å; I137-S143 WeakPolarHBondContact O-CB 3.4Å; S143-P172 PolarHBondContact N-O 3.28Å; S143-P172 VanDerWaalsContact O-CD 3.24Å; S143-P172 WeakPolarHBondContact O-CD 3.09Å; S143-P172 VanDerWaalsContact OG-CG 3.3Å; S143-P172 WeakPolarHBondContact OG-CG 3.34Å |
| 144 | L | 84 | Confident | 85.3 | Confident | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 152.1 | 165.6 | 67.9 | 83.9 | 0 | 0 | 0 | 110.4 | W101 F135 A136 I137 Y139 A168 K170 Q171 | W101-L144 HydrophobicContact CB-CD2 4.33Å; W101-L144 HydrophobicContact CD2-CD2 3.14Å; W101-L144 HydrophobicContact CE3-CD2 3.56Å; W101-L144 HydrophobicContact CG-CD2 3.5Å; W101-L144 HydrophobicContact CH2-CD2 4.06Å; W101-L144 HydrophobicContact CZ2-CD2 3.67Å; W101-L144 HydrophobicContact CZ3-CD2 4.02Å; F135-L144 HydrophobicContact CD1-CD1 3.98Å; F135-L144 HydrophobicContact CE1-CD1 3.91Å; A136-L144 VanDerWaalsContact CA-O 3.32Å; A136-L144 WeakPolarHBondContact CA-O 3.47Å; I137-L144 HydrophobicContact CB-CD1 4.32Å; I137-L144 HydrophobicContact CB-CG 4.19Å; I137-L144 HydrophobicContact CG1-CD1 4.35Å; I137-L144 PolarHBondContact N-O 3.16Å; I137-L144 PolarHBondContact O-N 3.38Å; Y139-L144 HydrophobicContact CE2-CD2 3.81Å; Y139-L144 HydrophobicContact CE2-CG 4.18Å; L144-A168 HydrophobicContact CB-CB 4.32Å; L144-A168 HydrophobicContact CD1-CB 4.49Å; L144-K170 CarbonylContact C-O 3.53Å; L144-K170 VanDerWaalsContact CA-O 3.22Å; L144-K170 WeakPolarHBondContact CA-O 3.48Å; L144-Q171 HydrophobicContact CB-CG 4.35Å |
| 145 | S | 88.9 | Confident | 85.6 | Confident | 40 Ų | 40 | 21.3 Ų | 21.3 | 28% | 0.28 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 154.6 | 167.5 | 56.7 | 0 | 0 | 0 | 0 | 110.7 | F135 I169 K170 | F135-S145 CarbonylContact O-C 3.57Å; F135-S145 WeakPolarHBondContact O-CA 3.44Å; S145-I169 WeakPolarHBondContact O-CG1 3.34Å; S145-I169 PolarHBondContact O-N 2.85Å; S145-K170 PolarHBondContact N-O 2.83Å; S145-K170 PolarHBondContact O-N 2.79Å; S145-K170 VanDerWaalsContact O-N 3.07Å |
| 146 | G | 92.7 | Very high | 85.8 | Confident | 11 Ų | 11 | 23.4 Ų | 23.4 | 11% | 0.113 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.1 | -134.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111 | F135 E167 | F135-G146 PolarHBondContact N-O 3.4Å; F135-G146 CarbonylContact O-C 3.56Å; F135-G146 PolarHBondContact O-N 3.16Å; G146-E167 VanDerWaalsContact CA-O 3.31Å; G146-E167 WeakPolarHBondContact CA-O 3.02Å |
| 147 | Y | 95.9 | Very high | 86.1 | Confident | 46 Ų | 46 | 26.4 Ų | 26.4 | 18% | 0.18 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 160.8 | -177.7 | 52.5 | -97.5 | 0 | 0 | 0 | 111.7 | S104 H106 T133 E167 I169 | S104-Y147 PolarHBondContact OG-OH 2.66Å; H106-Y147 PolarHBondContact CD2-OH 2.86Å; T133-Y147 CarbonylContact O-C 3.6Å; T133-Y147 WeakPolarHBondContact O-CA 3.47Å; T133-Y147 WeakPolarHBondContact O-CB 3.29Å; Y147-E167 HydrophobicContact CD2-CB 4.06Å; Y147-E167 HydrophobicContact CE2-CB 3.64Å; Y147-E167 VanDerWaalsContact CE2-CD 3.46Å; Y147-E167 HydrophobicContact CE2-CG 4.09Å; Y147-E167 PolarHBondContact N-O 3.4Å; Y147-E167 PolarHBondContact O-N 3.49Å; Y147-E167 PolarHBondContact OH-OE2 2.88Å; Y147-I169 HydrophobicContact CD1-CG2 4.28Å; Y147-I169 HydrophobicContact CE1-CG2 3.67Å |
| 148 | L | 97.9 | Very high | 86.9 | Confident | 8 Ų | 8 | 26.5 Ų | 26.5 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 143.8 | 174.7 | -64.1 | -178.8 | 0 | 0 | 0 | 111.4 | N131 G132 T133 F135 F165 V197 | N131-L148 HydrophobicContact CB-CB 4.29Å; N131-L148 WeakPolarHBondContact CB-O 2.99Å; G132-L148 PolarHBondContact N-O 3.43Å; T133-L148 PolarHBondContact O-N 3.35Å; F135-L148 HydrophobicContact CB-CD2 4.03Å; F135-L148 HydrophobicContact CB-CG 4.16Å; F135-L148 HydrophobicContact CD2-CD2 3.51Å; F135-L148 HydrophobicContact CD2-CG 4.23Å; F135-L148 HydrophobicContact CE2-CD2 3.98Å; F135-L148 HydrophobicContact CG-CD2 3.78Å; F135-L148 HydrophobicContact CG-CG 4.42Å; L148-F165 WeakPolarHBondContact CA-O 3.36Å; L148-V197 HydrophobicContact CD1-CG2 3.72Å; L148-V197 HydrophobicContact CD2-CG2 3.86Å; L148-V197 HydrophobicContact CG-CG2 4.47Å |
| 149 | S | 98.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 154.7 | 171.9 | -80.2 | 0 | 0 | 0 | 0 | 109.8 | L164 F165 E167 | S149-L164 CarbonylContact O-C 3.54Å; S149-L164 WeakPolarHBondContact O-CA 3.26Å; S149-F165 PolarHBondContact N-O 3.06Å; S149-F165 WeakPolarHBondContact O-CD1 2.96Å; S149-F165 PolarHBondContact O-N 3.01Å; S149-E167 VanDerWaalsContact CB-OE1 3.24Å; S149-E167 WeakPolarHBondContact CB-OE1 3.4Å; S149-E167 PolarHBondContact OG-OE1 2.99Å |
| 150 | Q | 98.8 | Very high | 89.6 | Confident | 45 Ų | 45 | 23.4 Ų | 23.4 | 21% | 0.21 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.9 | 176.3 | -177.3 | 178.7 | -40.9 | 0 | 0 | 109.3 | V129 N162 Q163 L164 | V129-Q150 HydrophobicContact CB-CB 4.08Å; V129-Q150 HydrophobicContact CB-CG 4.39Å; V129-Q150 PolarHBondContact N-O 3.26Å; V129-Q150 WeakPolarHBondContact O-CB 3.39Å; V129-Q150 PolarHBondContact O-N 2.83Å; V129-Q150 VanDerWaalsContact O-N 3.09Å; Q150-N162 HydrophobicContact CG-CB 4.38Å; Q150-N162 PolarHBondContact NE2-OD1 3.2Å; Q150-Q163 WeakPolarHBondContact CA-O 3.39Å; Q150-L164 HydrophobicContact CB-CD2 3.74Å; Q150-L164 HydrophobicContact CG-CD2 4.35Å |
| 151 | D | 98.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 176.8 | 173.6 | -149.2 | -22 | 0 | 0 | 0 | 111.1 | G83 Y120 S125 T127 Y128 Q163 F165 | G83-D151 VanDerWaalsContact CA-CG 3.4Å; G83-D151 WeakPolarHBondContact CA-OD1 3.43Å; G83-D151 WeakPolarHBondContact CA-OD2 2.98Å; Y120-D151 WeakPolarHBondContact CE2-OD2 3.08Å; Y120-D151 PolarHBondContact OH-OD2 2.64Å; S125-D151 WeakPolarHBondContact CB-OD2 2.71Å; S125-D151 VanDerWaalsContact OG-CG 3.3Å; S125-D151 PolarHBondContact OG-OD1 3.03Å; S125-D151 PolarHBondContact OG-OD2 2.88Å; T127-D151 WeakPolarHBondContact CB-OD1 3.43Å; T127-D151 PolarHBondContact OG1-OD1 3.41Å; Y128-D151 PolarHBondContact N-OD1 3.2Å; D151-Q163 PolarHBondContact N-O 2.71Å; D151-Q163 PolarHBondContact O-N 3.11Å; D151-F165 HydrophobicContact CB-CE1 3.75Å; D151-F165 HydrophobicContact CB-CZ 4.4Å |
| 152 | T | 98.8 | Very high | 93.4 | Very high | 19 Ų | 19 | 31.2 Ų | 31.2 | 12% | 0.117 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 124.3 | 169.3 | -62.6 | 0 | 0 | 0 | 0 | 110.1 | L82 G83 A159 V160 | L82-T152 WeakPolarHBondContact CA-O 3.22Å; G83-T152 PolarHBondContact N-O 3.23Å; T152-A159 HydrophobicContact CG2-CB 4.17Å; T152-V160 WeakPolarHBondContact CA-O 3.16Å |
| 153 | C | 98.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 127.6 | 171.7 | -179.5 | 0 | 0 | 0 | 0 | 109.8 | S81 L82 V160 Q163 | S81-C153 CarbonylContact O-C 3.52Å; S81-C153 WeakPolarHBondContact O-CA 3.25Å; L82-C153 HydrophobicContact CD2-CB 3.77Å; C153-V160 HydrophobicContact CB-CB 4.45Å; C153-V160 PolarHBondContact N-O 3.31Å; C153-V160 WeakPolarHBondContact O-CA 3.17Å; C153-V160 WeakPolarHBondContact O-CB 3.48Å; C153-V160 PolarHBondContact O-N 2.97Å; C153-Q163 HydrophobicContact CB-CB 3.85Å; C153-Q163 HydrophobicContact CB-CG 4.01Å |
| 154 | T | 98.5 | Very high | 96.2 | Very high | 33 Ų | 33 | 31.4 Ų | 31.4 | 20% | 0.202 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128.9 | 177.8 | -54.9 | 0 | 0 | 0 | 0 | 110.4 | I80 S81 I158 | I80-T154 CarbonylContact C-O 3.55Å; I80-T154 WeakPolarHBondContact CA-O 3.37Å; S81-T154 PolarHBondContact N-O 2.73Å; S81-T154 PolarHBondContact O-N 3.28Å; T154-I158 CarbonylContact C-O 3.47Å; T154-I158 VanDerWaalsContact CA-O 3.24Å; T154-I158 WeakPolarHBondContact CA-O 3.38Å |
| 155 | I | 97 | Very high | 96.9 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 115.5 | 176.1 | -50.3 | 179.1 | 0 | 0 | 0 | 108.1 | I22 I80 F93 N157 I158 L185 V200 I204 L233 | I22-I155 HydrophobicContact CD1-CG2 3.93Å; I22-I155 HydrophobicContact CG1-CG2 3.55Å; I80-I155 HydrophobicContact CG2-CD1 4.49Å; I80-I155 HydrophobicContact CG2-CG1 3.88Å; I80-I155 HydrophobicContact CG2-CG2 4.44Å; F93-I155 HydrophobicContact CE1-CD1 4.41Å; F93-I155 HydrophobicContact CE1-CG2 4.21Å; F93-I155 HydrophobicContact CZ-CG2 4.14Å; I155-N157 PolarHBondContact O-N 2.78Å; I155-N157 VanDerWaalsContact O-N 3.15Å; I155-I158 PolarHBondContact N-O 2.8Å; I155-I158 PolarHBondContact O-N 3.43Å; I155-L185 HydrophobicContact CD1-CD1 3.66Å; I155-L185 HydrophobicContact CG1-CD1 4.39Å; I155-V200 HydrophobicContact CD1-CG1 3.77Å; I155-I204 HydrophobicContact CD1-CD1 4.31Å; I155-L233 HydrophobicContact CG2-CD1 4.19Å |
| 156 | G | 93.3 | Very high | 97.3 | Very high | 49 Ų | 49 | 29.4 Ų | 29.4 | 51% | 0.505 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | -118.6 | -169.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 157 | N | 92.5 | Very high | 97.5 | Very high | 122 Ų | 122 | 28.9 Ų | 28.9 | 65% | 0.652 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 4.1 | 175.2 | 65.2 | -17.6 | 0 | 0 | 0 | 113.9 | V20 I155 | V20-N157 VanDerWaalsContact CG1-OD1 3.23Å; V20-N157 WeakPolarHBondContact CG1-OD1 3.32Å; V20-N157 WeakPolarHBondContact CG2-OD1 3.45Å; I155-N157 PolarHBondContact O-N 2.78Å; I155-N157 VanDerWaalsContact O-N 3.15Å |
| 158 | I | 96.2 | Very high | 97.4 | Very high | 8 Ų | 8 | 26.7 Ų | 26.7 | 4% | 0.041 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 117.1 | 178.4 | -65.8 | 174.4 | 0 | 0 | 0 | 109.6 | V20 T154 I155 V160 I204 K209 V210 L233 | V20-I158 HydrophobicContact CB-CD1 4.01Å; V20-I158 HydrophobicContact CB-CG1 4.42Å; V20-I158 HydrophobicContact CG1-CD1 4.01Å; V20-I158 HydrophobicContact CG1-CG1 4.12Å; V20-I158 HydrophobicContact CG2-CD1 3.7Å; V20-I158 HydrophobicContact CG2-CG1 3.85Å; T154-I158 CarbonylContact C-O 3.47Å; T154-I158 VanDerWaalsContact CA-O 3.24Å; T154-I158 WeakPolarHBondContact CA-O 3.38Å; I155-I158 PolarHBondContact N-O 2.8Å; I155-I158 PolarHBondContact O-N 3.43Å; I158-V160 HydrophobicContact CG2-CG2 3.83Å; I158-I204 HydrophobicContact CG2-CG1 4.27Å; I158-K209 HydrophobicContact CD1-CB 4.49Å; I158-K209 HydrophobicContact CG2-CB 3.65Å; I158-K209 HydrophobicContact CG2-CD 4.44Å; I158-K209 HydrophobicContact CG2-CG 4.03Å; I158-V210 HydrophobicContact CD1-CG1 3.7Å; I158-L233 HydrophobicContact CD1-CB 4.41Å; I158-L233 HydrophobicContact CD1-CD1 3.95Å |
| 159 | A | 97.9 | Very high | 97.1 | Very high | 37 Ų | 37 | 28.5 Ų | 28.5 | 31% | 0.306 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 116.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | T152 K209 | T152-A159 HydrophobicContact CG2-CB 4.17Å; A159-K209 WeakPolarHBondContact O-CE 3.4Å; A159-K209 PolarHBondContact O-NZ 2.9Å |
| 160 | V | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 109.2 | 175 | -171 | 0 | 0 | 0 | 0 | 108.1 | T152 C153 I158 V200 N203 I204 | T152-V160 WeakPolarHBondContact CA-O 3.16Å; C153-V160 HydrophobicContact CB-CB 4.45Å; C153-V160 PolarHBondContact N-O 3.31Å; C153-V160 WeakPolarHBondContact O-CA 3.17Å; C153-V160 WeakPolarHBondContact O-CB 3.48Å; C153-V160 PolarHBondContact O-N 2.97Å; I158-V160 HydrophobicContact CG2-CG2 3.83Å; V160-V200 HydrophobicContact CG2-CG1 4.19Å; V160-N203 HydrophobicContact CG1-CB 3.45Å; V160-N203 VanDerWaalsContact CG1-CB 3.45Å; V160-I204 HydrophobicContact CG2-CD1 4.06Å; V160-I204 HydrophobicContact CG2-CG1 3.41Å; V160-I204 VanDerWaalsContact CG2-CG1 3.41Å |
| 161 | E | 98.4 | Very high | 95.6 | Very high | 99 Ų | 99 | 32.5 Ų | 32.5 | 46% | 0.463 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 154.1 | -178.4 | -67.2 | 166.3 | -151.5 | 0 | 0 | 110.7 | Q163 Q207 K209 | E161-Q163 VanDerWaalsContact C-N 3.25Å; E161-Q163 PolarHBondContact O-N 3.36Å; E161-Q207 VanDerWaalsContact N-OE1 3.09Å; E161-Q207 PolarHBondContact O-NE2 3.16Å; E161-K209 IonicContact OE1-NZ 3.98Å |
| 162 | N | 98.2 | Very high | 94.3 | Very high | 95 Ų | 95 | 35.8 Ų | 35.8 | 51% | 0.508 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 56.8 | 33.9 | 173.5 | -54 | -51.1 | 0 | 0 | 0 | 114.4 | Q150 L164 | Q150-N162 HydrophobicContact CG-CB 4.38Å; Q150-N162 PolarHBondContact NE2-OD1 3.2Å; N162-L164 PolarHBondContact O-N 2.76Å |
| 163 | Q | 98.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 121.8 | 176.7 | -178.7 | 58.7 | 51.9 | 0 | 0 | 109.9 | L100 Q150 D151 C153 E161 V198 V200 N203 | L100-Q163 HydrophobicContact CD2-CG 4.15Å; Q150-Q163 WeakPolarHBondContact CA-O 3.39Å; D151-Q163 PolarHBondContact N-O 2.71Å; D151-Q163 PolarHBondContact O-N 3.11Å; C153-Q163 HydrophobicContact CB-CB 3.85Å; C153-Q163 HydrophobicContact CB-CG 4.01Å; E161-Q163 VanDerWaalsContact C-N 3.25Å; E161-Q163 PolarHBondContact O-N 3.36Å; Q163-V198 PolarHBondContact NE2-O 3.16Å; Q163-V200 HydrophobicContact CG-CG2 4.09Å; Q163-N203 PolarHBondContact OE1-ND2 2.6Å |
| 164 | L | 98.3 | Very high | 91.4 | Very high | 41 Ų | 41 | 39 Ų | 39 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 134.7 | 167.3 | -75.1 | 172.3 | 0 | 0 | 0 | 110.3 | N131 S149 Q150 N162 V197 | N131-L164 HydrophobicContact CB-CD2 4.3Å; S149-L164 CarbonylContact O-C 3.54Å; S149-L164 WeakPolarHBondContact O-CA 3.26Å; Q150-L164 HydrophobicContact CB-CD2 3.74Å; Q150-L164 HydrophobicContact CG-CD2 4.35Å; N162-L164 PolarHBondContact O-N 2.76Å; L164-V197 HydrophobicContact CB-CG1 3.78Å |
| 165 | F | 98.4 | Very high | 90 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 161.2 | 177.4 | 66.7 | -81.4 | 0 | 0 | 0 | 111.3 | L82 L100 V102 Y120 L148 S149 D151 E167 | L82-F165 HydrophobicContact CD1-CD2 4.09Å; L82-F165 HydrophobicContact CD1-CE2 3.84Å; L82-F165 HydrophobicContact CD1-CZ 4.08Å; L82-F165 HydrophobicContact CD2-CD1 4.21Å; L82-F165 HydrophobicContact CD2-CE1 4.14Å; L82-F165 HydrophobicContact CD2-CZ 4.45Å; L100-F165 HydrophobicContact CB-CB 3.94Å; L100-F165 HydrophobicContact CD2-CB 3.85Å; L100-F165 HydrophobicContact CD2-CG 4.45Å; L100-F165 HydrophobicContact CG-CB 3.69Å; L100-F165 CarbonylContact O-C 3.58Å; L100-F165 WeakPolarHBondContact O-CA 3.2Å; L100-F165 WeakPolarHBondContact O-CB 3.25Å; V102-F165 HydrophobicContact CG2-CD2 4.03Å; V102-F165 HydrophobicContact CG2-CE2 3.82Å; Y120-F165 HydrophobicContact CD1-CE2 4.03Å; Y120-F165 AromaticContact CD1-CZ 3.9Å; Y120-F165 HydrophobicContact CD1-CZ 3.9Å; Y120-F165 HydrophobicContact CD2-CZ 4.21Å; Y120-F165 HydrophobicContact CE1-CE2 4.24Å; Y120-F165 AromaticContact CE1-CZ 3.66Å; Y120-F165 HydrophobicContact CE1-CZ 3.66Å; Y120-F165 HydrophobicContact CE2-CZ 4.01Å; Y120-F165 HydrophobicContact CG-CE2 4.19Å; Y120-F165 HydrophobicContact CG-CZ 4.16Å; Y120-F165 AromaticContact CZ-CZ 3.72Å; L148-F165 WeakPolarHBondContact CA-O 3.36Å; S149-F165 PolarHBondContact N-O 3.06Å; S149-F165 WeakPolarHBondContact O-CD1 2.96Å; S149-F165 PolarHBondContact O-N 3.01Å; D151-F165 HydrophobicContact CB-CE1 3.75Å; D151-F165 HydrophobicContact CB-CZ 4.4Å; F165-E167 HydrophobicContact CE2-CG 3.92Å |
| 166 | G | 97.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 123.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L100 W101 V102 | L100-G166 PolarHBondContact O-N 3.05Å; W101-G166 CarbonylContact C-O 3.59Å; W101-G166 WeakPolarHBondContact CA-O 3.32Å; W101-G166 WeakPolarHBondContact CB-O 3.4Å; V102-G166 PolarHBondContact N-O 2.83Å |
| 167 | E | 97.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 106.2 | 162.1 | -86.6 | -168.7 | -118.5 | 0 | 0 | 109 | S104 H106 Y120 G146 Y147 S149 F165 I169 | S104-E167 WeakPolarHBondContact CB-OE2 3.39Å; S104-E167 PolarHBondContact OG-OE2 3.47Å; H106-E167 IonicContact CD2-OE2 3.95Å; Y120-E167 VanDerWaalsContact CD1-CD 3.5Å; Y120-E167 HydrophobicContact CD1-CG 3.75Å; Y120-E167 HydrophobicContact CE1-CG 4.26Å; Y120-E167 WeakPolarHBondContact CE1-OE1 3.39Å; G146-E167 VanDerWaalsContact CA-O 3.31Å; G146-E167 WeakPolarHBondContact CA-O 3.02Å; Y147-E167 HydrophobicContact CD2-CB 4.06Å; Y147-E167 HydrophobicContact CE2-CB 3.64Å; Y147-E167 VanDerWaalsContact CE2-CD 3.46Å; Y147-E167 HydrophobicContact CE2-CG 4.09Å; Y147-E167 PolarHBondContact N-O 3.4Å; Y147-E167 PolarHBondContact O-N 3.49Å; Y147-E167 PolarHBondContact OH-OE2 2.88Å; S149-E167 VanDerWaalsContact CB-OE1 3.24Å; S149-E167 WeakPolarHBondContact CB-OE1 3.4Å; S149-E167 PolarHBondContact OG-OE1 2.99Å; F165-E167 HydrophobicContact CE2-CG 3.92Å; E167-I169 PolarHBondContact O-N 3.41Å |
| 168 | A | 93.1 | Very high | 87 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 121.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | W101 V102 S104 L144 Q171 | W101-A168 HydrophobicContact CE3-CB 4.25Å; V102-A168 PolarHBondContact O-N 2.78Å; S104-A168 WeakPolarHBondContact CB-O 3.42Å; S104-A168 PolarHBondContact N-O 2.56Å; L144-A168 HydrophobicContact CB-CB 4.32Å; L144-A168 HydrophobicContact CD1-CB 4.49Å; A168-Q171 HydrophobicContact CB-CG 3.95Å |
| 169 | I | 91.8 | Very high | 86.2 | Confident | 46 Ų | 46 | 33.7 Ų | 33.7 | 24% | 0.236 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | -14.7 | 176.5 | 69.6 | -174.4 | 0 | 0 | 0 | 112.8 | H106 C107 S145 Y147 E167 | H106-I169 HydrophobicContact CB-CG2 4.14Å; C107-I169 VanDerWaalsContact CA-O 3.32Å; C107-I169 WeakPolarHBondContact CA-O 3.24Å; C107-I169 WeakPolarHBondContact CB-O 3.04Å; S145-I169 WeakPolarHBondContact O-CG1 3.34Å; S145-I169 PolarHBondContact O-N 2.85Å; Y147-I169 HydrophobicContact CD1-CG2 4.28Å; Y147-I169 HydrophobicContact CE1-CG2 3.67Å; E167-I169 PolarHBondContact O-N 3.41Å |
| 170 | K | 85.7 | Confident | 85.6 | Confident | 124 Ų | 124 | 37.4 Ų | 37.4 | 54% | 0.539 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 126 | 174.8 | -70.6 | 175.3 | -176.9 | 179.4 | 0 | 109 | D111 L144 S145 P172 | D111-K170 VanDerWaalsContact OD2-CA 3.27Å; D111-K170 WeakPolarHBondContact OD2-CA 3.49Å; L144-K170 CarbonylContact C-O 3.53Å; L144-K170 VanDerWaalsContact CA-O 3.22Å; L144-K170 WeakPolarHBondContact CA-O 3.48Å; S145-K170 PolarHBondContact N-O 2.83Å; S145-K170 PolarHBondContact O-N 2.79Å; S145-K170 VanDerWaalsContact O-N 3.07Å; K170-P172 VanDerWaalsContact C-CD 3.46Å |
| 171 | Q | 80.3 | Confident | 85.1 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.019 | 20% | 0.2 | C | C | . | . | trans | -130.5 | 62.2 | 178.7 | -63 | 167.8 | -81.9 | 0 | 0 | 110 | D111 A113 L144 A168 G173 F176 | D111-Q171 PolarHBondContact OD2-N 3.37Å; A113-Q171 HydrophobicContact CB-CB 4.26Å; L144-Q171 HydrophobicContact CB-CG 4.35Å; A168-Q171 HydrophobicContact CB-CG 3.95Å; Q171-G173 PolarHBondContact O-N 3.33Å; Q171-F176 HydrophobicContact CB-CB 4.44Å; Q171-F176 HydrophobicContact CB-CD2 4.16Å; Q171-F176 HydrophobicContact CB-CG 4.45Å | ||
| 172 | P | 70.6 | Confident | 84.8 | Confident | 71 Ų | 71 | 33.1 Ų | 33.1 | 46% | 0.461 | 18% | 0.18 | S | C | . | . | trans | -62.1 | 131.4 | -179.9 | 28.2 | -37.5 | 0 | 0 | 0 | 111.2 | S143 K170 | S143-P172 PolarHBondContact N-O 3.28Å; S143-P172 VanDerWaalsContact O-CD 3.24Å; S143-P172 WeakPolarHBondContact O-CD 3.09Å; S143-P172 VanDerWaalsContact OG-CG 3.3Å; S143-P172 WeakPolarHBondContact OG-CG 3.34Å; K170-P172 VanDerWaalsContact C-CD 3.46Å | ||
| 173 | G | 67.9 | Low | 84.6 | Confident | 35 Ų | 35 | 28.6 Ų | 28.6 | 36% | 0.361 | 16% | 0.155 | S | C | . | . | S | Bend | trans | 133.7 | 143.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q171 A175 | Q171-G173 PolarHBondContact O-N 3.33Å; G173-A175 PolarHBondContact O-N 3Å |
| 174 | I | 69.1 | Low | 84.3 | Confident | 50 Ų | 50 | 28.5 Ų | 28.5 | 26% | 0.256 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -67.8 | -21.5 | 178.6 | 59.4 | 173.4 | 0 | 0 | 0 | 112.8 | L34 E43 L44 F176 I177 A178 | L34-I174 HydrophobicContact CD1-CD1 4.23Å; L34-I174 HydrophobicContact CD1-CG1 4.36Å; L34-I174 HydrophobicContact CD2-CD1 4.42Å; E43-I174 HydrophobicContact CB-CD1 4.4Å; L44-I174 HydrophobicContact CD2-CD1 3.8Å; L44-I174 HydrophobicContact CG-CD1 4.33Å; I174-F176 PolarHBondContact O-N 2.73Å; I174-I177 PolarHBondContact O-N 3.16Å; I174-A178 PolarHBondContact O-N 2.9Å; I174-A178 VanDerWaalsContact O-N 3.12Å |
| 175 | A | 69.3 | Low | 84.3 | Confident | 3 Ų | 3 | 26.6 Ų | 26.6 | 3% | 0.025 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.4 | -46.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I30 L72 G173 I177 A178 A179 | I30-A175 HydrophobicContact CG2-CB 4.33Å; L72-A175 HydrophobicContact CD2-CB 3.81Å; G173-A175 PolarHBondContact O-N 3Å; A175-I177 VanDerWaalsContact C-N 3.29Å; A175-I177 PolarHBondContact O-N 3.41Å; A175-A178 PolarHBondContact O-N 2.8Å; A175-A179 PolarHBondContact O-N 2.93Å |
| 176 | F | 72.6 | Confident | 84.2 | Confident | 9 Ų | 9 | 26.6 Ų | 26.6 | 4% | 0.039 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -72.8 | -19.3 | 179 | -61.8 | -60.3 | 0 | 0 | 0 | 113.6 | W101 A113 H117 Y139 Q171 I174 | W101-F176 HydrophobicContact CH2-CD1 4.13Å; W101-F176 AromaticContact CH2-CE1 3.74Å; W101-F176 HydrophobicContact CH2-CE1 3.74Å; W101-F176 HydrophobicContact CH2-CZ 4.43Å; W101-F176 AromaticContact CZ2-CE1 3.92Å; W101-F176 HydrophobicContact CZ2-CE1 3.92Å; W101-F176 HydrophobicContact CZ2-CZ 4.4Å; A113-F176 HydrophobicContact CB-CB 3.77Å; H117-F176 PolarHBondContact CE1-O 2.77Å; Y139-F176 HydrophobicContact CD2-CE2 4.33Å; Y139-F176 AromaticContact CD2-CZ 3.65Å; Y139-F176 HydrophobicContact CD2-CZ 3.65Å; Y139-F176 AromaticContact CE2-CZ 3.93Å; Y139-F176 HydrophobicContact CE2-CZ 3.93Å; Q171-F176 HydrophobicContact CB-CB 4.44Å; Q171-F176 HydrophobicContact CB-CD2 4.16Å; Q171-F176 HydrophobicContact CB-CG 4.45Å; I174-F176 PolarHBondContact O-N 2.73Å |
| 177 | I | 74.1 | Confident | 84.2 | Confident | 65 Ų | 65 | 26.8 Ų | 26.8 | 33% | 0.333 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -74.2 | -36.8 | 171.6 | -61.5 | 176.4 | 0 | 0 | 0 | 110.6 | I112 A113 L116 I174 A175 | I112-I177 HydrophobicContact CB-CD1 4.24Å; I112-I177 HydrophobicContact CG2-CD1 4.32Å; I112-I177 HydrophobicContact CG2-CG2 4.45Å; A113-I177 HydrophobicContact CB-CG1 3.8Å; L116-I177 HydrophobicContact CD1-CG2 3.97Å; I174-I177 PolarHBondContact O-N 3.16Å; A175-I177 VanDerWaalsContact C-N 3.29Å; A175-I177 PolarHBondContact O-N 3.41Å |
| 178 | A | 73.1 | Confident | 84.1 | Confident | 21 Ų | 21 | 26.9 Ų | 26.9 | 17% | 0.174 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -88.4 | -8.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I30 L34 I174 A175 | I30-A178 HydrophobicContact CG2-CB 3.95Å; L34-A178 HydrophobicContact CD1-CB 4.31Å; L34-A178 HydrophobicContact CD2-CB 3.87Å; L34-A178 HydrophobicContact CG-CB 4.01Å; I174-A178 PolarHBondContact O-N 2.9Å; I174-A178 VanDerWaalsContact O-N 3.12Å; A175-A178 PolarHBondContact O-N 2.8Å |
| 179 | A | 80.1 | Confident | 84.2 | Confident | 7 Ų | 7 | 27.1 Ų | 27.1 | 6% | 0.058 | 15% | 0.147 | C | C | . | . | trans | -59.9 | 148.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I30 H117 A175 F181 | I30-A179 HydrophobicContact CD1-CB 3.94Å; I30-A179 HydrophobicContact CG1-CB 4.46Å; H117-A179 PolarHBondContact NE2-O 3.4Å; A175-A179 PolarHBondContact O-N 2.93Å; A179-F181 HydrophobicContact CB-CD1 4.21Å; A179-F181 HydrophobicContact CB-CE1 4.03Å; A179-F181 HydrophobicContact CB-CE2 4.5Å; A179-F181 HydrophobicContact CB-CZ 4.19Å | ||
| 180 | K | 85.2 | Confident | 84.4 | Confident | 114 Ų | 114 | 27.3 Ų | 27.3 | 50% | 0.496 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -107.4 | 8.4 | 173.3 | -61.2 | -62 | -175 | -174.3 | 0 | 112.2 | F27 Y77 | F27-K180 HydrophobicContact CD2-CB 3.91Å; F27-K180 HydrophobicContact CD2-CG 4.03Å; F27-K180 HydrophobicContact CE2-CB 4.48Å; F27-K180 HydrophobicContact CG-CB 4.34Å; Y77-K180 HydrophobicContact CE1-CB 4.35Å |
| 181 | F | 87.5 | Confident | 84.6 | Confident | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.009 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -126.8 | 148.2 | -178.5 | 61.6 | -97.7 | 0 | 0 | 0 | 109.2 | F27 I30 Y77 T90 V92 H117 A179 G183 I184 | F27-F181 HydrophobicContact CE1-CD1 4.34Å; F27-F181 HydrophobicContact CE2-CD1 4.22Å; F27-F181 HydrophobicContact CE2-CE1 4.43Å; F27-F181 AromaticContact CZ-CD1 3.71Å; F27-F181 HydrophobicContact CZ-CD1 3.71Å; F27-F181 AromaticContact CZ-CE1 3.92Å; F27-F181 HydrophobicContact CZ-CE1 3.92Å; I30-F181 HydrophobicContact CD1-CE1 4.05Å; I30-F181 HydrophobicContact CD1-CZ 4.35Å; Y77-F181 HydrophobicContact CG-CB 4.34Å; T90-F181 WeakPolarHBondContact OG1-CA 3.33Å; V92-F181 HydrophobicContact CG2-CB 4.47Å; V92-F181 HydrophobicContact CG2-CD1 3.59Å; V92-F181 HydrophobicContact CG2-CD2 3.95Å; V92-F181 HydrophobicContact CG2-CE1 3.65Å; V92-F181 HydrophobicContact CG2-CE2 3.99Å; V92-F181 HydrophobicContact CG2-CG 3.75Å; V92-F181 HydrophobicContact CG2-CZ 3.84Å; H117-F181 PolarHBondContact CD2-O 2.7Å; H117-F181 PolarHBondContact NE2-O 3.11Å; A179-F181 HydrophobicContact CB-CD1 4.21Å; A179-F181 HydrophobicContact CB-CE1 4.03Å; A179-F181 HydrophobicContact CB-CE2 4.5Å; A179-F181 HydrophobicContact CB-CZ 4.19Å; F181-G183 WeakPolarHBondContact CD2-O 3.11Å; F181-I184 HydrophobicContact CE2-CG1 4.04Å |
| 182 | D | 92.7 | Very high | 84.9 | Confident | 7 Ų | 7 | 25.1 Ų | 25.1 | 4% | 0.037 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -78 | -40.4 | -177 | -56.9 | -60.3 | 0 | 0 | 0 | 112.4 | F89 T90 P103 H117 H118 | F89-D182 HydrophobicContact CB-CB 4.35Å; F89-D182 HydrophobicContact CD1-CB 3.96Å; T90-D182 PolarHBondContact N-OD2 3.41Å; T90-D182 WeakPolarHBondContact O-CA 3Å; T90-D182 WeakPolarHBondContact O-CB 3.43Å; T90-D182 PolarHBondContact O-N 3.31Å; T90-D182 VanDerWaalsContact OG1-CG 3.28Å; T90-D182 PolarHBondContact OG1-N 3.01Å; T90-D182 PolarHBondContact OG1-OD2 3.28Å; P103-D182 WeakPolarHBondContact CD-O 2.95Å; P103-D182 VanDerWaalsContact CG-O 3.32Å; P103-D182 WeakPolarHBondContact CG-O 3.38Å; H117-D182 HydrophobicContact CB-CB 4.49Å; H117-D182 WeakPolarHBondContact CB-OD1 3.19Å; H117-D182 IonicContact CD2-OD1 3.5Å; H117-D182 IonicContact CG-OD1 3.83Å; H118-D182 IonicContact CE1-OD2 3.96Å; H118-D182 IonicContact CG-OD1 3.7Å; H118-D182 IonicContact CG-OD2 3.68Å; H118-D182 PolarHBondContact N-OD1 3.01Å; H118-D182 IonicContact ND1-OD1 3.3Å; H118-D182 PolarHBondContact ND1-OD1 3.45Å; H118-D182 IonicContact ND1-OD2 2.88Å; H118-D182 PolarHBondContact ND1-OD2 2.97Å |
| 183 | G | 93.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | -166.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | T90 V91 V92 W101 F181 | T90-G183 PolarHBondContact O-N 2.71Å; T90-G183 VanDerWaalsContact O-N 3.07Å; V91-G183 VanDerWaalsContact CA-O 3.23Å; V91-G183 WeakPolarHBondContact CA-O 3.46Å; V92-G183 PolarHBondContact N-O 2.75Å; V92-G183 VanDerWaalsContact N-O 3.17Å; W101-G183 WeakPolarHBondContact O-CA 3.39Å; F181-G183 WeakPolarHBondContact CD2-O 3.11Å |
| 184 | I | 92.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 137.9 | -180 | -57.1 | 178 | 0 | 0 | 0 | 108.7 | Y71 D94 L100 W101 F181 | Y71-I184 HydrophobicContact CD1-CD1 4.19Å; Y71-I184 HydrophobicContact CD2-CD1 3.62Å; Y71-I184 HydrophobicContact CE1-CD1 3.84Å; Y71-I184 HydrophobicContact CE2-CD1 3.17Å; Y71-I184 HydrophobicContact CG-CD1 4.08Å; D94-I184 HydrophobicContact CB-CG2 3.69Å; L100-I184 WeakPolarHBondContact CA-O 3.45Å; L100-I184 WeakPolarHBondContact CD1-O 3.48Å; W101-I184 HydrophobicContact CH2-CG1 4.43Å; W101-I184 HydrophobicContact CZ2-CB 4.16Å; W101-I184 HydrophobicContact CZ2-CD1 3.55Å; W101-I184 HydrophobicContact CZ2-CG1 3.51Å; W101-I184 PolarHBondContact N-O 2.95Å; W101-I184 PolarHBondContact O-N 3.47Å; F181-I184 HydrophobicContact CE2-CG1 4.04Å |
| 185 | L | 97.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 104.1 | 171.7 | -168.9 | 159.2 | 0 | 0 | 0 | 108.7 | I80 V91 V92 F93 D94 L100 I155 M187 V200 | I80-L185 HydrophobicContact CD1-CD1 4.22Å; I80-L185 HydrophobicContact CG2-CD1 3.9Å; V91-L185 HydrophobicContact CB-CB 4.35Å; V91-L185 HydrophobicContact CG2-CB 3.96Å; V92-L185 PolarHBondContact O-N 3.09Å; F93-L185 HydrophobicContact CD1-CB 4.33Å; F93-L185 HydrophobicContact CD1-CD1 4.37Å; F93-L185 HydrophobicContact CD1-CD2 4Å; F93-L185 HydrophobicContact CD1-CG 4.47Å; F93-L185 HydrophobicContact CE1-CD1 3.91Å; F93-L185 HydrophobicContact CE1-CD2 4.28Å; F93-L185 HydrophobicContact CE1-CG 4.48Å; D94-L185 PolarHBondContact N-O 2.79Å; L100-L185 HydrophobicContact CD1-CB 3.95Å; L100-L185 HydrophobicContact CD1-CD1 4.27Å; L100-L185 HydrophobicContact CD1-CG 4.08Å; I155-L185 HydrophobicContact CD1-CD1 3.66Å; I155-L185 HydrophobicContact CG1-CD1 4.39Å; L185-M187 HydrophobicContact CD2-CG 3.94Å; L185-M187 HydrophobicContact CD2-SD 3.37Å; L185-M187 WeakPolarHBondContact CD2-SD 3.12Å; L185-V200 HydrophobicContact CD1-CB 4.45Å; L185-V200 HydrophobicContact CD1-CG2 4.09Å; L185-V200 HydrophobicContact CD2-CB 4.14Å; L185-V200 HydrophobicContact CD2-CG2 4.13Å; L185-V200 HydrophobicContact CG-CB 4.42Å; L185-V200 HydrophobicContact CG-CG2 3.93Å |
| 186 | G | 96.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 132.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | D94 S97 N99 | D94-G186 CarbonylContact O-C 3.5Å; D94-G186 WeakPolarHBondContact O-CA 3Å; S97-G186 CarbonylContact O-C 3.55Å; S97-G186 VanDerWaalsContact O-C 3.3Å; S97-G186 WeakPolarHBondContact O-CA 3.34Å; S97-G186 WeakPolarHBondContact OG-CA 3.33Å; N99-G186 PolarHBondContact O-N 3.45Å |
| 187 | M | 97.3 | Very high | 89.4 | Confident | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.025 | 15% | 0.145 | C | C | . | . | trans | -119.8 | 10.3 | -175.7 | -62.8 | -71.9 | -74 | 0 | 0 | 112.3 | F93 D94 T95 S97 L185 F215 L231 L233 W256 | F93-M187 HydrophobicContact CB-CG 4.33Å; F93-M187 HydrophobicContact CD1-CG 4.44Å; F93-M187 HydrophobicContact CD1-SD 4.23Å; D94-M187 PolarHBondContact O-N 2.93Å; T95-M187 HydrophobicContact CG2-CB 3.8Å; S97-M187 PolarHBondContact O-N 3.19Å; L185-M187 HydrophobicContact CD2-CG 3.94Å; L185-M187 HydrophobicContact CD2-SD 3.37Å; L185-M187 WeakPolarHBondContact CD2-SD 3.12Å; M187-F215 HydrophobicContact CB-CE2 4.3Å; M187-F215 HydrophobicContact CB-CZ 4.02Å; M187-F215 HydrophobicContact CE-CB 4.35Å; M187-F215 HydrophobicContact CE-CD1 3.88Å; M187-F215 HydrophobicContact CE-CD2 3.67Å; M187-F215 HydrophobicContact CE-CE1 4.02Å; M187-F215 HydrophobicContact CE-CE2 3.81Å; M187-F215 HydrophobicContact CE-CG 3.7Å; M187-F215 HydrophobicContact CE-CZ 3.99Å; M187-F215 WeakPolarHBondContact O-CZ 3.48Å; M187-L231 HydrophobicContact CE-CD1 4.3Å; M187-L231 HydrophobicContact CE-CD2 4.39Å; M187-L233 HydrophobicContact CE-CD2 4.3Å; M187-W256 PolarHBondContact O-NE1 2.82Å | ||
| 188 | A | 95.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -83.7 | -170.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | T95 S97 I192 | T95-A188 WeakPolarHBondContact O-CB 3.5Å; S97-A188 WeakPolarHBondContact O-CB 3.32Å; S97-A188 PolarHBondContact O-N 2.87Å; A188-I192 HydrophobicContact CB-CD1 3.62Å; A188-I192 HydrophobicContact CB-CG1 4.19Å |
| 189 | Y | 95.9 | Very high | 91.7 | Very high | 5 Ų | 5 | 25 Ų | 25 | 2% | 0.02 | 14% | 0.141 | C | C | . | . | trans | -80.8 | 147.8 | -178.5 | -72 | -97.4 | 0 | 0 | 0 | 112.1 | S98 R191 I192 Q253 Y255 W256 N388 | S98-Y189 PolarHBondContact OG-O 2.72Å; Y189-R191 PolarHBondContact O-N 3.16Å; Y189-I192 PolarHBondContact O-N 3.09Å; Y189-I192 VanDerWaalsContact O-N 3.16Å; Y189-Q253 HydrophobicContact CD1-CB 3.84Å; Y189-Q253 HydrophobicContact CD1-CG 4.35Å; Y189-Q253 HydrophobicContact CE1-CB 3.97Å; Y189-Q253 HydrophobicContact CE1-CG 3.97Å; Y189-Q253 HydrophobicContact CG-CB 4.24Å; Y189-Y255 WeakPolarHBondContact CE2-O 3.35Å; Y189-W256 AromaticContact CE2-CD2 3.84Å; Y189-W256 HydrophobicContact CE2-CD2 3.84Å; Y189-W256 AromaticContact CE2-CE3 3.85Å; Y189-W256 HydrophobicContact CE2-CE3 3.85Å; Y189-W256 HydrophobicContact CE2-CH2 4.22Å; Y189-W256 HydrophobicContact CE2-CZ2 4.19Å; Y189-W256 HydrophobicContact CE2-CZ3 4.05Å; Y189-W256 AromaticContact CZ-CZ3 3.99Å; Y189-W256 VanDerWaalsContact OH-CZ3 3.3Å; Y189-W256 WeakPolarHBondContact OH-CZ3 3.25Å; Y189-N388 WeakPolarHBondContact CE1-OD1 3.39Å | ||
| 190 | P | 94.6 | Very high | 92.6 | Very high | 50 Ų | 50 | 24.8 Ų | 24.8 | 33% | 0.325 | 14% | 0.138 | S | C | . | . | G | 310 helix | trans | -52.3 | -24.5 | 179.6 | -25.2 | 30.3 | 0 | 0 | 0 | 115.4 | I192 S193 P199 D202 | P190-I192 PolarHBondContact O-N 2.91Å; P190-I192 VanDerWaalsContact O-N 3.16Å; P190-S193 WeakPolarHBondContact O-CB 3.22Å; P190-S193 PolarHBondContact O-N 2.78Å; P190-P199 HydrophobicContact CB-CG 4.22Å; P190-P199 HydrophobicContact CG-CG 4.02Å; P190-D202 VanDerWaalsContact CG-CG 3.49Å; P190-D202 WeakPolarHBondContact CG-OD1 3.43Å |
| 191 | R | 90.9 | Very high | 93.2 | Very high | 82 Ų | 82 | 19.4 Ų | 19.4 | 31% | 0.309 | 12% | 0.115 | S | C | . | . | G | 310 helix | trans | -56.9 | -28.9 | -178.8 | -177.1 | -178.4 | -68.6 | -112.7 | 3.4 | 113.4 | P63 T64 Y189 Q253 A254 | P63-R191 WeakPolarHBondContact CA-O 3.44Å; T64-R191 PolarHBondContact N-O 3.23Å; Y189-R191 PolarHBondContact O-N 3.16Å; R191-Q253 WeakPolarHBondContact CB-O 3.22Å; R191-Q253 WeakPolarHBondContact CD-O 2.93Å; R191-Q253 PolarHBondContact NE-O 2.99Å; R191-A254 HydrophobicContact CG-CB 4.44Å |
| 192 | I | 86.6 | Confident | 93.7 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -99.4 | 3.4 | 178.9 | 70.3 | 173 | 0 | 0 | 0 | 113.8 | T64 G96 S98 A188 Y189 P190 V194 A254 Y255 | T64-I192 VanDerWaalsContact O-CA 3.24Å; T64-I192 WeakPolarHBondContact O-CA 3.32Å; G96-I192 WeakPolarHBondContact O-CD1 3.16Å; S98-I192 WeakPolarHBondContact OG-CG1 3.5Å; A188-I192 HydrophobicContact CB-CD1 3.62Å; A188-I192 HydrophobicContact CB-CG1 4.19Å; Y189-I192 PolarHBondContact O-N 3.09Å; Y189-I192 VanDerWaalsContact O-N 3.16Å; P190-I192 PolarHBondContact O-N 2.91Å; P190-I192 VanDerWaalsContact O-N 3.16Å; I192-V194 PolarHBondContact O-N 3.45Å; I192-A254 HydrophobicContact CG2-CB 3.76Å; I192-A254 WeakPolarHBondContact CG2-O 3.19Å; I192-Y255 HydrophobicContact CD1-CD1 3.76Å; I192-Y255 HydrophobicContact CD1-CE1 3.29Å; I192-Y255 HydrophobicContact CG2-CE1 4.37Å; I192-Y255 HydrophobicContact CG2-CE2 4.1Å |
| 193 | S | 89.8 | Confident | 94 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | trans | -69.9 | 125.4 | 179.2 | -170.5 | 0 | 0 | 0 | 0 | 111 | N99 P190 D195 G196 V197 | N99-S193 PolarHBondContact ND2-OG 3.23Å; N99-S193 VanDerWaalsContact ND2-OG 3.11Å; P190-S193 WeakPolarHBondContact O-CB 3.22Å; P190-S193 PolarHBondContact O-N 2.78Å; S193-D195 PolarHBondContact O-N 3.08Å; S193-G196 PolarHBondContact O-N 3.37Å; S193-V197 WeakPolarHBondContact CB-O 3.13Å; S193-V197 PolarHBondContact OG-N 2.87Å; S193-V197 PolarHBondContact OG-O 2.77Å | ||
| 194 | V | 86.3 | Confident | 94.3 | Very high | 33 Ų | 33 | 21.5 Ų | 21.5 | 20% | 0.2 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -61.4 | 136.4 | 170.8 | 177.8 | 0 | 0 | 0 | 0 | 108.9 | N99 F135 I137 I192 G196 V197 | N99-V194 PolarHBondContact ND2-O 2.6Å; N99-V194 PolarHBondContact OD1-N 3.3Å; F135-V194 HydrophobicContact CD2-CG1 4.11Å; F135-V194 HydrophobicContact CE2-CB 3.85Å; F135-V194 HydrophobicContact CE2-CG1 3.82Å; I137-V194 HydrophobicContact CG1-CG2 4.2Å; I192-V194 PolarHBondContact O-N 3.45Å; V194-G196 PolarHBondContact O-N 3.11Å; V194-G196 VanDerWaalsContact O-N 3.08Å; V194-V197 PolarHBondContact O-N 3.05Å |
| 195 | D | 85.2 | Confident | 94.5 | Very high | 98 Ų | 98 | 22.8 Ų | 22.8 | 52% | 0.524 | 13% | 0.132 | S | C | . | . | G | 310 helix | trans | 57.1 | 17.4 | -176.1 | -57 | -38 | 0 | 0 | 0 | 115.2 | S193 V197 | S193-D195 PolarHBondContact O-N 3.08Å; D195-V197 HydrophobicContact CB-CG2 4.49Å; D195-V197 PolarHBondContact O-N 3.28Å |
| 196 | G | 88.6 | Confident | 94.5 | Very high | 47 Ų | 47 | 26.7 Ų | 26.7 | 49% | 0.485 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | 66.2 | 22.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S193 V194 V198 | S193-G196 PolarHBondContact O-N 3.37Å; V194-G196 PolarHBondContact O-N 3.11Å; V194-G196 VanDerWaalsContact O-N 3.08Å; G196-V198 PolarHBondContact O-N 3.4Å |
| 197 | V | 93.9 | Very high | 94.6 | Very high | 6 Ų | 6 | 29.3 Ų | 29.3 | 4% | 0.036 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -61 | 132.3 | 177.4 | 172 | 0 | 0 | 0 | 0 | 109.9 | L148 L164 S193 V194 D195 P199 | L148-V197 HydrophobicContact CD1-CG2 3.72Å; L148-V197 HydrophobicContact CD2-CG2 3.86Å; L148-V197 HydrophobicContact CG-CG2 4.47Å; L164-V197 HydrophobicContact CB-CG1 3.78Å; S193-V197 WeakPolarHBondContact CB-O 3.13Å; S193-V197 PolarHBondContact OG-N 2.87Å; S193-V197 PolarHBondContact OG-O 2.77Å; V194-V197 PolarHBondContact O-N 3.05Å; D195-V197 HydrophobicContact CB-CG2 4.49Å; D195-V197 PolarHBondContact O-N 3.28Å; V197-P199 VanDerWaalsContact O-CD 3.32Å; V197-P199 WeakPolarHBondContact O-CD 3.43Å |
| 198 | V | 97.6 | Very high | 94.6 | Very high | 66 Ų | 66 | 37.7 Ų | 37.7 | 40% | 0.4 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -69.2 | 121.2 | 177.8 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | Q163 G196 D202 N203 | Q163-V198 PolarHBondContact NE2-O 3.16Å; G196-V198 PolarHBondContact O-N 3.4Å; V198-D202 HydrophobicContact CG1-CB 3.59Å; V198-N203 WeakPolarHBondContact CG1-OD1 3.1Å |
| 199 | P | 98.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -60.5 | 158.1 | 177.7 | -23.2 | 34.2 | 0 | 0 | 0 | 112.7 | P190 V197 F201 D202 N203 | P190-P199 HydrophobicContact CB-CG 4.22Å; P190-P199 HydrophobicContact CG-CG 4.02Å; V197-P199 VanDerWaalsContact O-CD 3.32Å; V197-P199 WeakPolarHBondContact O-CD 3.43Å; P199-F201 VanDerWaalsContact C-N 3.33Å; P199-F201 PolarHBondContact O-N 3.14Å; P199-D202 WeakPolarHBondContact O-CB 3.39Å; P199-D202 PolarHBondContact O-N 2.68Å; P199-D202 VanDerWaalsContact O-N 3.17Å; P199-N203 PolarHBondContact O-N 2.8Å; P199-N203 VanDerWaalsContact O-N 3.16Å |
| 200 | V | 98.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.2 | -42 | -176 | -172.9 | 0 | 0 | 0 | 0 | 112 | L100 I155 V160 Q163 L185 D202 N203 I204 | L100-V200 HydrophobicContact CB-CG2 3.96Å; L100-V200 HydrophobicContact CD2-CG2 3.93Å; I155-V200 HydrophobicContact CD1-CG1 3.77Å; V160-V200 HydrophobicContact CG2-CG1 4.19Å; Q163-V200 HydrophobicContact CG-CG2 4.09Å; L185-V200 HydrophobicContact CD1-CB 4.45Å; L185-V200 HydrophobicContact CD1-CG2 4.09Å; L185-V200 HydrophobicContact CD2-CB 4.14Å; L185-V200 HydrophobicContact CD2-CG2 4.13Å; L185-V200 HydrophobicContact CG-CB 4.42Å; L185-V200 HydrophobicContact CG-CG2 3.93Å; V200-D202 VanDerWaalsContact C-N 3.32Å; V200-D202 PolarHBondContact O-N 3.47Å; V200-N203 PolarHBondContact O-N 3.2Å; V200-I204 HydrophobicContact CG1-CD1 4.26Å; V200-I204 WeakPolarHBondContact O-CG1 3.14Å; V200-I204 PolarHBondContact O-N 3.48Å |
| 201 | F | 98.4 | Very high | 94.4 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.009 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.6 | -32.5 | 179.3 | -164.1 | -107.4 | 0 | 0 | 0 | 112.5 | P199 N203 I204 M205 F215 L233 R385 | P199-F201 VanDerWaalsContact C-N 3.33Å; P199-F201 PolarHBondContact O-N 3.14Å; F201-N203 VanDerWaalsContact C-N 3.34Å; F201-N203 PolarHBondContact O-N 3.18Å; F201-I204 HydrophobicContact CD2-CB 4.36Å; F201-I204 HydrophobicContact CD2-CD1 4.17Å; F201-I204 HydrophobicContact CD2-CG2 4.26Å; F201-I204 HydrophobicContact CE2-CG2 4.21Å; F201-I204 WeakPolarHBondContact O-CB 3.39Å; F201-I204 PolarHBondContact O-N 2.69Å; F201-M205 HydrophobicContact CD1-CE 4.09Å; F201-M205 HydrophobicContact CD1-CG 4.12Å; F201-M205 HydrophobicContact CD1-SD 3.99Å; F201-M205 HydrophobicContact CE1-CE 4.37Å; F201-M205 HydrophobicContact CE1-CG 3.83Å; F201-M205 HydrophobicContact CE1-SD 3.67Å; F201-M205 HydrophobicContact CZ-CG 4.24Å; F201-M205 VanDerWaalsContact O-CG 3.29Å; F201-M205 WeakPolarHBondContact O-CG 3.16Å; F201-M205 PolarHBondContact O-N 2.98Å; F201-F215 AromaticContact CD1-CD1 3.81Å; F201-F215 HydrophobicContact CD1-CD1 3.81Å; F201-F215 AromaticContact CD1-CE1 3.95Å; F201-F215 HydrophobicContact CD1-CE1 3.95Å; F201-F215 AromaticContact CD2-CD1 3.99Å; F201-F215 HydrophobicContact CD2-CD1 3.99Å; F201-F215 AromaticContact CE1-CD1 3.67Å; F201-F215 HydrophobicContact CE1-CD1 3.67Å; F201-F215 HydrophobicContact CE1-CE1 4.13Å; F201-F215 HydrophobicContact CE2-CB 4.14Å; F201-F215 AromaticContact CE2-CD1 3.86Å; F201-F215 HydrophobicContact CE2-CD1 3.86Å; F201-F215 HydrophobicContact CE2-CG 4.47Å; F201-F215 AromaticContact CG-CD1 3.97Å; F201-F215 HydrophobicContact CG-CD1 3.97Å; F201-F215 HydrophobicContact CG-CE1 4.24Å; F201-F215 HydrophobicContact CZ-CB 4.36Å; F201-F215 AromaticContact CZ-CD1 3.7Å; F201-F215 HydrophobicContact CZ-CD1 3.7Å; F201-L233 HydrophobicContact CD2-CD2 4.22Å; F201-L233 HydrophobicContact CE2-CD2 4.1Å; F201-R385 HydrophobicContact CD1-CG 3.75Å; F201-R385 HydrophobicContact CE1-CB 4.07Å; F201-R385 HydrophobicContact CE1-CG 3.6Å |
| 202 | D | 98.5 | Very high | 94.6 | Very high | 26 Ų | 26 | 47.1 Ų | 47.1 | 14% | 0.139 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.4 | -41 | 171.6 | -73.3 | -104.2 | 0 | 0 | 0 | 112 | P190 V198 P199 V200 M205 S206 R385 | P190-D202 VanDerWaalsContact CG-CG 3.49Å; P190-D202 WeakPolarHBondContact CG-OD1 3.43Å; V198-D202 HydrophobicContact CG1-CB 3.59Å; P199-D202 WeakPolarHBondContact O-CB 3.39Å; P199-D202 PolarHBondContact O-N 2.68Å; P199-D202 VanDerWaalsContact O-N 3.17Å; V200-D202 VanDerWaalsContact C-N 3.32Å; V200-D202 PolarHBondContact O-N 3.47Å; D202-M205 HydrophobicContact CB-CE 4.43Å; D202-M205 PolarHBondContact O-N 2.59Å; D202-S206 WeakPolarHBondContact O-CB 3.31Å; D202-S206 PolarHBondContact O-N 2.7Å; D202-S206 PolarHBondContact O-OG 2.84Å; D202-R385 IonicContact OD1-CZ 3.17Å; D202-R385 IonicContact OD1-NH1 3.71Å; D202-R385 IonicContact OD1-NH2 3.67Å; D202-R385 PolarHBondContact OD1-NH2 2.82Å; D202-R385 IonicContact OD2-CZ 3.13Å; D202-R385 IonicContact OD2-NH1 3.09Å; D202-R385 PolarHBondContact OD2-NH1 2.83Å; D202-R385 IonicContact OD2-NH2 3.41Å; D202-R385 PolarHBondContact OD2-NH2 2.85Å |
| 203 | N | 98.6 | Very high | 95.2 | Very high | 24 Ų | 24 | 49.5 Ų | 49.5 | 13% | 0.128 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.8 | -41 | 173.6 | -78.7 | -34.5 | 0 | 0 | 0 | 112.2 | V160 Q163 V198 P199 V200 F201 M205 S206 Q207 | V160-N203 HydrophobicContact CG1-CB 3.45Å; V160-N203 VanDerWaalsContact CG1-CB 3.45Å; Q163-N203 PolarHBondContact OE1-ND2 2.6Å; V198-N203 WeakPolarHBondContact CG1-OD1 3.1Å; P199-N203 PolarHBondContact O-N 2.8Å; P199-N203 VanDerWaalsContact O-N 3.16Å; V200-N203 PolarHBondContact O-N 3.2Å; F201-N203 VanDerWaalsContact C-N 3.34Å; F201-N203 PolarHBondContact O-N 3.18Å; N203-M205 VanDerWaalsContact C-N 3.33Å; N203-M205 PolarHBondContact O-N 2.98Å; N203-S206 WeakPolarHBondContact CA-OG 3.38Å; N203-S206 PolarHBondContact O-N 3.32Å; N203-S206 PolarHBondContact O-OG 3.43Å; N203-Q207 VanDerWaalsContact O-CB 3.27Å; N203-Q207 WeakPolarHBondContact O-CB 3.32Å; N203-Q207 VanDerWaalsContact O-CG 3.25Å; N203-Q207 WeakPolarHBondContact O-CG 3.46Å; N203-Q207 PolarHBondContact O-N 3.03Å |
| 204 | I | 98.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.3 | -48.2 | 173.1 | -73.9 | 172 | 0 | 0 | 0 | 111.3 | I155 I158 V160 V200 F201 K208 K209 V210 L233 | I155-I204 HydrophobicContact CD1-CD1 4.31Å; I158-I204 HydrophobicContact CG2-CG1 4.27Å; V160-I204 HydrophobicContact CG2-CD1 4.06Å; V160-I204 HydrophobicContact CG2-CG1 3.41Å; V160-I204 VanDerWaalsContact CG2-CG1 3.41Å; V200-I204 HydrophobicContact CG1-CD1 4.26Å; V200-I204 WeakPolarHBondContact O-CG1 3.14Å; V200-I204 PolarHBondContact O-N 3.48Å; F201-I204 HydrophobicContact CD2-CB 4.36Å; F201-I204 HydrophobicContact CD2-CD1 4.17Å; F201-I204 HydrophobicContact CD2-CG2 4.26Å; F201-I204 HydrophobicContact CE2-CG2 4.21Å; F201-I204 WeakPolarHBondContact O-CB 3.39Å; F201-I204 PolarHBondContact O-N 2.69Å; I204-K208 PolarHBondContact O-N 2.85Å; I204-K208 VanDerWaalsContact O-N 3.14Å; I204-K209 HydrophobicContact CG2-CB 4.16Å; I204-K209 PolarHBondContact O-N 3.17Å; I204-V210 HydrophobicContact CG2-CB 4.3Å; I204-V210 HydrophobicContact CG2-CG1 3.64Å; I204-V210 HydrophobicContact CG2-CG2 3.76Å; I204-L233 HydrophobicContact CD1-CD1 4.15Å |
| 205 | M | 97.9 | Very high | 96.1 | Very high | 27 Ų | 27 | 48.1 Ų | 48.1 | 13% | 0.133 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.2 | -47 | 179.5 | -66.3 | -172.2 | -65 | 0 | 0 | 111.9 | F201 D202 N203 Q207 K208 N213 R385 | F201-M205 HydrophobicContact CD1-CE 4.09Å; F201-M205 HydrophobicContact CD1-CG 4.12Å; F201-M205 HydrophobicContact CD1-SD 3.99Å; F201-M205 HydrophobicContact CE1-CE 4.37Å; F201-M205 HydrophobicContact CE1-CG 3.83Å; F201-M205 HydrophobicContact CE1-SD 3.67Å; F201-M205 HydrophobicContact CZ-CG 4.24Å; F201-M205 VanDerWaalsContact O-CG 3.29Å; F201-M205 WeakPolarHBondContact O-CG 3.16Å; F201-M205 PolarHBondContact O-N 2.98Å; D202-M205 HydrophobicContact CB-CE 4.43Å; D202-M205 PolarHBondContact O-N 2.59Å; N203-M205 VanDerWaalsContact C-N 3.33Å; N203-M205 PolarHBondContact O-N 2.98Å; M205-Q207 VanDerWaalsContact C-N 3.28Å; M205-Q207 PolarHBondContact O-N 2.72Å; M205-K208 PolarHBondContact O-N 3.13Å; M205-N213 HydrophobicContact CG-CB 3.93Å; M205-N213 VanDerWaalsContact CG-OD1 3.32Å; M205-N213 WeakPolarHBondContact CG-OD1 3.28Å; M205-N213 HydrophobicContact SD-CB 3.53Å; M205-N213 VanDerWaalsContact SD-CB 3.53Å; M205-N213 VanDerWaalsContact SD-CG 3.6Å; M205-R385 HydrophobicContact CE-CB 4.08Å; M205-R385 HydrophobicContact CE-CG 4.11Å; M205-R385 HydrophobicContact SD-CB 3.5Å; M205-R385 WeakPolarHBondContact SD-CB 3.34Å; M205-R385 HydrophobicContact SD-CG 4Å |
| 206 | S | 98.2 | Very high | 96.8 | Very high | 83 Ų | 83 | 43.4 Ų | 43.4 | 58% | 0.58 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -64.2 | -34.5 | -178.9 | 71.5 | 0 | 0 | 0 | 0 | 112.6 | D202 N203 K208 | D202-S206 WeakPolarHBondContact O-CB 3.31Å; D202-S206 PolarHBondContact O-N 2.7Å; D202-S206 PolarHBondContact O-OG 2.84Å; N203-S206 WeakPolarHBondContact CA-OG 3.38Å; N203-S206 PolarHBondContact O-N 3.32Å; N203-S206 PolarHBondContact O-OG 3.43Å; S206-K208 VanDerWaalsContact C-N 3.27Å; S206-K208 PolarHBondContact O-N 2.82Å |
| 207 | Q | 98.3 | Very high | 97.3 | Very high | 54 Ų | 54 | 41.4 Ų | 41.4 | 25% | 0.252 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 3.3 | 176.6 | -63.1 | 177.9 | 32.5 | 0 | 0 | 112.9 | E161 N203 M205 K209 | E161-Q207 VanDerWaalsContact N-OE1 3.09Å; E161-Q207 PolarHBondContact O-NE2 3.16Å; N203-Q207 VanDerWaalsContact O-CB 3.27Å; N203-Q207 WeakPolarHBondContact O-CB 3.32Å; N203-Q207 VanDerWaalsContact O-CG 3.25Å; N203-Q207 WeakPolarHBondContact O-CG 3.46Å; N203-Q207 PolarHBondContact O-N 3.03Å; M205-Q207 VanDerWaalsContact C-N 3.28Å; M205-Q207 PolarHBondContact O-N 2.72Å; Q207-K209 VanDerWaalsContact C-N 3.28Å; Q207-K209 HydrophobicContact CB-CD 4.35Å; Q207-K209 HydrophobicContact CB-CG 3.77Å; Q207-K209 PolarHBondContact O-N 3.48Å |
| 208 | K | 96.9 | Very high | 97.4 | Very high | 182 Ų | 182 | 42.4 Ų | 42.4 | 79% | 0.791 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 43 | 178.6 | -56.6 | -178.7 | 179.8 | -179.3 | 0 | 113.1 | I204 M205 S206 V210 | I204-K208 PolarHBondContact O-N 2.85Å; I204-K208 VanDerWaalsContact O-N 3.14Å; M205-K208 PolarHBondContact O-N 3.13Å; S206-K208 VanDerWaalsContact C-N 3.27Å; S206-K208 PolarHBondContact O-N 2.82Å; K208-V210 VanDerWaalsContact C-N 3.32Å |
| 209 | K | 96.1 | Very high | 97.3 | Very high | 73 Ų | 73 | 39.4 Ų | 39.4 | 32% | 0.317 | 19% | 0.194 | S | C | . | . | trans | -85.4 | -3.8 | -176.9 | -58.9 | -73.9 | -178.6 | 161 | 0 | 113.5 | I158 A159 E161 I204 Q207 | I158-K209 HydrophobicContact CD1-CB 4.49Å; I158-K209 HydrophobicContact CG2-CB 3.65Å; I158-K209 HydrophobicContact CG2-CD 4.44Å; I158-K209 HydrophobicContact CG2-CG 4.03Å; A159-K209 WeakPolarHBondContact O-CE 3.4Å; A159-K209 PolarHBondContact O-NZ 2.9Å; E161-K209 IonicContact OE1-NZ 3.98Å; I204-K209 HydrophobicContact CG2-CB 4.16Å; I204-K209 PolarHBondContact O-N 3.17Å; Q207-K209 VanDerWaalsContact C-N 3.28Å; Q207-K209 HydrophobicContact CB-CD 4.35Å; Q207-K209 HydrophobicContact CB-CG 3.77Å; Q207-K209 PolarHBondContact O-N 3.48Å | ||
| 210 | V | 94.9 | Very high | 96.9 | Very high | 20 Ų | 20 | 41 Ų | 41 | 12% | 0.121 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -133.4 | 152.3 | 177.1 | -68.4 | 0 | 0 | 0 | 0 | 109.9 | I158 I204 K208 Q212 L233 | I158-V210 HydrophobicContact CD1-CG1 3.7Å; I204-V210 HydrophobicContact CG2-CB 4.3Å; I204-V210 HydrophobicContact CG2-CG1 3.64Å; I204-V210 HydrophobicContact CG2-CG2 3.76Å; K208-V210 VanDerWaalsContact C-N 3.32Å; V210-Q212 WeakPolarHBondContact CG2-O 3.32Å; V210-L233 HydrophobicContact CG1-CB 3.92Å |
| 211 | E | 90.6 | Very high | 96.2 | Very high | 151 Ų | 151 | 43 Ų | 43 | 71% | 0.706 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -69.4 | -47.2 | 179.5 | -173.5 | -175.9 | 171.1 | 0 | 0 | 111.9 | ||
| 212 | Q | 95.9 | Very high | 95.4 | Very high | 91 Ų | 91 | 46 Ų | 46 | 43% | 0.425 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -114.8 | 142 | 175.7 | -58.6 | -175.7 | 3.7 | 0 | 0 | 109.9 | V210 V214 G234 | V210-Q212 WeakPolarHBondContact CG2-O 3.32Å; Q212-V214 HydrophobicContact CB-CG1 4.29Å; Q212-V214 HydrophobicContact CB-CG2 3.97Å; Q212-V214 PolarHBondContact O-N 2.71Å; Q212-G234 WeakPolarHBondContact O-CA 3.32Å |
| 213 | N | 97.6 | Very high | 94.1 | Very high | 50 Ų | 50 | 49.5 Ų | 49.5 | 27% | 0.267 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -78.4 | 56.1 | 177.1 | -73.1 | -13.6 | 0 | 0 | 0 | 110.6 | M205 R385 Q386 | M205-N213 HydrophobicContact CG-CB 3.93Å; M205-N213 VanDerWaalsContact CG-OD1 3.32Å; M205-N213 WeakPolarHBondContact CG-OD1 3.28Å; M205-N213 HydrophobicContact SD-CB 3.53Å; M205-N213 VanDerWaalsContact SD-CB 3.53Å; M205-N213 VanDerWaalsContact SD-CG 3.6Å; N213-R385 WeakPolarHBondContact O-CA 3.36Å; N213-R385 WeakPolarHBondContact O-CB 3.32Å; N213-R385 PolarHBondContact O-N 2.04Å; N213-Q386 HydrophobicContact CB-CB 4.11Å; N213-Q386 PolarHBondContact O-N 2.9Å |
| 214 | V | 98.2 | Very high | 93 | Very high | 6 Ų | 6 | 56.7 Ų | 56.7 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 153.6 | 179.9 | -47.7 | 0 | 0 | 0 | 0 | 109.7 | Q212 G234 V382 F383 D384 | Q212-V214 HydrophobicContact CB-CG1 4.29Å; Q212-V214 HydrophobicContact CB-CG2 3.97Å; Q212-V214 PolarHBondContact O-N 2.71Å; V214-G234 PolarHBondContact O-N 2.85Å; V214-V382 HydrophobicContact CB-CG1 4.32Å; V214-F383 WeakPolarHBondContact CA-O 3.49Å; V214-D384 HydrophobicContact CG1-CB 4.02Å |
| 215 | F | 98.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 159.8 | 163.7 | 61 | -90.7 | 0 | 0 | 0 | 109.4 | T95 M187 F201 F217 L231 L232 L233 W256 F383 | T95-F215 HydrophobicContact CG2-CE2 3.78Å; T95-F215 HydrophobicContact CG2-CZ 4.09Å; M187-F215 HydrophobicContact CB-CE2 4.3Å; M187-F215 HydrophobicContact CB-CZ 4.02Å; M187-F215 HydrophobicContact CE-CB 4.35Å; M187-F215 HydrophobicContact CE-CD1 3.88Å; M187-F215 HydrophobicContact CE-CD2 3.67Å; M187-F215 HydrophobicContact CE-CE1 4.02Å; M187-F215 HydrophobicContact CE-CE2 3.81Å; M187-F215 HydrophobicContact CE-CG 3.7Å; M187-F215 HydrophobicContact CE-CZ 3.99Å; M187-F215 WeakPolarHBondContact O-CZ 3.48Å; F201-F215 AromaticContact CD1-CD1 3.81Å; F201-F215 HydrophobicContact CD1-CD1 3.81Å; F201-F215 AromaticContact CD1-CE1 3.95Å; F201-F215 HydrophobicContact CD1-CE1 3.95Å; F201-F215 AromaticContact CD2-CD1 3.99Å; F201-F215 HydrophobicContact CD2-CD1 3.99Å; F201-F215 AromaticContact CE1-CD1 3.67Å; F201-F215 HydrophobicContact CE1-CD1 3.67Å; F201-F215 HydrophobicContact CE1-CE1 4.13Å; F201-F215 HydrophobicContact CE2-CB 4.14Å; F201-F215 AromaticContact CE2-CD1 3.86Å; F201-F215 HydrophobicContact CE2-CD1 3.86Å; F201-F215 HydrophobicContact CE2-CG 4.47Å; F201-F215 AromaticContact CG-CD1 3.97Å; F201-F215 HydrophobicContact CG-CD1 3.97Å; F201-F215 HydrophobicContact CG-CE1 4.24Å; F201-F215 HydrophobicContact CZ-CB 4.36Å; F201-F215 AromaticContact CZ-CD1 3.7Å; F201-F215 HydrophobicContact CZ-CD1 3.7Å; F215-F217 HydrophobicContact CD2-CD2 4.09Å; F215-F217 AromaticContact CD2-CE2 3.71Å; F215-F217 HydrophobicContact CD2-CE2 3.71Å; F215-F217 HydrophobicContact CE2-CD2 4.32Å; F215-F217 AromaticContact CE2-CE2 3.79Å; F215-F217 HydrophobicContact CE2-CE2 3.79Å; F215-L231 HydrophobicContact CB-CD1 4.05Å; F215-L231 HydrophobicContact CD2-CD1 4.11Å; F215-L231 HydrophobicContact CG-CD1 4.47Å; F215-L232 CarbonylContact C-O 3.51Å; F215-L232 WeakPolarHBondContact CA-O 3.4Å; F215-L232 WeakPolarHBondContact CB-O 3.49Å; F215-L233 HydrophobicContact CB-CD2 3.75Å; F215-W256 HydrophobicContact CE1-CH2 4.21Å; F215-W256 AromaticContact CE1-CZ2 3.6Å; F215-W256 HydrophobicContact CE1-CZ2 3.6Å; F215-W256 AromaticContact CZ-CE2 3.89Å; F215-W256 HydrophobicContact CZ-CH2 4.38Å; F215-W256 AromaticContact CZ-CZ2 3.55Å; F215-W256 HydrophobicContact CZ-CZ2 3.55Å; F215-W256 AromaticContact CZ-NE1 3.96Å; F215-F383 HydrophobicContact CD1-CB 4.12Å; F215-F383 HydrophobicContact CD2-CB 3.81Å; F215-F383 AromaticContact CD2-CD2 3.66Å; F215-F383 HydrophobicContact CD2-CD2 3.66Å; F215-F383 HydrophobicContact CD2-CG 4.03Å; F215-F383 HydrophobicContact CE1-CB 3.73Å; F215-F383 HydrophobicContact CE2-CB 3.37Å; F215-F383 HydrophobicContact CE2-CD1 4.23Å; F215-F383 AromaticContact CE2-CD2 3.26Å; F215-F383 HydrophobicContact CE2-CD2 3.26Å; F215-F383 HydrophobicContact CE2-CE2 4.04Å; F215-F383 AromaticContact CE2-CG 3.36Å; F215-F383 HydrophobicContact CE2-CG 3.36Å; F215-F383 HydrophobicContact CG-CB 4.17Å; F215-F383 HydrophobicContact CZ-CB 3.32Å; F215-F383 HydrophobicContact CZ-CD1 4.31Å; F215-F383 HydrophobicContact CZ-CD2 4.07Å; F215-F383 AromaticContact CZ-CG 3.66Å; F215-F383 HydrophobicContact CZ-CG 3.66Å; F215-F383 PolarHBondContact N-O 3.12Å; F215-F383 VanDerWaalsContact N-O 3.09Å; F215-F383 PolarHBondContact O-N 3.22Å |
| 216 | S | 98.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 154.8 | -177.6 | 64.2 | 0 | 0 | 0 | 0 | 113.2 | L231 L232 G235 Y380 T381 | S216-L231 WeakPolarHBondContact O-CA 3.33Å; S216-L232 PolarHBondContact N-O 3.18Å; S216-L232 PolarHBondContact O-N 3.35Å; S216-G235 PolarHBondContact OG-O 2.96Å; S216-Y380 WeakPolarHBondContact OG-CE1 3.42Å; S216-Y380 PolarHBondContact OG-OH 2.93Å; S216-T381 CarbonylContact C-O 3.51Å; S216-T381 WeakPolarHBondContact CA-O 3.37Å; S216-T381 VanDerWaalsContact CB-O 3.27Å; S216-T381 WeakPolarHBondContact CB-O 3.06Å |
| 217 | F | 98.4 | Very high | 90.7 | Very high | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.018 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 128.2 | -178.9 | -78.9 | -96.5 | 0 | 0 | 0 | 111 | L24 F93 T95 F215 L219 L231 T282 I376 T381 F383 | L24-F217 HydrophobicContact CD1-CD1 3.76Å; L24-F217 HydrophobicContact CD1-CE1 3.83Å; F93-F217 HydrophobicContact CB-CE1 4.1Å; F93-F217 HydrophobicContact CB-CZ 3.75Å; T95-F217 HydrophobicContact CG2-CE2 4.27Å; F215-F217 HydrophobicContact CD2-CD2 4.09Å; F215-F217 AromaticContact CD2-CE2 3.71Å; F215-F217 HydrophobicContact CD2-CE2 3.71Å; F215-F217 HydrophobicContact CE2-CD2 4.32Å; F215-F217 AromaticContact CE2-CE2 3.79Å; F215-F217 HydrophobicContact CE2-CE2 3.79Å; F217-L219 HydrophobicContact CD1-CD2 4.18Å; F217-L231 HydrophobicContact CD1-CB 4.41Å; F217-L231 HydrophobicContact CD2-CD1 4.09Å; F217-L231 HydrophobicContact CE1-CB 4.07Å; F217-L231 HydrophobicContact CE1-CD1 4.3Å; F217-L231 HydrophobicContact CE2-CD1 3.64Å; F217-L231 HydrophobicContact CZ-CB 4.32Å; F217-L231 HydrophobicContact CZ-CD1 3.76Å; F217-L231 HydrophobicContact CZ-CD2 4.39Å; F217-L231 HydrophobicContact CZ-CG 4.38Å; F217-T282 HydrophobicContact CB-CG2 4.39Å; F217-T282 HydrophobicContact CD1-CG2 3.85Å; F217-T282 HydrophobicContact CD2-CG2 3.82Å; F217-T282 HydrophobicContact CE1-CG2 3.96Å; F217-T282 HydrophobicContact CE2-CG2 3.9Å; F217-T282 HydrophobicContact CG-CG2 3.76Å; F217-T282 HydrophobicContact CZ-CG2 3.96Å; F217-I376 HydrophobicContact CB-CG2 4.25Å; F217-T381 PolarHBondContact N-O 2.92Å; F217-T381 PolarHBondContact O-N 3.45Å; F217-F383 HydrophobicContact CD2-CD2 4.03Å; F217-F383 AromaticContact CD2-CE2 3.65Å; F217-F383 HydrophobicContact CD2-CE2 3.65Å; F217-F383 HydrophobicContact CE2-CE2 4.24Å |
| 218 | Y | 97.4 | Very high | 90.3 | Very high | 27 Ų | 27 | 59.2 Ų | 59.2 | 11% | 0.106 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 122.8 | 158.3 | 167.7 | -109.8 | 0 | 0 | 0 | 108.1 | N220 G229 E230 Y240 Y380 S395 | Y218-N220 HydrophobicContact CE1-CB 3.81Å; Y218-G229 CarbonylContact O-C 3.54Å; Y218-G229 WeakPolarHBondContact O-CA 3.24Å; Y218-E230 PolarHBondContact N-O 2.98Å; Y218-E230 PolarHBondContact O-N 2.79Å; Y218-Y240 AromaticContact CD1-CD1 3.62Å; Y218-Y240 HydrophobicContact CD1-CD1 3.62Å; Y218-Y240 HydrophobicContact CD1-CD2 4.35Å; Y218-Y240 AromaticContact CD1-CE1 3.75Å; Y218-Y240 HydrophobicContact CD1-CE1 3.75Å; Y218-Y240 HydrophobicContact CD1-CE2 4.47Å; Y218-Y240 AromaticContact CD1-CG 3.96Å; Y218-Y240 HydrophobicContact CD1-CG 3.96Å; Y218-Y240 AromaticContact CD2-CD1 3.81Å; Y218-Y240 HydrophobicContact CD2-CD1 3.81Å; Y218-Y240 AromaticContact CD2-CG 3.84Å; Y218-Y240 HydrophobicContact CD2-CG 3.84Å; Y218-Y240 AromaticContact CE1-CD1 3.6Å; Y218-Y240 HydrophobicContact CE1-CD1 3.6Å; Y218-Y240 AromaticContact CE1-CE1 3.63Å; Y218-Y240 HydrophobicContact CE1-CE1 3.63Å; Y218-Y240 HydrophobicContact CE1-CG 4.38Å; Y218-Y240 AromaticContact CE2-CD1 3.78Å; Y218-Y240 HydrophobicContact CE2-CD1 3.78Å; Y218-Y240 HydrophobicContact CE2-CG 4.26Å; Y218-Y240 AromaticContact CG-CD1 3.71Å; Y218-Y240 HydrophobicContact CG-CD1 3.71Å; Y218-Y240 HydrophobicContact CG-CD2 4.16Å; Y218-Y240 HydrophobicContact CG-CE1 4.3Å; Y218-Y240 AromaticContact CG-CG 3.66Å; Y218-Y240 HydrophobicContact CG-CG 3.66Å; Y218-Y240 AromaticContact CZ-CD1 3.67Å; Y218-Y380 HydrophobicContact CD2-CD2 4.37Å; Y218-S395 WeakPolarHBondContact CD2-OG 3.39Å; Y218-S395 WeakPolarHBondContact CE2-OG 3.46Å |
| 219 | L | 95.6 | Very high | 90.3 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 111.5 | 176.5 | -59.4 | -178 | 0 | 0 | 0 | 109.3 | L24 Y76 F217 R221 D373 I376 G377 | L24-L219 HydrophobicContact CD1-CD2 3.83Å; Y76-L219 HydrophobicContact CD1-CD2 4.17Å; Y76-L219 HydrophobicContact CD2-CD1 4.24Å; Y76-L219 HydrophobicContact CD2-CD2 4.03Å; Y76-L219 HydrophobicContact CE1-CD2 4.41Å; Y76-L219 HydrophobicContact CE2-CB 4.4Å; Y76-L219 HydrophobicContact CE2-CD1 4.11Å; Y76-L219 HydrophobicContact CE2-CD2 4.29Å; Y76-L219 HydrophobicContact CG-CD2 3.98Å; F217-L219 HydrophobicContact CD1-CD2 4.18Å; L219-R221 PolarHBondContact O-N 2.94Å; L219-D373 HydrophobicContact CD1-CB 3.94Å; L219-D373 WeakPolarHBondContact CD1-OD1 3.47Å; L219-I376 HydrophobicContact CD1-CB 3.98Å; L219-I376 HydrophobicContact CD1-CG2 3.62Å; L219-I376 HydrophobicContact CG-CG2 3.94Å; L219-G377 WeakPolarHBondContact O-CA 3.38Å |
| 220 | N | 89.9 | Confident | 90.3 | Very high | 34 Ų | 34 | 48 Ų | 48 | 18% | 0.182 | 24% | 0.244 | C | C | . | . | trans | -84.8 | 111.6 | 175.1 | -172.9 | -10.2 | 0 | 0 | 0 | 109.7 | Y76 Y218 N222 T225 G228 | Y76-N220 PolarHBondContact OH-O 3.22Å; Y218-N220 HydrophobicContact CE1-CB 3.81Å; N220-N222 VanDerWaalsContact C-N 3.25Å; N220-N222 PolarHBondContact O-N 3.05Å; N220-N222 WeakPolarHBondContact OD1-CB 3.17Å; N220-N222 PolarHBondContact OD1-N 3.33Å; N220-T225 VanDerWaalsContact CG-OG1 3.3Å; N220-T225 WeakPolarHBondContact ND2-CB 3.3Å; N220-T225 PolarHBondContact ND2-OG1 3.49Å; N220-G228 CarbonylContact C-O 3.53Å; N220-G228 WeakPolarHBondContact CA-O 3.33Å; N220-G228 VanDerWaalsContact CB-O 3.28Å; N220-G228 WeakPolarHBondContact CB-O 3.3Å; N220-G228 PolarHBondContact N-O 3.41Å | ||
| 221 | R | 82.7 | Confident | 90.4 | Very high | 43 Ų | 43 | 47.1 Ų | 47.1 | 16% | 0.162 | 24% | 0.238 | C | C | . | . | trans | -77.9 | -8.9 | -176.9 | -68.8 | -170.6 | 56.7 | -162.3 | -14.4 | 113.8 | K26 L219 P223 Q339 V374 | K26-R221 PolarHBondContact NZ-O 2.95Å; L219-R221 PolarHBondContact O-N 2.94Å; R221-P223 WeakPolarHBondContact O-CD 3.48Å; R221-Q339 PolarHBondContact NH1-O 3.21Å; R221-Q339 PolarHBondContact NH2-O 3.3Å; R221-V374 PolarHBondContact NH1-O 2.76Å | ||
| 222 | N | 81.4 | Confident | 90.7 | Very high | 66 Ų | 66 | 39.9 Ų | 39.9 | 35% | 0.353 | 21% | 0.205 | S | C | . | . | trans | -73 | 115.7 | 173.5 | -175.8 | -6.2 | 0 | 0 | 0 | 110.2 | N220 E224 T225 | N220-N222 VanDerWaalsContact C-N 3.25Å; N220-N222 PolarHBondContact O-N 3.05Å; N220-N222 WeakPolarHBondContact OD1-CB 3.17Å; N220-N222 PolarHBondContact OD1-N 3.33Å; N222-E224 PolarHBondContact O-N 3.37Å; N222-E224 WeakPolarHBondContact OD1-CB 3.43Å; N222-E224 PolarHBondContact OD1-N 3.36Å; N222-T225 HydrophobicContact CB-CG2 4.26Å; N222-T225 WeakPolarHBondContact CB-OG1 3.39Å; N222-T225 PolarHBondContact O-N 2.8Å; N222-T225 PolarHBondContact O-OG1 2.87Å | ||
| 223 | P | 71.6 | Confident | 90.8 | Very high | 99 Ų | 99 | 35.7 Ų | 35.7 | 64% | 0.643 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -11.4 | 179.9 | 31.4 | -36.3 | 0 | 0 | 0 | 114.1 | R221 | R221-P223 WeakPolarHBondContact O-CD 3.48Š|
| 224 | E | 75.5 | Confident | 90.8 | Very high | 175 Ų | 175 | 33.6 Ų | 33.6 | 82% | 0.818 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -5.5 | -178 | -57.7 | -176 | 168.3 | 0 | 0 | 113.4 | N222 | N222-E224 PolarHBondContact O-N 3.37Å; N222-E224 WeakPolarHBondContact OD1-CB 3.43Å; N222-E224 PolarHBondContact OD1-N 3.36Å |
| 225 | T | 79 | Confident | 90.6 | Very high | 46 Ų | 46 | 33.6 Ų | 33.6 | 28% | 0.282 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -109.9 | 134.2 | -174.7 | 47.8 | 0 | 0 | 0 | 0 | 111.8 | N220 N222 | N220-T225 VanDerWaalsContact CG-OG1 3.3Å; N220-T225 WeakPolarHBondContact ND2-CB 3.3Å; N220-T225 PolarHBondContact ND2-OG1 3.49Å; N222-T225 HydrophobicContact CB-CG2 4.26Å; N222-T225 WeakPolarHBondContact CB-OG1 3.39Å; N222-T225 PolarHBondContact O-N 2.8Å; N222-T225 PolarHBondContact O-OG1 2.87Å |
| 226 | E | 81.9 | Confident | 90.5 | Very high | 127 Ų | 127 | 35.4 Ų | 35.4 | 59% | 0.593 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -118.8 | 136.6 | 173.2 | -71.6 | -69.6 | 174.4 | 0 | 0 | 110.7 | G228 | E226-G228 PolarHBondContact OE2-N 3.35Š|
| 227 | P | 86.5 | Confident | 90.4 | Very high | 47 Ų | 47 | 36.3 Ų | 36.3 | 31% | 0.305 | 19% | 0.192 | S | C | . | . | S | Bend | cis | -70.5 | 146.7 | -1.1 | 32.5 | -36.1 | 0 | 0 | 0 | 111.9 | P23 G229 E230 | P23-P227 HydrophobicContact CB-CB 3.92Å; P227-G229 WeakPolarHBondContact CB-O 3.4Å; P227-G229 PolarHBondContact O-N 3.42Å; P227-E230 HydrophobicContact CG-CG 4.1Å |
| 228 | G | 89.9 | Confident | 90.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -63.8 | -14.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | L24 Y76 N220 E226 | L24-G228 CarbonylContact O-C 3.54Å; L24-G228 WeakPolarHBondContact O-CA 3.43Å; L24-G228 PolarHBondContact O-N 2.99Å; Y76-G228 VanDerWaalsContact CE1-O 3.29Å; Y76-G228 WeakPolarHBondContact CE1-O 3Å; N220-G228 CarbonylContact C-O 3.53Å; N220-G228 WeakPolarHBondContact CA-O 3.33Å; N220-G228 VanDerWaalsContact CB-O 3.28Å; N220-G228 WeakPolarHBondContact CB-O 3.3Å; N220-G228 PolarHBondContact N-O 3.41Å; E226-G228 PolarHBondContact OE2-N 3.35Å |
| 229 | G | 94.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.2 | -178.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L24 Y218 P227 | L24-G229 PolarHBondContact N-O 2.79Å; L24-G229 PolarHBondContact O-N 3.39Å; Y218-G229 CarbonylContact O-C 3.54Å; Y218-G229 WeakPolarHBondContact O-CA 3.24Å; P227-G229 WeakPolarHBondContact CB-O 3.4Å; P227-G229 PolarHBondContact O-N 3.42Å |
| 230 | E | 96.5 | Very high | 90.1 | Very high | 20 Ų | 20 | 45.6 Ų | 45.6 | 9% | 0.093 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 135.6 | 170.8 | -67.5 | -161.7 | 113.7 | 0 | 0 | 110.6 | R21 I22 Y218 P227 L232 Y240 | R21-E230 IonicContact NH1-OE2 3.57Å; I22-E230 WeakPolarHBondContact O-CA 3.49Å; Y218-E230 PolarHBondContact N-O 2.98Å; Y218-E230 PolarHBondContact O-N 2.79Å; P227-E230 HydrophobicContact CG-CG 4.1Å; E230-L232 HydrophobicContact CB-CD1 3.82Å; E230-Y240 WeakPolarHBondContact OE2-CE2 3.34Å; E230-Y240 PolarHBondContact OE2-OH 3.28Å |
| 231 | L | 97.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 129 | 159.8 | 162.6 | 65.9 | 0 | 0 | 0 | 107.8 | I22 L24 F93 M187 F215 S216 F217 L233 | I22-L231 HydrophobicContact CB-CB 4.15Å; I22-L231 HydrophobicContact CB-CD2 4.47Å; I22-L231 HydrophobicContact CB-CG 4.48Å; I22-L231 HydrophobicContact CD1-CD2 4.28Å; I22-L231 HydrophobicContact CD1-CG 4.15Å; I22-L231 HydrophobicContact CG1-CD2 4.46Å; I22-L231 PolarHBondContact N-O 3.49Å; I22-L231 PolarHBondContact O-N 2.92Å; L24-L231 HydrophobicContact CD1-CB 4.39Å; L24-L231 HydrophobicContact CD2-CB 4.31Å; L24-L231 HydrophobicContact CG-CB 4.49Å; F93-L231 HydrophobicContact CB-CD2 4.38Å; F93-L231 HydrophobicContact CD1-CD2 3.43Å; F93-L231 VanDerWaalsContact CD1-CD2 3.43Å; F93-L231 HydrophobicContact CD2-CD2 4.12Å; F93-L231 HydrophobicContact CE1-CD2 3.58Å; F93-L231 HydrophobicContact CE2-CD2 4.25Å; F93-L231 HydrophobicContact CG-CD2 3.72Å; F93-L231 HydrophobicContact CZ-CD2 4.01Å; M187-L231 HydrophobicContact CE-CD1 4.3Å; M187-L231 HydrophobicContact CE-CD2 4.39Å; F215-L231 HydrophobicContact CB-CD1 4.05Å; F215-L231 HydrophobicContact CD2-CD1 4.11Å; F215-L231 HydrophobicContact CG-CD1 4.47Å; S216-L231 WeakPolarHBondContact O-CA 3.33Å; F217-L231 HydrophobicContact CD1-CB 4.41Å; F217-L231 HydrophobicContact CD2-CD1 4.09Å; F217-L231 HydrophobicContact CE1-CB 4.07Å; F217-L231 HydrophobicContact CE1-CD1 4.3Å; F217-L231 HydrophobicContact CE2-CD1 3.64Å; F217-L231 HydrophobicContact CZ-CB 4.32Å; F217-L231 HydrophobicContact CZ-CD1 3.76Å; F217-L231 HydrophobicContact CZ-CD2 4.39Å; F217-L231 HydrophobicContact CZ-CG 4.38Å; L231-L233 HydrophobicContact CD1-CD2 4Å; L231-L233 HydrophobicContact CD2-CD2 4.23Å; L231-L233 HydrophobicContact CG-CD2 4.17Å |
| 232 | L | 97.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 133.2 | 172.4 | -67.3 | 81.5 | 0 | 0 | 0 | 109.4 | L19 V20 R21 F215 S216 E230 D237 | L19-L232 HydrophobicContact CD1-CD2 4.13Å; V20-L232 WeakPolarHBondContact O-CA 3.41Å; R21-L232 HydrophobicContact CG-CD2 4.42Å; R21-L232 HydrophobicContact CG-CG 4.28Å; F215-L232 CarbonylContact C-O 3.51Å; F215-L232 WeakPolarHBondContact CA-O 3.4Å; F215-L232 WeakPolarHBondContact CB-O 3.49Å; S216-L232 PolarHBondContact N-O 3.18Å; S216-L232 PolarHBondContact O-N 3.35Å; E230-L232 HydrophobicContact CB-CD1 3.82Å; L232-D237 HydrophobicContact CD2-CB 3.7Å |
| 233 | L | 97.7 | Very high | 91.7 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 129.9 | 172.6 | -53.4 | 174.7 | 0 | 0 | 0 | 108.7 | V20 I22 I155 I158 M187 F201 I204 V210 F215 L231 | V20-L233 HydrophobicContact CB-CB 4.23Å; V20-L233 HydrophobicContact CG1-CD1 4.35Å; V20-L233 PolarHBondContact O-N 3.16Å; I22-L233 HydrophobicContact CD1-CD1 3.86Å; I22-L233 HydrophobicContact CD1-CG 3.84Å; I155-L233 HydrophobicContact CG2-CD1 4.19Å; I158-L233 HydrophobicContact CD1-CB 4.41Å; I158-L233 HydrophobicContact CD1-CD1 3.95Å; M187-L233 HydrophobicContact CE-CD2 4.3Å; F201-L233 HydrophobicContact CD2-CD2 4.22Å; F201-L233 HydrophobicContact CE2-CD2 4.1Å; I204-L233 HydrophobicContact CD1-CD1 4.15Å; V210-L233 HydrophobicContact CG1-CB 3.92Å; F215-L233 HydrophobicContact CB-CD2 3.75Å; L231-L233 HydrophobicContact CD1-CD2 4Å; L231-L233 HydrophobicContact CD2-CD2 4.23Å; L231-L233 HydrophobicContact CG-CD2 4.17Å |
| 234 | G | 96.1 | Very high | 92.9 | Very high | 5 Ų | 5 | 47.6 Ų | 47.6 | 5% | 0.052 | 27% | 0.265 | C | S | . | . | S | Bend | trans | 93.2 | 2.1 | 176 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q212 V214 | Q212-G234 WeakPolarHBondContact O-CA 3.32Å; V214-G234 PolarHBondContact O-N 2.85Å |
| 235 | G | 95.5 | Very high | 94 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 6% | 0.062 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 169.5 | -156.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S216 | S216-G235 PolarHBondContact OG-O 2.96Š|
| 236 | T | 96.4 | Very high | 94.9 | Very high | 38 Ų | 38 | 42.4 Ų | 42.4 | 23% | 0.233 | 24% | 0.237 | C | C | . | . | trans | -131.2 | 161 | -177.6 | 61.7 | 0 | 0 | 0 | 0 | 111.1 | L19 F245 Y380 V382 | L19-T236 WeakPolarHBondContact CD1-O 3.21Å; T236-F245 HydrophobicContact CG2-CE2 3.95Å; T236-F245 HydrophobicContact CG2-CZ 3.99Å; T236-Y380 HydrophobicContact CG2-CE1 4.06Å; T236-V382 HydrophobicContact CG2-CG1 4.43Å; T236-V382 HydrophobicContact CG2-CG2 3.35Å | ||
| 237 | D | 95.3 | Very high | 95.7 | Very high | 20 Ų | 20 | 40.5 Ų | 40.5 | 11% | 0.107 | 23% | 0.225 | C | C | . | . | trans | -116.9 | 113.9 | 173.9 | -172.9 | -14.5 | 0 | 0 | 0 | 112.1 | R21 L232 K239 Y240 Y241 Y380 | R21-D237 IonicContact CZ-OD2 2.76Å; R21-D237 IonicContact NH1-OD2 3.18Å; R21-D237 PolarHBondContact NH1-OD2 2.7Å; R21-D237 IonicContact NH2-OD2 3.59Å; R21-D237 PolarHBondContact NH2-OD2 3.37Å; L232-D237 HydrophobicContact CD2-CB 3.7Å; D237-K239 PolarHBondContact O-N 2.9Å; D237-K239 WeakPolarHBondContact OD1-CB 3.39Å; D237-K239 PolarHBondContact OD1-N 2.98Å; D237-Y240 HydrophobicContact CB-CD2 3.82Å; D237-Y240 HydrophobicContact CB-CE2 4.13Å; D237-Y240 PolarHBondContact O-N 3Å; D237-Y241 VanDerWaalsContact C-CE1 3.46Å; D237-Y241 VanDerWaalsContact O-CD1 3.22Å; D237-Y241 WeakPolarHBondContact O-CD1 3.27Å; D237-Y241 WeakPolarHBondContact O-CE1 3.25Å; D237-Y380 PolarHBondContact N-OH 3.45Å | ||
| 238 | P | 95.4 | Very high | 96.2 | Very high | 79 Ų | 79 | 39 Ų | 39 | 51% | 0.513 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -54.9 | -17.8 | 176.1 | -25.5 | 34.5 | 0 | 0 | 0 | 115.2 | Y240 Y241 K396 | P238-Y240 PolarHBondContact O-N 2.81Å; P238-Y241 HydrophobicContact CB-CE1 4.33Å; P238-Y241 HydrophobicContact CG-CE1 4.39Å; P238-K396 PolarHBondContact O-NZ 2.89Å |
| 239 | K | 94.8 | Very high | 96.6 | Very high | 133 Ų | 133 | 44.5 Ų | 44.5 | 58% | 0.578 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -58.1 | -34.2 | 171.7 | -178.5 | -173.7 | 168.4 | -160.5 | 0 | 112.2 | D237 K396 | D237-K239 PolarHBondContact O-N 2.9Å; D237-K239 WeakPolarHBondContact OD1-CB 3.39Å; D237-K239 PolarHBondContact OD1-N 2.98Å; K239-K396 WeakPolarHBondContact O-CD 3.33Å |
| 240 | Y | 95.3 | Very high | 96.7 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -101.1 | -2 | -169.1 | -63.5 | -52.7 | 0 | 0 | 0 | 115.2 | Y218 E230 D237 P238 Y380 S395 K396 | Y218-Y240 AromaticContact CD1-CD1 3.62Å; Y218-Y240 HydrophobicContact CD1-CD1 3.62Å; Y218-Y240 HydrophobicContact CD1-CD2 4.35Å; Y218-Y240 AromaticContact CD1-CE1 3.75Å; Y218-Y240 HydrophobicContact CD1-CE1 3.75Å; Y218-Y240 HydrophobicContact CD1-CE2 4.47Å; Y218-Y240 AromaticContact CD1-CG 3.96Å; Y218-Y240 HydrophobicContact CD1-CG 3.96Å; Y218-Y240 AromaticContact CD2-CD1 3.81Å; Y218-Y240 HydrophobicContact CD2-CD1 3.81Å; Y218-Y240 AromaticContact CD2-CG 3.84Å; Y218-Y240 HydrophobicContact CD2-CG 3.84Å; Y218-Y240 AromaticContact CE1-CD1 3.6Å; Y218-Y240 HydrophobicContact CE1-CD1 3.6Å; Y218-Y240 AromaticContact CE1-CE1 3.63Å; Y218-Y240 HydrophobicContact CE1-CE1 3.63Å; Y218-Y240 HydrophobicContact CE1-CG 4.38Å; Y218-Y240 AromaticContact CE2-CD1 3.78Å; Y218-Y240 HydrophobicContact CE2-CD1 3.78Å; Y218-Y240 HydrophobicContact CE2-CG 4.26Å; Y218-Y240 AromaticContact CG-CD1 3.71Å; Y218-Y240 HydrophobicContact CG-CD1 3.71Å; Y218-Y240 HydrophobicContact CG-CD2 4.16Å; Y218-Y240 HydrophobicContact CG-CE1 4.3Å; Y218-Y240 AromaticContact CG-CG 3.66Å; Y218-Y240 HydrophobicContact CG-CG 3.66Å; Y218-Y240 AromaticContact CZ-CD1 3.67Å; E230-Y240 WeakPolarHBondContact OE2-CE2 3.34Å; E230-Y240 PolarHBondContact OE2-OH 3.28Å; D237-Y240 HydrophobicContact CB-CD2 3.82Å; D237-Y240 HydrophobicContact CB-CE2 4.13Å; D237-Y240 PolarHBondContact O-N 3Å; P238-Y240 PolarHBondContact O-N 2.81Å; Y240-Y380 VanDerWaalsContact CB-CD2 3.49Å; Y240-Y380 VanDerWaalsContact CB-CE2 3.49Å; Y240-Y380 HydrophobicContact CD2-CE2 4.05Å; Y240-Y380 HydrophobicContact CG-CE2 4.2Å; Y240-S395 WeakPolarHBondContact O-CA 3.37Å; Y240-K396 PolarHBondContact O-N 2.77Å |
| 241 | Y | 97 | Very high | 96.5 | Very high | 39 Ų | 39 | 47.5 Ų | 47.5 | 15% | 0.153 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 160.7 | 179 | 69.3 | -90.6 | 0 | 0 | 0 | 112.9 | D237 P238 F245 Y380 A393 K394 K396 | D237-Y241 VanDerWaalsContact C-CE1 3.46Å; D237-Y241 VanDerWaalsContact O-CD1 3.22Å; D237-Y241 WeakPolarHBondContact O-CD1 3.27Å; D237-Y241 WeakPolarHBondContact O-CE1 3.25Å; P238-Y241 HydrophobicContact CB-CE1 4.33Å; P238-Y241 HydrophobicContact CG-CE1 4.39Å; Y241-F245 HydrophobicContact CD1-CE2 4.01Å; Y241-F245 AromaticContact CD1-CZ 3.96Å; Y241-F245 HydrophobicContact CD1-CZ 3.96Å; Y241-F245 HydrophobicContact CD2-CE2 4.07Å; Y241-F245 HydrophobicContact CD2-CZ 4.39Å; Y241-F245 AromaticContact CE1-CE2 3.69Å; Y241-F245 HydrophobicContact CE1-CE2 3.69Å; Y241-F245 HydrophobicContact CE1-CZ 4.07Å; Y241-F245 HydrophobicContact CE2-CD2 4.29Å; Y241-F245 AromaticContact CE2-CE2 3.78Å; Y241-F245 HydrophobicContact CE2-CE2 3.78Å; Y241-F245 HydrophobicContact CG-CE2 4.19Å; Y241-F245 HydrophobicContact CG-CZ 4.13Å; Y241-F245 AromaticContact CZ-CE2 3.59Å; Y241-Y380 HydrophobicContact CD1-CG 4.49Å; Y241-A393 HydrophobicContact CD2-CB 3.92Å; Y241-A393 HydrophobicContact CG-CB 4.13Å; Y241-K394 CarbonylContact C-O 3.54Å; Y241-K394 VanDerWaalsContact CA-O 3.25Å; Y241-K394 WeakPolarHBondContact CA-O 3.32Å; Y241-K396 WeakPolarHBondContact O-CD 3.49Å; Y241-K396 WeakPolarHBondContact O-CE 3.45Å; Y241-K396 PolarHBondContact O-NZ 2.96Å |
| 242 | S | 96.9 | Very high | 96.1 | Very high | 54 Ų | 54 | 50.4 Ų | 50.4 | 38% | 0.378 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 152.7 | 172.7 | 55.2 | 0 | 0 | 0 | 0 | 110.4 | K394 | S242-K394 PolarHBondContact N-O 3.18Å; S242-K394 PolarHBondContact OG-O 3.28Å |
| 243 | G | 94.9 | Very high | 95.8 | Very high | 59 Ų | 59 | 54.7 Ų | 54.7 | 61% | 0.608 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 72.5 | -167.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 244 | D | 95.8 | Very high | 95.4 | Very high | 132 Ų | 132 | 54.6 Ų | 54.6 | 71% | 0.706 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 157.6 | -179.9 | -62.4 | -43.9 | 0 | 0 | 0 | 111.5 | ||
| 245 | F | 97.8 | Very high | 95.1 | Very high | 33 Ų | 33 | 54.4 Ų | 54.4 | 15% | 0.145 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 130.7 | 170.2 | -78.3 | -79.5 | 0 | 0 | 0 | 111.1 | T236 Y241 Y247 Y380 V382 A393 | T236-F245 HydrophobicContact CG2-CE2 3.95Å; T236-F245 HydrophobicContact CG2-CZ 3.99Å; Y241-F245 HydrophobicContact CD1-CE2 4.01Å; Y241-F245 AromaticContact CD1-CZ 3.96Å; Y241-F245 HydrophobicContact CD1-CZ 3.96Å; Y241-F245 HydrophobicContact CD2-CE2 4.07Å; Y241-F245 HydrophobicContact CD2-CZ 4.39Å; Y241-F245 AromaticContact CE1-CE2 3.69Å; Y241-F245 HydrophobicContact CE1-CE2 3.69Å; Y241-F245 HydrophobicContact CE1-CZ 4.07Å; Y241-F245 HydrophobicContact CE2-CD2 4.29Å; Y241-F245 AromaticContact CE2-CE2 3.78Å; Y241-F245 HydrophobicContact CE2-CE2 3.78Å; Y241-F245 HydrophobicContact CG-CE2 4.19Å; Y241-F245 HydrophobicContact CG-CZ 4.13Å; Y241-F245 AromaticContact CZ-CE2 3.59Å; F245-Y247 HydrophobicContact CB-CD2 4.09Å; F245-Y247 HydrophobicContact CB-CE2 3.45Å; F245-Y247 VanDerWaalsContact CB-CE2 3.45Å; F245-Y247 HydrophobicContact CG-CE2 4.38Å; F245-Y380 AromaticContact CE1-CD1 3.73Å; F245-Y380 HydrophobicContact CE1-CD1 3.73Å; F245-Y380 HydrophobicContact CE1-CE1 4.41Å; F245-Y380 AromaticContact CZ-CD1 3.49Å; F245-Y380 HydrophobicContact CZ-CD1 3.49Å; F245-Y380 VanDerWaalsContact CZ-CD1 3.49Å; F245-Y380 AromaticContact CZ-CE1 3.86Å; F245-Y380 HydrophobicContact CZ-CE1 3.86Å; F245-Y380 HydrophobicContact CZ-CG 4.33Å; F245-V382 HydrophobicContact CD1-CG2 3.88Å; F245-V382 HydrophobicContact CE1-CB 4.39Å; F245-V382 HydrophobicContact CE1-CG2 3.34Å; F245-V382 HydrophobicContact CE2-CG2 4.22Å; F245-V382 HydrophobicContact CZ-CG2 3.53Å; F245-A393 HydrophobicContact CD1-CB 3.65Å; F245-A393 HydrophobicContact CD2-CB 4.36Å; F245-A393 HydrophobicContact CE1-CB 3.54Å; F245-A393 HydrophobicContact CE2-CB 4.3Å; F245-A393 HydrophobicContact CG-CB 4.05Å; F245-A393 HydrophobicContact CZ-CB 3.89Å |
| 246 | H | 98 | Very high | 95.2 | Very high | 79 Ų | 79 | 54.1 Ų | 54.1 | 37% | 0.366 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 122.3 | 165.8 | -63.7 | -59.9 | 0 | 0 | 0 | 109.3 | Q331 Y333 G391 F392 | H246-Q331 HydrophobicContact CB-CG 4.08Å; H246-Q331 PolarHBondContact CD2-NE2 2.89Å; H246-Q331 PolarHBondContact CE1-NE2 2.77Å; H246-Q331 PolarHBondContact ND1-NE2 3.06Å; H246-Q331 PolarHBondContact NE2-NE2 3.35Å; H246-Q331 VanDerWaalsContact NE2-NE2 3.17Å; H246-Y333 WeakPolarHBondContact CB-OH 3.44Å; H246-G391 WeakPolarHBondContact O-CA 3.08Å; H246-F392 PolarHBondContact N-O 3.43Å; H246-F392 PolarHBondContact O-N 2.95Å |
| 247 | Y | 98.4 | Very high | 95.1 | Very high | 87 Ų | 87 | 53 Ų | 53 | 34% | 0.341 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 140.9 | -175.2 | -71 | -88.2 | 0 | 0 | 0 | 112.2 | F245 V382 R389 V390 G391 | F245-Y247 HydrophobicContact CB-CD2 4.09Å; F245-Y247 HydrophobicContact CB-CE2 3.45Å; F245-Y247 VanDerWaalsContact CB-CE2 3.45Å; F245-Y247 HydrophobicContact CG-CE2 4.38Å; Y247-V382 HydrophobicContact CE1-CB 4.45Å; Y247-V382 HydrophobicContact CE1-CG1 4.36Å; Y247-R389 HydrophobicContact CD1-CG 3.77Å; Y247-R389 HydrophobicContact CG-CG 4.43Å; Y247-V390 CarbonylContact C-O 3.56Å; Y247-V390 VanDerWaalsContact CA-O 3.27Å; Y247-V390 WeakPolarHBondContact CA-O 3.29Å; Y247-G391 VanDerWaalsContact CD1-CA 3.4Å |
| 248 | V | 98 | Very high | 95.2 | Very high | 17 Ų | 17 | 52.1 Ų | 52.1 | 10% | 0.103 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 131.6 | 177.3 | -169.3 | 0 | 0 | 0 | 0 | 108.7 | V258 I328 R389 V390 | V248-V258 HydrophobicContact CB-CG1 4.3Å; V248-V258 HydrophobicContact CG1-CB 4.19Å; V248-V258 HydrophobicContact CG1-CG1 4.3Å; V248-I328 HydrophobicContact CB-CG2 4.45Å; V248-I328 HydrophobicContact CG1-CG2 4.25Å; V248-I328 HydrophobicContact CG2-CG2 3.96Å; V248-R389 CarbonylContact O-C 3.55Å; V248-R389 VanDerWaalsContact O-CA 3.25Å; V248-R389 WeakPolarHBondContact O-CA 3.33Å; V248-R389 VanDerWaalsContact O-CB 3.27Å; V248-R389 WeakPolarHBondContact O-CB 3.36Å; V248-V390 PolarHBondContact N-O 3.17Å; V248-V390 PolarHBondContact O-N 3.36Å |
| 249 | N | 98.1 | Very high | 95.3 | Very high | 115 Ų | 115 | 51.8 Ų | 51.8 | 62% | 0.615 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 147.2 | -177.4 | -67.6 | -20.5 | 0 | 0 | 0 | 111.4 | S251 | N249-S251 PolarHBondContact O-N 2.95Å |
| 250 | I | 96.6 | Very high | 95.4 | Very high | 20 Ų | 20 | 45.5 Ų | 45.5 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 124.2 | 173.7 | -66.3 | -54.3 | 0 | 0 | 0 | 110 | R252 Q253 W256 Q257 V258 N388 V390 | I250-R252 VanDerWaalsContact CG2-O 3.3Å; I250-R252 WeakPolarHBondContact CG2-O 3.27Å; I250-Q253 HydrophobicContact CG2-CG 4.22Å; I250-W256 HydrophobicContact CD1-CB 4.43Å; I250-W256 HydrophobicContact CD1-CE3 3.98Å; I250-W256 HydrophobicContact CG1-CE3 4.2Å; I250-Q257 CarbonylContact C-O 3.47Å; I250-Q257 VanDerWaalsContact CA-O 3.26Å; I250-Q257 WeakPolarHBondContact CA-O 3.15Å; I250-Q257 WeakPolarHBondContact CD1-O 3.47Å; I250-V258 HydrophobicContact CD1-CG1 4.03Å; I250-N388 WeakPolarHBondContact CB-O 2.92Å; I250-N388 WeakPolarHBondContact CG1-O 3.37Å; I250-N388 PolarHBondContact N-O 2.97Å; I250-V390 HydrophobicContact CD1-CG2 3.7Å |
| 251 | S | 92.9 | Very high | 95.5 | Very high | 62 Ų | 62 | 48.1 Ų | 48.1 | 43% | 0.434 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | -29.6 | 177.8 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | N249 Q257 E277 | N249-S251 PolarHBondContact O-N 2.95Å; S251-Q257 PolarHBondContact N-O 2.89Å; S251-Q257 WeakPolarHBondContact OG-CG 3.49Å; S251-Q257 PolarHBondContact OG-NE2 2.96Å; S251-Q257 VanDerWaalsContact OG-NE2 3.09Å; S251-Q257 PolarHBondContact OG-O 2.97Å; S251-E277 VanDerWaalsContact CB-OE2 3.23Å; S251-E277 WeakPolarHBondContact CB-OE2 3.37Å; S251-E277 PolarHBondContact OG-OE2 3.39Å |
| 252 | R | 89.8 | Confident | 95.5 | Very high | 62 Ų | 62 | 46.6 Ų | 46.6 | 23% | 0.234 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 116.5 | 176.3 | -173.5 | 173.9 | 179.9 | -111.7 | -7.7 | 111.9 | F57 T64 I250 A254 Y255 | F57-R252 VanDerWaalsContact CE1-NH1 3.29Å; T64-R252 PolarHBondContact OG1-NH2 2.81Å; I250-R252 VanDerWaalsContact CG2-O 3.3Å; I250-R252 WeakPolarHBondContact CG2-O 3.27Å; R252-A254 HydrophobicContact CG-CB 4.1Å; R252-A254 PolarHBondContact O-N 2.83Å; R252-Y255 PolarHBondContact O-N 3.43Å |
| 253 | Q | 91.4 | Very high | 95.6 | Very high | 90 Ų | 90 | 44.2 Ų | 44.2 | 42% | 0.421 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | 50.7 | 176.9 | -61.2 | 177.3 | 17.3 | 0 | 0 | 113 | Y189 R191 I250 | Y189-Q253 HydrophobicContact CD1-CB 3.84Å; Y189-Q253 HydrophobicContact CD1-CG 4.35Å; Y189-Q253 HydrophobicContact CE1-CB 3.97Å; Y189-Q253 HydrophobicContact CE1-CG 3.97Å; Y189-Q253 HydrophobicContact CG-CB 4.24Å; R191-Q253 WeakPolarHBondContact CB-O 3.22Å; R191-Q253 WeakPolarHBondContact CD-O 2.93Å; R191-Q253 PolarHBondContact NE-O 2.99Å; I250-Q253 HydrophobicContact CG2-CG 4.22Å |
| 254 | A | 88.1 | Confident | 95.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -44.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | R191 I192 R252 | R191-A254 HydrophobicContact CG-CB 4.44Å; I192-A254 HydrophobicContact CG2-CB 3.76Å; I192-A254 WeakPolarHBondContact CG2-O 3.19Å; R252-A254 HydrophobicContact CG-CB 4.1Å; R252-A254 PolarHBondContact O-N 2.83Å |
| 255 | Y | 91 | Very high | 95.8 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | 175.6 | 179.2 | -64.7 | -77.1 | 0 | 0 | 0 | 109.3 | T67 L68 G96 Y189 I192 R252 Q257 I279 | T67-Y255 PolarHBondContact N-OH 2.71Å; T67-Y255 PolarHBondContact OG1-OH 3.06Å; L68-Y255 HydrophobicContact CD1-CD1 4.12Å; L68-Y255 HydrophobicContact CD1-CE1 4.11Å; L68-Y255 HydrophobicContact CG-CD1 4.5Å; L68-Y255 HydrophobicContact CG-CE1 4.01Å; G96-Y255 WeakPolarHBondContact O-CE1 3.39Å; Y189-Y255 WeakPolarHBondContact CE2-O 3.35Å; I192-Y255 HydrophobicContact CD1-CD1 3.76Å; I192-Y255 HydrophobicContact CD1-CE1 3.29Å; I192-Y255 HydrophobicContact CG2-CE1 4.37Å; I192-Y255 HydrophobicContact CG2-CE2 4.1Å; R252-Y255 PolarHBondContact O-N 3.43Å; Y255-Q257 PolarHBondContact O-N 3.42Å; Y255-I279 HydrophobicContact CD1-CD1 4.03Å; Y255-I279 HydrophobicContact CD1-CG2 4.39Å; Y255-I279 HydrophobicContact CD2-CD1 3.78Å; Y255-I279 HydrophobicContact CE2-CD1 4.39Å; Y255-I279 HydrophobicContact CG-CD1 3.62Å; Y255-I279 HydrophobicContact CG-CG1 4.22Å; Y255-I279 HydrophobicContact CG-CG2 4.4Å |
| 256 | W | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 57.4 | 162.4 | -60.2 | 100.5 | 0 | 0 | 0 | 110.3 | M187 Y189 F215 I250 V280 F383 R385 V390 | M187-W256 PolarHBondContact O-NE1 2.82Å; Y189-W256 AromaticContact CE2-CD2 3.84Å; Y189-W256 HydrophobicContact CE2-CD2 3.84Å; Y189-W256 AromaticContact CE2-CE3 3.85Å; Y189-W256 HydrophobicContact CE2-CE3 3.85Å; Y189-W256 HydrophobicContact CE2-CH2 4.22Å; Y189-W256 HydrophobicContact CE2-CZ2 4.19Å; Y189-W256 HydrophobicContact CE2-CZ3 4.05Å; Y189-W256 AromaticContact CZ-CZ3 3.99Å; Y189-W256 VanDerWaalsContact OH-CZ3 3.3Å; Y189-W256 WeakPolarHBondContact OH-CZ3 3.25Å; F215-W256 HydrophobicContact CE1-CH2 4.21Å; F215-W256 AromaticContact CE1-CZ2 3.6Å; F215-W256 HydrophobicContact CE1-CZ2 3.6Å; F215-W256 AromaticContact CZ-CE2 3.89Å; F215-W256 HydrophobicContact CZ-CH2 4.38Å; F215-W256 AromaticContact CZ-CZ2 3.55Å; F215-W256 HydrophobicContact CZ-CZ2 3.55Å; F215-W256 AromaticContact CZ-NE1 3.96Å; I250-W256 HydrophobicContact CD1-CB 4.43Å; I250-W256 HydrophobicContact CD1-CE3 3.98Å; I250-W256 HydrophobicContact CG1-CE3 4.2Å; W256-V280 HydrophobicContact CB-CB 4.4Å; W256-V280 PolarHBondContact O-N 3.41Å; W256-F383 HydrophobicContact CB-CD1 4Å; W256-F383 HydrophobicContact CB-CE1 3.86Å; W256-F383 AromaticContact CD1-CD1 3.9Å; W256-F383 AromaticContact CD1-CE1 3.99Å; W256-F383 HydrophobicContact CD2-CB 4.27Å; W256-F383 AromaticContact CD2-CD1 3.36Å; W256-F383 HydrophobicContact CD2-CD1 3.36Å; W256-F383 HydrophobicContact CD2-CE1 4.1Å; W256-F383 HydrophobicContact CD2-CG 4.25Å; W256-F383 AromaticContact CE2-CD1 3.72Å; W256-F383 HydrophobicContact CE3-CB 4.15Å; W256-F383 AromaticContact CE3-CD1 3.68Å; W256-F383 HydrophobicContact CE3-CD1 3.68Å; W256-F383 HydrophobicContact CE3-CG 4.42Å; W256-F383 AromaticContact CG-CD1 3.47Å; W256-F383 HydrophobicContact CG-CD1 3.47Å; W256-F383 VanDerWaalsContact CG-CD1 3.47Å; W256-F383 AromaticContact CG-CE1 3.69Å; W256-F383 HydrophobicContact CG-CE1 3.69Å; W256-F383 HydrophobicContact CH2-CB 3.66Å; W256-F383 HydrophobicContact CZ2-CB 3.81Å; W256-F383 HydrophobicContact CZ2-CD1 4.33Å; W256-F383 HydrophobicContact CZ2-CG 4.48Å; W256-F383 HydrophobicContact CZ3-CB 3.85Å; W256-F383 HydrophobicContact CZ3-CD1 4.27Å; W256-F383 AromaticContact NE1-CD1 4Å; W256-R385 HydrophobicContact CH2-CG 3.65Å; W256-R385 HydrophobicContact CZ2-CG 4.08Å; W256-V390 HydrophobicContact CB-CG2 4.23Å; W256-V390 HydrophobicContact CE3-CG2 3.77Å |
| 257 | Q | 95.6 | Very high | 95.3 | Very high | 16 Ų | 16 | 38.6 Ų | 38.6 | 8% | 0.075 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 125.8 | -176 | -168.5 | -174.2 | -51.9 | 0 | 0 | 110.6 | I250 S251 Y255 E277 A278 I279 L368 | I250-Q257 CarbonylContact C-O 3.47Å; I250-Q257 VanDerWaalsContact CA-O 3.26Å; I250-Q257 WeakPolarHBondContact CA-O 3.15Å; I250-Q257 WeakPolarHBondContact CD1-O 3.47Å; S251-Q257 PolarHBondContact N-O 2.89Å; S251-Q257 WeakPolarHBondContact OG-CG 3.49Å; S251-Q257 PolarHBondContact OG-NE2 2.96Å; S251-Q257 VanDerWaalsContact OG-NE2 3.09Å; S251-Q257 PolarHBondContact OG-O 2.97Å; Y255-Q257 PolarHBondContact O-N 3.42Å; Q257-E277 HydrophobicContact CG-CB 4.21Å; Q257-E277 PolarHBondContact NE2-OE2 3.12Å; Q257-A278 CarbonylContact C-O 3.58Å; Q257-A278 VanDerWaalsContact CA-O 3.3Å; Q257-A278 WeakPolarHBondContact CA-O 3.17Å; Q257-I279 HydrophobicContact CB-CG1 4.27Å; Q257-I279 HydrophobicContact CG-CG1 4.31Å; Q257-L368 HydrophobicContact CG-CD2 4.33Å |
| 258 | V | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 152.8 | 177.6 | -65.2 | 0 | 0 | 0 | 0 | 110.5 | V248 I250 A278 V280 I328 V390 | V248-V258 HydrophobicContact CB-CG1 4.3Å; V248-V258 HydrophobicContact CG1-CB 4.19Å; V248-V258 HydrophobicContact CG1-CG1 4.3Å; I250-V258 HydrophobicContact CD1-CG1 4.03Å; V258-A278 HydrophobicContact CG2-CB 4.43Å; V258-A278 PolarHBondContact N-O 2.87Å; V258-A278 PolarHBondContact O-N 3.06Å; V258-V280 HydrophobicContact CG2-CG2 4.32Å; V258-I328 HydrophobicContact CB-CG2 4.47Å; V258-I328 HydrophobicContact CG2-CG2 4.04Å; V258-V390 HydrophobicContact CG1-CB 4.33Å; V258-V390 HydrophobicContact CG1-CG2 4.34Å |
| 259 | H | 97.1 | Very high | 94.8 | Very high | 73 Ų | 73 | 40.6 Ų | 40.6 | 34% | 0.338 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 129 | 169.7 | -168.5 | 69.4 | 0 | 0 | 0 | 110.2 | D261 C276 E277 I328 | H259-D261 IonicContact CD2-OD1 3.73Å; H259-C276 PolarHBondContact ND1-O 2.9Å; H259-E277 IonicContact CE1-OE1 2.78Å; H259-E277 IonicContact CG-OE1 2.56Å; H259-E277 IonicContact ND1-OE1 3.77Å; H259-E277 PolarHBondContact ND1-OE1 3.22Å; H259-I328 WeakPolarHBondContact O-CG2 3.37Å |
| 260 | M | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 119.4 | 172.3 | -179.5 | 167.2 | 64.9 | 0 | 0 | 108.4 | G262 M263 C272 G275 C276 A278 F326 N327 I328 W369 | M260-G262 VanDerWaalsContact C-N 3.25Å; M260-G262 PolarHBondContact O-N 3.2Å; M260-M263 HydrophobicContact CE-CE 3.73Å; M260-M263 HydrophobicContact SD-CE 4.2Å; M260-C272 HydrophobicContact CE-CB 4.14Å; M260-C272 PolarHBondContact O-SG 3.17Å; M260-C272 VanDerWaalsContact O-SG 3.35Å; M260-G275 CarbonylContact O-C 3.56Å; M260-G275 VanDerWaalsContact O-CA 3.26Å; M260-G275 WeakPolarHBondContact O-CA 3.22Å; M260-C276 WeakPolarHBondContact CE-SG 3.34Å; M260-C276 PolarHBondContact N-O 3.26Å; M260-C276 PolarHBondContact O-N 3.42Å; M260-A278 HydrophobicContact CB-CB 4.4Å; M260-F326 HydrophobicContact SD-CB 4.23Å; M260-F326 HydrophobicContact SD-CD1 3.77Å; M260-F326 HydrophobicContact SD-CG 4.5Å; M260-N327 CarbonylContact C-O 3.56Å; M260-N327 VanDerWaalsContact CG-O 3.32Å; M260-N327 WeakPolarHBondContact CG-O 3.28Å; M260-I328 HydrophobicContact CB-CG1 4.44Å; M260-I328 HydrophobicContact CG-CG1 4.09Å; M260-W369 HydrophobicContact CE-CB 4.21Å; M260-W369 HydrophobicContact CE-CD2 4.18Å; M260-W369 HydrophobicContact CE-CG 3.78Å |
| 261 | D | 97.3 | Very high | 94.8 | Very high | 71 Ų | 71 | 38 Ų | 38 | 38% | 0.38 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | -26.9 | -175.2 | -54 | -59.6 | 0 | 0 | 0 | 112.1 | H259 N327 G329 G330 | H259-D261 IonicContact CD2-OD1 3.73Å; D261-N327 HydrophobicContact CB-CB 4.05Å; D261-N327 PolarHBondContact N-O 3.35Å; D261-G329 PolarHBondContact OD2-N 2.8Å; D261-G330 PolarHBondContact OD2-N 3.45Å |
| 262 | G | 97.2 | Very high | 94.9 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 8% | 0.082 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.5 | 171.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | M260 N327 | M260-G262 VanDerWaalsContact C-N 3.25Å; M260-G262 PolarHBondContact O-N 3.2Å; G262-N327 PolarHBondContact O-N 3.07Å |
| 263 | M | 97.9 | Very high | 94.9 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 135.2 | 176.6 | -174.6 | -173.2 | -52.3 | 0 | 0 | 110.6 | M260 I265 S270 L271 L297 I324 T325 F326 W369 | M260-M263 HydrophobicContact CE-CE 3.73Å; M260-M263 HydrophobicContact SD-CE 4.2Å; M263-I265 HydrophobicContact CG-CD1 4.28Å; M263-I265 HydrophobicContact SD-CD1 4.42Å; M263-S270 CarbonylContact O-C 3.49Å; M263-S270 VanDerWaalsContact O-CA 3.31Å; M263-S270 WeakPolarHBondContact O-CA 3.37Å; M263-L271 HydrophobicContact CB-CB 4.19Å; M263-L271 PolarHBondContact N-O 3.07Å; M263-L271 PolarHBondContact O-N 2.91Å; M263-L271 HydrophobicContact SD-CD1 4.47Å; M263-L297 HydrophobicContact SD-CD1 4.3Å; M263-I324 HydrophobicContact CG-CG2 4.16Å; M263-I324 HydrophobicContact SD-CG2 4.16Å; M263-T325 CarbonylContact C-O 3.58Å; M263-T325 VanDerWaalsContact CA-O 3.27Å; M263-T325 WeakPolarHBondContact CA-O 3.4Å; M263-F326 HydrophobicContact CE-CD1 3.62Å; M263-F326 HydrophobicContact CE-CE1 3.34Å; M263-F326 HydrophobicContact CE-CZ 4.31Å; M263-F326 HydrophobicContact CG-CD1 4.37Å; M263-F326 HydrophobicContact CG-CE1 4.45Å; M263-F326 HydrophobicContact SD-CD1 4.43Å; M263-F326 HydrophobicContact SD-CE1 4Å; M263-F326 HydrophobicContact SD-CZ 4.46Å; M263-W369 HydrophobicContact CE-CD2 3.82Å; M263-W369 HydrophobicContact CE-CE3 3.58Å; M263-W369 HydrophobicContact CE-CH2 3.59Å; M263-W369 HydrophobicContact CE-CZ2 3.81Å; M263-W369 HydrophobicContact CE-CZ3 3.47Å; M263-W369 VanDerWaalsContact CE-CZ3 3.47Å; M263-W369 HydrophobicContact SD-CH2 3.86Å; M263-W369 HydrophobicContact SD-CZ2 4.35Å; M263-W369 HydrophobicContact SD-CZ3 4.08Å |
| 264 | A | 98 | Very high | 94.7 | Very high | 26 Ų | 26 | 40.1 Ų | 40.1 | 22% | 0.215 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 140.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L269 I324 T325 | A264-L269 WeakPolarHBondContact CA-O 3.48Å; A264-I324 CarbonylContact O-C 3.57Å; A264-I324 WeakPolarHBondContact O-CA 3.07Å; A264-T325 PolarHBondContact N-O 3.48Å; A264-T325 PolarHBondContact O-N 3.49Å |
| 265 | I | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 100.7 | 177.5 | -60.6 | 88.9 | 0 | 0 | 0 | 106.5 | M263 Q268 L269 L271 L297 A300 I301 P322 I324 | M263-I265 HydrophobicContact CG-CD1 4.28Å; M263-I265 HydrophobicContact SD-CD1 4.42Å; I265-Q268 PolarHBondContact O-N 2.82Å; I265-Q268 PolarHBondContact O-NE2 2.82Å; I265-Q268 VanDerWaalsContact O-NE2 3.11Å; I265-Q268 PolarHBondContact O-OE1 2.97Å; I265-L269 HydrophobicContact CB-CB 4.22Å; I265-L269 HydrophobicContact CD1-CD2 4.08Å; I265-L269 HydrophobicContact CD1-CG 4.15Å; I265-L269 PolarHBondContact N-O 2.97Å; I265-L269 PolarHBondContact O-N 3.07Å; I265-L271 HydrophobicContact CD1-CB 4.27Å; I265-L271 HydrophobicContact CD1-CD1 3.47Å; I265-L271 VanDerWaalsContact CD1-CD1 3.47Å; I265-L271 HydrophobicContact CD1-CG 3.61Å; I265-L297 HydrophobicContact CD1-CD1 4.42Å; I265-L297 HydrophobicContact CG1-CD1 4.17Å; I265-L297 HydrophobicContact CG1-CG 4.15Å; I265-A300 HydrophobicContact CG2-CB 4.09Å; I265-I301 HydrophobicContact CG2-CG2 4.24Å; I265-P322 HydrophobicContact CG2-CB 4.38Å; I265-P322 HydrophobicContact CG2-CG 3.85Å; I265-I324 HydrophobicContact CG1-CG1 4.15Å; I265-I324 HydrophobicContact CG1-CG2 4.34Å; I265-I324 HydrophobicContact CG2-CG1 4.28Å |
| 266 | G | 94.5 | Very high | 95.3 | Very high | 34 Ų | 34 | 42.1 Ų | 42.1 | 35% | 0.351 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | -142.5 | -167.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I323 | G266-I323 PolarHBondContact N-O 2.82Š|
| 267 | S | 91.5 | Very high | 95.2 | Very high | 125 Ų | 125 | 44.3 Ų | 44.3 | 87% | 0.874 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -7.7 | 174.1 | 56.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 268 | Q | 89 | Confident | 95.3 | Very high | 108 Ų | 108 | 43.5 Ų | 43.5 | 51% | 0.505 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -23.7 | -165.8 | 62.2 | -85.6 | 3.3 | 0 | 0 | 115.2 | I265 | I265-Q268 PolarHBondContact O-N 2.82Å; I265-Q268 PolarHBondContact O-NE2 2.82Å; I265-Q268 VanDerWaalsContact O-NE2 3.11Å; I265-Q268 PolarHBondContact O-OE1 2.97Å |
| 269 | L | 96.7 | Very high | 95.2 | Very high | 39 Ų | 39 | 43.5 Ų | 43.5 | 20% | 0.204 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 132.9 | -171.5 | 177.9 | 65.5 | 0 | 0 | 0 | 111.2 | A264 I265 L271 A296 A300 | A264-L269 WeakPolarHBondContact CA-O 3.48Å; I265-L269 HydrophobicContact CB-CB 4.22Å; I265-L269 HydrophobicContact CD1-CD2 4.08Å; I265-L269 HydrophobicContact CD1-CG 4.15Å; I265-L269 PolarHBondContact N-O 2.97Å; I265-L269 PolarHBondContact O-N 3.07Å; L269-L271 HydrophobicContact CD1-CD2 3.99Å; L269-L271 HydrophobicContact CD2-CD1 4.35Å; L269-L271 HydrophobicContact CD2-CD2 4.06Å; L269-L271 HydrophobicContact CD2-CG 4.17Å; L269-L271 HydrophobicContact CG-CD2 4.03Å; L269-L271 HydrophobicContact CG-CG 4.12Å; L269-A296 HydrophobicContact CD2-CB 4.14Å; L269-A300 HydrophobicContact CD2-CB 3.89Å |
| 270 | S | 97.3 | Very high | 95.3 | Very high | 68 Ų | 68 | 40 Ų | 40 | 48% | 0.476 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.2 | 168.3 | -46.5 | 0 | 0 | 0 | 0 | 109.1 | M263 K273 | M263-S270 CarbonylContact O-C 3.49Å; M263-S270 VanDerWaalsContact O-CA 3.31Å; M263-S270 WeakPolarHBondContact O-CA 3.37Å; S270-K273 WeakPolarHBondContact O-CE 3.33Å |
| 271 | L | 96.8 | Very high | 95.1 | Very high | 12 Ų | 12 | 40.1 Ų | 40.1 | 6% | 0.063 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 168.7 | 177.7 | -64.9 | -174.9 | 0 | 0 | 0 | 109 | M263 I265 L269 K273 E293 A296 L297 W369 | M263-L271 HydrophobicContact CB-CB 4.19Å; M263-L271 PolarHBondContact N-O 3.07Å; M263-L271 PolarHBondContact O-N 2.91Å; M263-L271 HydrophobicContact SD-CD1 4.47Å; I265-L271 HydrophobicContact CD1-CB 4.27Å; I265-L271 HydrophobicContact CD1-CD1 3.47Å; I265-L271 VanDerWaalsContact CD1-CD1 3.47Å; I265-L271 HydrophobicContact CD1-CG 3.61Å; L269-L271 HydrophobicContact CD1-CD2 3.99Å; L269-L271 HydrophobicContact CD2-CD1 4.35Å; L269-L271 HydrophobicContact CD2-CD2 4.06Å; L269-L271 HydrophobicContact CD2-CG 4.17Å; L269-L271 HydrophobicContact CG-CD2 4.03Å; L269-L271 HydrophobicContact CG-CG 4.12Å; L271-K273 PolarHBondContact O-N 2.96Å; L271-E293 WeakPolarHBondContact CB-OE2 3.41Å; L271-E293 HydrophobicContact CD1-CB 4.2Å; L271-E293 WeakPolarHBondContact CD1-O 3.38Å; L271-E293 HydrophobicContact CD2-CB 4.05Å; L271-E293 HydrophobicContact CD2-CG 4.19Å; L271-A296 HydrophobicContact CD2-CB 4.32Å; L271-L297 HydrophobicContact CD1-CB 3.94Å; L271-L297 HydrophobicContact CD1-CD1 4.3Å; L271-W369 HydrophobicContact CD1-CH2 4.3Å; L271-W369 HydrophobicContact CD1-CZ2 4.45Å |
| 272 | C | 94.5 | Very high | 95 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 53 | 43.3 | -177.1 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | M260 G274 G275 C276 E293 | M260-C272 HydrophobicContact CE-CB 4.14Å; M260-C272 PolarHBondContact O-SG 3.17Å; M260-C272 VanDerWaalsContact O-SG 3.35Å; C272-G274 PolarHBondContact O-N 3.22Å; C272-G275 PolarHBondContact O-N 3.34Å; C272-C276 HydrophobicContact CB-CB 4.06Å; C272-C276 WeakPolarHBondContact CB-SG 3.19Å; C272-C276 WeakPolarHBondContact SG-CB 3.39Å; C272-C276 PolarHBondContact SG-N 2.75Å; C272-C276 CovalentContact SG-SG 2.02Å; C272-C276 PolarHBondContact SG-SG 3.47Å; C272-E293 PolarHBondContact N-OE2 3.14Å |
| 273 | K | 90.8 | Very high | 94.5 | Very high | 169 Ų | 169 | 36.8 Ų | 36.8 | 74% | 0.735 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 123.5 | -175.3 | -69.3 | -173.9 | -179.5 | -177.8 | 0 | 110.2 | S270 L271 | S270-K273 WeakPolarHBondContact O-CE 3.33Å; L271-K273 PolarHBondContact O-N 2.96Å |
| 274 | G | 87.8 | Confident | 93.8 | Very high | 87 Ų | 87 | 37.2 Ų | 37.2 | 90% | 0.897 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | 11.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | C272 | C272-G274 PolarHBondContact O-N 3.22Š|
| 275 | G | 94.4 | Very high | 93.2 | Very high | 22 Ų | 22 | 36.1 Ų | 36.1 | 23% | 0.227 | 23% | 0.231 | C | C | . | . | trans | 88.4 | 151.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | M260 C272 | M260-G275 CarbonylContact O-C 3.56Å; M260-G275 VanDerWaalsContact O-CA 3.26Å; M260-G275 WeakPolarHBondContact O-CA 3.22Å; C272-G275 PolarHBondContact O-N 3.34Å | ||
| 276 | C | 96 | Very high | 92.9 | Very high | 22 Ų | 22 | 36.5 Ų | 36.5 | 15% | 0.149 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 174.2 | 175.5 | 65.2 | 0 | 0 | 0 | 0 | 109.7 | H259 M260 C272 | H259-C276 PolarHBondContact ND1-O 2.9Å; M260-C276 WeakPolarHBondContact CE-SG 3.34Å; M260-C276 PolarHBondContact N-O 3.26Å; M260-C276 PolarHBondContact O-N 3.42Å; C272-C276 HydrophobicContact CB-CB 4.06Å; C272-C276 WeakPolarHBondContact CB-SG 3.19Å; C272-C276 WeakPolarHBondContact SG-CB 3.39Å; C272-C276 PolarHBondContact SG-N 2.75Å; C272-C276 CovalentContact SG-SG 2.02Å; C272-C276 PolarHBondContact SG-SG 3.47Å |
| 277 | E | 95.3 | Very high | 92.9 | Very high | 45 Ų | 45 | 34.9 Ų | 34.9 | 21% | 0.21 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 142.1 | -179.2 | -63.9 | -60.9 | 126.9 | 0 | 0 | 110.4 | S251 Q257 H259 L368 W369 | S251-E277 VanDerWaalsContact CB-OE2 3.23Å; S251-E277 WeakPolarHBondContact CB-OE2 3.37Å; S251-E277 PolarHBondContact OG-OE2 3.39Å; Q257-E277 HydrophobicContact CG-CB 4.21Å; Q257-E277 PolarHBondContact NE2-OE2 3.12Å; H259-E277 IonicContact CE1-OE1 2.78Å; H259-E277 IonicContact CG-OE1 2.56Å; H259-E277 IonicContact ND1-OE1 3.77Å; H259-E277 PolarHBondContact ND1-OE1 3.22Å; E277-L368 HydrophobicContact CB-CD2 3.3Å; E277-L368 HydrophobicContact CG-CD2 4.47Å; E277-L368 WeakPolarHBondContact O-CA 3.37Å; E277-W369 PolarHBondContact O-N 3.31Å |
| 278 | A | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 137 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111 | Q257 V258 M260 W369 L371 | Q257-A278 CarbonylContact C-O 3.58Å; Q257-A278 VanDerWaalsContact CA-O 3.3Å; Q257-A278 WeakPolarHBondContact CA-O 3.17Å; V258-A278 HydrophobicContact CG2-CB 4.43Å; V258-A278 PolarHBondContact N-O 2.87Å; V258-A278 PolarHBondContact O-N 3.06Å; M260-A278 HydrophobicContact CB-CB 4.4Å; A278-W369 CarbonylContact C-O 3.24Å; A278-W369 VanDerWaalsContact CA-O 3.28Å; A278-W369 WeakPolarHBondContact CA-O 3.39Å; A278-W369 HydrophobicContact CB-CB 3.96Å; A278-L371 HydrophobicContact CB-CD1 4.28Å; A278-L371 HydrophobicContact CB-CG 4.18Å |
| 279 | I | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 130 | 173 | -61 | 170.6 | 0 | 0 | 0 | 108.8 | L68 Y255 Q257 D281 L368 W369 I370 L371 | L68-I279 HydrophobicContact CD1-CB 4.37Å; L68-I279 HydrophobicContact CD1-CD1 3.87Å; L68-I279 HydrophobicContact CD1-CG2 3.85Å; L68-I279 HydrophobicContact CD2-CD1 4.33Å; L68-I279 HydrophobicContact CG-CD1 4.32Å; Y255-I279 HydrophobicContact CD1-CD1 4.03Å; Y255-I279 HydrophobicContact CD1-CG2 4.39Å; Y255-I279 HydrophobicContact CD2-CD1 3.78Å; Y255-I279 HydrophobicContact CE2-CD1 4.39Å; Y255-I279 HydrophobicContact CG-CD1 3.62Å; Y255-I279 HydrophobicContact CG-CG1 4.22Å; Y255-I279 HydrophobicContact CG-CG2 4.4Å; Q257-I279 HydrophobicContact CB-CG1 4.27Å; Q257-I279 HydrophobicContact CG-CG1 4.31Å; I279-D281 HydrophobicContact CG2-CB 4.37Å; I279-L368 HydrophobicContact CD1-CD1 3.95Å; I279-W369 PolarHBondContact N-O 3.19Å; I279-I370 CarbonylContact O-C 3.57Å; I279-I370 WeakPolarHBondContact O-CA 3.41Å; I279-L371 PolarHBondContact O-N 2.93Å |
| 280 | V | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 118 | 172.5 | -171.4 | 0 | 0 | 0 | 0 | 108.4 | T95 W256 V258 I376 T381 F383 V390 F392 | T95-V280 PolarHBondContact OG1-O 3.39Å; W256-V280 HydrophobicContact CB-CB 4.4Å; W256-V280 PolarHBondContact O-N 3.41Å; V258-V280 HydrophobicContact CG2-CG2 4.32Å; V280-I376 HydrophobicContact CG1-CD1 4.1Å; V280-I376 HydrophobicContact CG1-CG1 4.11Å; V280-T381 HydrophobicContact CG1-CG2 3.87Å; V280-F383 HydrophobicContact CB-CE1 4.1Å; V280-F383 HydrophobicContact CB-CZ 4.47Å; V280-F383 HydrophobicContact CG1-CE1 3.94Å; V280-F383 HydrophobicContact CG1-CZ 3.85Å; V280-V390 HydrophobicContact CG2-CG1 4.31Å; V280-F392 HydrophobicContact CG1-CE1 4.2Å; V280-F392 HydrophobicContact CG2-CE1 4.15Å; V280-F392 HydrophobicContact CG2-CZ 3.74Å |
| 281 | D | 94.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.011 | 14% | 0.138 | C | C | . | . | trans | -138.2 | 111.9 | -164.4 | -172.6 | 19.6 | 0 | 0 | 0 | 114.6 | T95 G96 I279 G283 T284 I370 L371 G372 | T95-D281 VanDerWaalsContact OG1-CA 3.25Å; T95-D281 WeakPolarHBondContact OG1-CA 3.35Å; T95-D281 PolarHBondContact OG1-OD1 3.4Å; G96-D281 WeakPolarHBondContact CA-OD1 3.11Å; G96-D281 PolarHBondContact N-OD1 3.18Å; I279-D281 HydrophobicContact CG2-CB 4.37Å; D281-G283 VanDerWaalsContact C-N 3.33Å; D281-G283 PolarHBondContact OD1-N 3.39Å; D281-T284 WeakPolarHBondContact OD2-CB 3.35Å; D281-T284 PolarHBondContact OD2-N 2.97Å; D281-T284 PolarHBondContact OD2-OG1 3.28Å; D281-I370 HydrophobicContact CB-CG2 3.49Å; D281-I370 VanDerWaalsContact CB-CG2 3.49Å; D281-L371 PolarHBondContact N-O 3.12Å; D281-G372 WeakPolarHBondContact O-CA 3.32Å | ||
| 282 | T | 93.8 | Very high | 92.8 | Very high | 8 Ų | 8 | 24.6 Ų | 24.6 | 5% | 0.049 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -12.7 | 171.6 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | F93 T95 F217 T284 I376 F383 | F93-T282 PolarHBondContact O-OG1 2.9Å; T95-T282 HydrophobicContact CG2-CG2 4.25Å; T95-T282 PolarHBondContact N-OG1 2.67Å; T95-T282 VanDerWaalsContact N-OG1 3.14Å; T95-T282 PolarHBondContact OG1-N 2.78Å; T95-T282 PolarHBondContact OG1-OG1 2.67Å; F217-T282 HydrophobicContact CB-CG2 4.39Å; F217-T282 HydrophobicContact CD1-CG2 3.85Å; F217-T282 HydrophobicContact CD2-CG2 3.82Å; F217-T282 HydrophobicContact CE1-CG2 3.96Å; F217-T282 HydrophobicContact CE2-CG2 3.9Å; F217-T282 HydrophobicContact CG-CG2 3.76Å; F217-T282 HydrophobicContact CZ-CG2 3.96Å; T282-T284 VanDerWaalsContact C-N 3.27Å; T282-I376 HydrophobicContact CG2-CD1 3.92Å; T282-F383 HydrophobicContact CG2-CE2 4.46Å; T282-F383 HydrophobicContact CG2-CZ 4.4Å |
| 283 | G | 86.4 | Confident | 93 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -13.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | D94 D281 | D94-G283 VanDerWaalsContact OD1-CA 3.31Å; D94-G283 WeakPolarHBondContact OD1-CA 3.37Å; D281-G283 VanDerWaalsContact C-N 3.33Å; D281-G283 PolarHBondContact OD1-N 3.39Å |
| 284 | T | 84.3 | Confident | 93.3 | Very high | 13 Ų | 13 | 19 Ų | 19 | 8% | 0.08 | 14% | 0.143 | C | C | . | . | trans | -121.1 | 126.7 | -177.9 | -58.3 | 0 | 0 | 0 | 0 | 110.6 | D281 T282 L286 T288 I370 G372 D373 | D281-T284 WeakPolarHBondContact OD2-CB 3.35Å; D281-T284 PolarHBondContact OD2-N 2.97Å; D281-T284 PolarHBondContact OD2-OG1 3.28Å; T282-T284 VanDerWaalsContact C-N 3.27Å; T284-L286 WeakPolarHBondContact CG2-O 3.22Å; T284-T288 HydrophobicContact CG2-CG2 4.2Å; T284-I370 HydrophobicContact CG2-CG2 4.39Å; T284-G372 CarbonylContact O-C 3.49Å; T284-G372 WeakPolarHBondContact O-CA 3.14Å; T284-D373 PolarHBondContact O-N 3.43Å | ||
| 285 | S | 84.9 | Confident | 93.7 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.014 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -82.4 | -31 | 179.4 | -60.7 | 0 | 0 | 0 | 0 | 115 | D73 Q75 D373 V374 | D73-S285 WeakPolarHBondContact O-CB 3.37Å; D73-S285 PolarHBondContact O-OG 2.85Å; Q75-S285 WeakPolarHBondContact CB-OG 3.43Å; Q75-S285 WeakPolarHBondContact CG-OG 3.18Å; Q75-S285 PolarHBondContact N-OG 2.75Å; S285-D373 WeakPolarHBondContact CA-OD2 3.3Å; S285-D373 VanDerWaalsContact CB-OD2 3.32Å; S285-D373 WeakPolarHBondContact CB-OD2 3.4Å; S285-D373 PolarHBondContact O-N 2.84Å; S285-D373 PolarHBondContact OG-OD2 3.42Å; S285-V374 WeakPolarHBondContact O-CG2 3.05Å; S285-V374 PolarHBondContact O-N 2.8Å |
| 286 | L | 91.1 | Very high | 93.8 | Very high | 8 Ų | 8 | 22.4 Ų | 22.4 | 4% | 0.042 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -88.1 | 158.6 | -179.8 | -54.5 | -175.5 | 0 | 0 | 0 | 111.9 | T284 L342 M357 | T284-L286 WeakPolarHBondContact CG2-O 3.22Å; L286-L342 HydrophobicContact CD2-CD1 3.42Å; L286-L342 VanDerWaalsContact CD2-CD1 3.42Å; L286-M357 HydrophobicContact CB-CB 4.47Å; L286-M357 HydrophobicContact CD1-CB 3.82Å; L286-M357 HydrophobicContact CD1-CG 4.46Å; L286-M357 HydrophobicContact CD1-SD 3.94Å |
| 287 | I | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 127.8 | 162.8 | -63 | 170.3 | 0 | 0 | 0 | 107.6 | F326 L335 G355 F356 M357 W369 I370 L371 V374 F375 | I287-F326 HydrophobicContact CD1-CE1 4.32Å; I287-F326 HydrophobicContact CD1-CE2 4.48Å; I287-F326 HydrophobicContact CD1-CZ 3.7Å; I287-F326 HydrophobicContact CG2-CE1 4.44Å; I287-L335 HydrophobicContact CD1-CD1 3.79Å; I287-G355 PolarHBondContact N-O 3.36Å; I287-F356 HydrophobicContact CB-CD1 3.82Å; I287-F356 HydrophobicContact CB-CE1 3.88Å; I287-F356 HydrophobicContact CD1-CE1 3.93Å; I287-F356 HydrophobicContact CD1-CZ 3.94Å; I287-F356 HydrophobicContact CG2-CD1 3.68Å; I287-F356 HydrophobicContact CG2-CE1 3.59Å; I287-F356 CarbonylContact O-C 3.59Å; I287-F356 VanDerWaalsContact O-CA 3.24Å; I287-F356 WeakPolarHBondContact O-CA 3.37Å; I287-M357 PolarHBondContact O-N 2.89Å; I287-W369 HydrophobicContact CG2-CE3 4.03Å; I287-W369 HydrophobicContact CG2-CZ3 4.22Å; I287-I370 CarbonylContact C-O 3.58Å; I287-I370 VanDerWaalsContact CA-O 3.25Å; I287-I370 WeakPolarHBondContact CA-O 3.34Å; I287-I370 WeakPolarHBondContact CG2-O 3.44Å; I287-L371 HydrophobicContact CG2-CD2 4.39Å; I287-V374 HydrophobicContact CD1-CB 4.22Å; I287-V374 HydrophobicContact CD1-CG1 3.73Å; I287-V374 HydrophobicContact CG1-CB 4.08Å; I287-V374 HydrophobicContact CG1-CG1 4.13Å; I287-F375 HydrophobicContact CD1-CB 4.16Å; I287-F375 HydrophobicContact CG1-CB 4.39Å |
| 288 | T | 93.1 | Very high | 94 | Very high | 8 Ų | 8 | 19.2 Ų | 19.2 | 5% | 0.049 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 155.4 | 177.7 | 81.8 | 0 | 0 | 0 | 0 | 112 | T284 M357 L359 W369 I370 | T284-T288 HydrophobicContact CG2-CG2 4.2Å; T288-M357 WeakPolarHBondContact CA-O 3.46Å; T288-M357 WeakPolarHBondContact CB-O 3.49Å; T288-M357 HydrophobicContact CG2-CB 4.39Å; T288-L359 HydrophobicContact CG2-CB 4.41Å; T288-W369 CarbonylContact O-C 3.57Å; T288-W369 VanDerWaalsContact O-CA 3.25Å; T288-W369 WeakPolarHBondContact O-CA 3.14Å; T288-I370 PolarHBondContact N-O 2.63Å; T288-I370 PolarHBondContact O-N 3.37Å; T288-I370 WeakPolarHBondContact OG1-CB 3.48Å; T288-I370 VanDerWaalsContact OG1-CD1 3.31Å; T288-I370 WeakPolarHBondContact OG1-CD1 3.33Å; T288-I370 VanDerWaalsContact OG1-CG1 3.29Å; T288-I370 WeakPolarHBondContact OG1-CG1 3.4Å |
| 289 | G | 94.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.7 | -179.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | A291 V294 M357 L359 | G289-A291 PolarHBondContact O-N 3.36Å; G289-V294 WeakPolarHBondContact O-CG2 3.27Å; G289-M357 PolarHBondContact N-O 3.46Å; G289-L359 CarbonylContact C-O 3.49Å; G289-L359 PolarHBondContact O-N 2.89Å |
| 290 | P | 94.6 | Very high | 94.1 | Very high | 18 Ų | 18 | 29.5 Ų | 29.5 | 12% | 0.117 | 17% | 0.168 | C | C | . | . | trans | -53.9 | 134.2 | -178.2 | -26.6 | 35.5 | 0 | 0 | 0 | 112 | A292 E293 V294 P367 | P290-A292 PolarHBondContact O-N 3.15Å; P290-A292 VanDerWaalsContact O-N 3.12Å; P290-E293 PolarHBondContact O-N 3.14Å; P290-V294 PolarHBondContact O-N 3.11Å; P290-P367 HydrophobicContact CG-CB 3.85Å | ||
| 291 | A | 92.5 | Very high | 94.1 | Very high | 29 Ų | 29 | 30 Ų | 30 | 24% | 0.24 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.1 | -35.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G289 K295 A358 D360 | G289-A291 PolarHBondContact O-N 3.36Å; A291-K295 WeakPolarHBondContact O-CB 3.33Å; A291-K295 PolarHBondContact O-N 2.92Å; A291-A358 HydrophobicContact CB-CB 3.86Å; A291-D360 WeakPolarHBondContact CB-OD1 3.11Å; A291-D360 VanDerWaalsContact CB-OD2 3.25Å; A291-D360 WeakPolarHBondContact CB-OD2 3.23Å; A291-D360 PolarHBondContact N-OD1 3.42Å |
| 292 | A | 95.1 | Very high | 94.2 | Very high | 81 Ų | 81 | 32.3 Ų | 32.3 | 67% | 0.669 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -63.8 | -44.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P290 A296 | P290-A292 PolarHBondContact O-N 3.15Å; P290-A292 VanDerWaalsContact O-N 3.12Å; A292-A296 PolarHBondContact O-N 2.94Å; A292-A296 VanDerWaalsContact O-N 3.15Å |
| 293 | E | 97.1 | Very high | 94.3 | Very high | 54 Ų | 54 | 32.5 Ų | 32.5 | 25% | 0.252 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -73.1 | -43.7 | -179.3 | -67.6 | -163.3 | -156.7 | 0 | 0 | 111.4 | L271 C272 P290 K295 A296 L297 W369 | L271-E293 WeakPolarHBondContact CB-OE2 3.41Å; L271-E293 HydrophobicContact CD1-CB 4.2Å; L271-E293 WeakPolarHBondContact CD1-O 3.38Å; L271-E293 HydrophobicContact CD2-CB 4.05Å; L271-E293 HydrophobicContact CD2-CG 4.19Å; C272-E293 PolarHBondContact N-OE2 3.14Å; P290-E293 PolarHBondContact O-N 3.14Å; E293-K295 VanDerWaalsContact C-N 3.33Å; E293-K295 PolarHBondContact O-N 3.15Å; E293-A296 WeakPolarHBondContact O-CB 3.25Å; E293-A296 PolarHBondContact O-N 3.29Å; E293-A296 VanDerWaalsContact O-N 3.14Å; E293-L297 PolarHBondContact O-N 2.98Å; E293-W369 HydrophobicContact CB-CH2 4.48Å; E293-W369 HydrophobicContact CB-CZ2 3.92Å; E293-W369 WeakPolarHBondContact OE2-CZ2 3.48Å |
| 294 | V | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.8 | -44 | 174.6 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | G289 P290 A296 L297 Q298 F356 A358 W369 | G289-V294 WeakPolarHBondContact O-CG2 3.27Å; P290-V294 PolarHBondContact O-N 3.11Å; V294-A296 VanDerWaalsContact C-N 3.27Å; V294-A296 PolarHBondContact O-N 2.93Å; V294-L297 WeakPolarHBondContact O-CB 3.46Å; V294-L297 PolarHBondContact O-N 2.86Å; V294-L297 VanDerWaalsContact O-N 3.13Å; V294-Q298 HydrophobicContact CG1-CG 4.06Å; V294-Q298 VanDerWaalsContact O-CG 3.24Å; V294-Q298 WeakPolarHBondContact O-CG 3.41Å; V294-Q298 PolarHBondContact O-N 2.91Å; V294-F356 HydrophobicContact CG1-CB 4.5Å; V294-A358 HydrophobicContact CB-CB 4.35Å; V294-A358 HydrophobicContact CG1-CB 4.37Å; V294-W369 HydrophobicContact CG2-CH2 4.22Å; V294-W369 HydrophobicContact CG2-CZ3 4.31Å |
| 295 | K | 96.5 | Very high | 95 | Very high | 143 Ų | 143 | 41.5 Ų | 41.5 | 62% | 0.622 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60 | -37.9 | 176.5 | -174.9 | 177.2 | -179.6 | 179.6 | 0 | 112.3 | A291 E293 K299 | A291-K295 WeakPolarHBondContact O-CB 3.33Å; A291-K295 PolarHBondContact O-N 2.92Å; E293-K295 VanDerWaalsContact C-N 3.33Å; E293-K295 PolarHBondContact O-N 3.15Å; K295-K299 PolarHBondContact O-N 2.81Å; K295-K299 VanDerWaalsContact O-N 3.11Å |
| 296 | A | 97.6 | Very high | 95 | Very high | 37 Ų | 37 | 44.5 Ų | 44.5 | 31% | 0.306 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L269 L271 A292 E293 V294 K299 A300 | L269-A296 HydrophobicContact CD2-CB 4.14Å; L271-A296 HydrophobicContact CD2-CB 4.32Å; A292-A296 PolarHBondContact O-N 2.94Å; A292-A296 VanDerWaalsContact O-N 3.15Å; E293-A296 WeakPolarHBondContact O-CB 3.25Å; E293-A296 PolarHBondContact O-N 3.29Å; E293-A296 VanDerWaalsContact O-N 3.14Å; V294-A296 VanDerWaalsContact C-N 3.27Å; V294-A296 PolarHBondContact O-N 2.93Å; A296-K299 PolarHBondContact O-N 2.69Å; A296-A300 PolarHBondContact O-N 2.76Å |
| 297 | L | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.5 | -51 | 173.2 | -176.6 | 156 | 0 | 0 | 0 | 111.4 | M263 I265 L271 E293 V294 K299 A300 I301 I324 F356 | M263-L297 HydrophobicContact SD-CD1 4.3Å; I265-L297 HydrophobicContact CD1-CD1 4.42Å; I265-L297 HydrophobicContact CG1-CD1 4.17Å; I265-L297 HydrophobicContact CG1-CG 4.15Å; L271-L297 HydrophobicContact CD1-CB 3.94Å; L271-L297 HydrophobicContact CD1-CD1 4.3Å; E293-L297 PolarHBondContact O-N 2.98Å; V294-L297 WeakPolarHBondContact O-CB 3.46Å; V294-L297 PolarHBondContact O-N 2.86Å; V294-L297 VanDerWaalsContact O-N 3.13Å; L297-K299 VanDerWaalsContact C-N 3.27Å; L297-K299 PolarHBondContact O-N 2.94Å; L297-A300 WeakPolarHBondContact O-CA 3.39Å; L297-A300 WeakPolarHBondContact O-CB 3.11Å; L297-A300 PolarHBondContact O-N 3.23Å; L297-I301 HydrophobicContact CD2-CD1 4.22Å; L297-I301 HydrophobicContact CD2-CG1 4.47Å; L297-I301 HydrophobicContact CD2-CG2 4.48Å; L297-I301 PolarHBondContact O-N 2.82Å; L297-I324 HydrophobicContact CD1-CD1 4.23Å; L297-I324 HydrophobicContact CD2-CD1 4.39Å; L297-I324 HydrophobicContact CG-CD1 4.46Å; L297-F356 HydrophobicContact CD1-CD1 3.67Å; L297-F356 HydrophobicContact CD1-CD2 4.35Å; L297-F356 HydrophobicContact CD1-CE1 3.72Å; L297-F356 HydrophobicContact CD1-CE2 4.41Å; L297-F356 HydrophobicContact CD1-CG 4Å; L297-F356 HydrophobicContact CD1-CZ 4.12Å; L297-F356 HydrophobicContact CD2-CB 4.17Å; L297-F356 HydrophobicContact CD2-CD1 4.46Å; L297-F356 HydrophobicContact CD2-CD2 3.93Å; L297-F356 HydrophobicContact CD2-CE2 4.46Å; L297-F356 HydrophobicContact CD2-CG 3.93Å |
| 298 | Q | 97.8 | Very high | 93 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61 | -38.9 | -178.3 | -61.5 | -64.8 | 12.6 | 0 | 0 | 111.4 | V294 I301 G302 A303 Y311 S354 F356 | V294-Q298 HydrophobicContact CG1-CG 4.06Å; V294-Q298 VanDerWaalsContact O-CG 3.24Å; V294-Q298 WeakPolarHBondContact O-CG 3.41Å; V294-Q298 PolarHBondContact O-N 2.91Å; Q298-I301 WeakPolarHBondContact O-CG1 3.42Å; Q298-I301 PolarHBondContact O-N 2.93Å; Q298-G302 PolarHBondContact O-N 3.09Å; Q298-G302 VanDerWaalsContact O-N 3.16Å; Q298-A303 HydrophobicContact CB-CB 4.28Å; Q298-A303 PolarHBondContact O-N 2.88Å; Q298-Y311 HydrophobicContact CB-CD1 3.59Å; Q298-Y311 HydrophobicContact CB-CE1 3.67Å; Q298-Y311 HydrophobicContact CB-CG 4.07Å; Q298-Y311 VanDerWaalsContact CD-CG 3.4Å; Q298-Y311 HydrophobicContact CG-CD1 3.6Å; Q298-Y311 HydrophobicContact CG-CD2 3.64Å; Q298-Y311 HydrophobicContact CG-CE1 3.76Å; Q298-Y311 HydrophobicContact CG-CE2 3.82Å; Q298-Y311 HydrophobicContact CG-CG 3.54Å; Q298-Y311 VanDerWaalsContact NE2-CD2 3.34Å; Q298-S354 PolarHBondContact NE2-OG 3.15Å; Q298-S354 PolarHBondContact OE1-OG 3.35Å; Q298-F356 PolarHBondContact NE2-O 2.86Å |
| 299 | K | 97.1 | Very high | 92.3 | Very high | 180 Ų | 180 | 51 Ų | 51 | 78% | 0.783 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.9 | -42.6 | 172.4 | -174.4 | -179.4 | 178 | -175.8 | 0 | 111.9 | K295 A296 L297 I301 G302 | K295-K299 PolarHBondContact O-N 2.81Å; K295-K299 VanDerWaalsContact O-N 3.11Å; A296-K299 PolarHBondContact O-N 2.69Å; L297-K299 VanDerWaalsContact C-N 3.27Å; L297-K299 PolarHBondContact O-N 2.94Å; K299-I301 VanDerWaalsContact C-N 3.3Å; K299-I301 PolarHBondContact O-N 2.5Å; K299-G302 PolarHBondContact O-N 3.39Å; K299-G302 VanDerWaalsContact O-N 3.16Å |
| 300 | A | 97.1 | Very high | 92 | Very high | 36 Ų | 36 | 51.7 Ų | 51.7 | 30% | 0.298 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.8 | -30.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I265 L269 A296 L297 | I265-A300 HydrophobicContact CG2-CB 4.09Å; L269-A300 HydrophobicContact CD2-CB 3.89Å; A296-A300 PolarHBondContact O-N 2.76Å; L297-A300 WeakPolarHBondContact O-CA 3.39Å; L297-A300 WeakPolarHBondContact O-CB 3.11Å; L297-A300 PolarHBondContact O-N 3.23Å |
| 301 | I | 97.3 | Very high | 91.9 | Very high | 11 Ų | 11 | 52.7 Ų | 52.7 | 6% | 0.056 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 1.2 | 175.3 | 69.8 | 164.9 | 0 | 0 | 0 | 113.4 | I265 L297 Q298 K299 A303 V313 L321 P322 Y340 | I265-I301 HydrophobicContact CG2-CG2 4.24Å; L297-I301 HydrophobicContact CD2-CD1 4.22Å; L297-I301 HydrophobicContact CD2-CG1 4.47Å; L297-I301 HydrophobicContact CD2-CG2 4.48Å; L297-I301 PolarHBondContact O-N 2.82Å; Q298-I301 WeakPolarHBondContact O-CG1 3.42Å; Q298-I301 PolarHBondContact O-N 2.93Å; K299-I301 VanDerWaalsContact C-N 3.3Å; K299-I301 PolarHBondContact O-N 2.5Å; I301-A303 VanDerWaalsContact C-N 3.29Å; I301-A303 HydrophobicContact CD1-CB 3.92Å; I301-A303 HydrophobicContact CG1-CB 3.8Å; I301-A303 PolarHBondContact O-N 3.04Å; I301-V313 HydrophobicContact CD1-CG1 4.26Å; I301-L321 HydrophobicContact CB-CD2 4.45Å; I301-P322 HydrophobicContact CG2-CG 3.83Å; I301-Y340 HydrophobicContact CD1-CE2 4.2Å |
| 302 | G | 96.2 | Very high | 92.1 | Very high | 50 Ų | 50 | 54.2 Ų | 54.2 | 52% | 0.515 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 27 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q298 K299 | Q298-G302 PolarHBondContact O-N 3.09Å; Q298-G302 VanDerWaalsContact O-N 3.16Å; K299-G302 PolarHBondContact O-N 3.39Å; K299-G302 VanDerWaalsContact O-N 3.16Å |
| 303 | A | 97.1 | Very high | 92.2 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 143.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q298 I301 Y311 M312 V313 | Q298-A303 HydrophobicContact CB-CB 4.28Å; Q298-A303 PolarHBondContact O-N 2.88Å; I301-A303 VanDerWaalsContact C-N 3.29Å; I301-A303 HydrophobicContact CD1-CB 3.92Å; I301-A303 HydrophobicContact CG1-CB 3.8Å; I301-A303 PolarHBondContact O-N 3.04Å; A303-Y311 HydrophobicContact CB-CD1 4.33Å; A303-M312 CarbonylContact C-O 3.39Å; A303-M312 VanDerWaalsContact CA-O 3.3Å; A303-M312 WeakPolarHBondContact CA-O 3.47Å; A303-V313 HydrophobicContact CB-CG1 3.63Å |
| 304 | L | 93.9 | Very high | 92.1 | Very high | 110 Ų | 110 | 50.1 Ų | 50.1 | 58% | 0.576 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 134.9 | 178.3 | -62 | 175.9 | 0 | 0 | 0 | 109.6 | Y311 M312 | L304-Y311 CarbonylContact O-C 3.56Å; L304-Y311 VanDerWaalsContact O-CA 3.27Å; L304-Y311 WeakPolarHBondContact O-CA 3.42Å; L304-M312 HydrophobicContact CB-CG 4.39Å; L304-M312 PolarHBondContact N-O 2.85Å; L304-M312 PolarHBondContact O-N 2.74Å |
| 305 | P | 92 | Very high | 92.1 | Very high | 92 Ų | 92 | 51.9 Ų | 51.9 | 60% | 0.597 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 140.9 | 178.2 | 28.6 | -34.2 | 0 | 0 | 0 | 110.8 | Y311 | P305-Y311 HydrophobicContact CB-CD1 4.08Å; P305-Y311 HydrophobicContact CB-CE1 3.71Å |
| 306 | L | 83.9 | Confident | 92.1 | Very high | 66 Ų | 66 | 52.4 Ų | 52.4 | 35% | 0.346 | 30% | 0.297 | S | S | . | . | trans | -109.1 | 175.8 | 168 | -70.4 | -178 | 0 | 0 | 0 | 110.2 | E310 M312 L353 | L306-E310 HydrophobicContact CB-CB 4.13Å; L306-E310 PolarHBondContact N-O 2.81Å; L306-M312 HydrophobicContact CD1-CB 3.85Å; L306-M312 HydrophobicContact CD1-CG 4.09Å; L306-M312 HydrophobicContact CD1-SD 4.28Å; L306-M312 HydrophobicContact CD2-CG 3.96Å; L306-M312 HydrophobicContact CD2-SD 3.67Å; L306-M312 HydrophobicContact CG-CB 4.16Å; L306-M312 HydrophobicContact CG-CG 3.92Å; L306-M312 HydrophobicContact CG-SD 4.22Å; L306-L353 HydrophobicContact CD1-CD2 3.45Å; L306-L353 VanDerWaalsContact CD1-CD2 3.45Å | ||
| 307 | I | 75.3 | Confident | 92 | Very high | 111 Ų | 111 | 56.4 Ų | 56.4 | 57% | 0.569 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -62.8 | 158.3 | 171.6 | -46.5 | 173.6 | 0 | 0 | 0 | 108.6 | A41 L45 G309 | A41-I307 HydrophobicContact CB-CG2 3.62Å; L45-I307 HydrophobicContact CD1-CG2 4.26Å; I307-G309 PolarHBondContact O-N 3.41Å; I307-G309 VanDerWaalsContact O-N 3.15Å |
| 308 | Q | 69.6 | Low | 92 | Very high | 26 Ų | 26 | 56.5 Ų | 56.5 | 12% | 0.121 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | 67.6 | 7.4 | 177.6 | -52 | 175.9 | 11.3 | 0 | 0 | 115.9 | M357 | Q308-M357 WeakPolarHBondContact O-CE 3.21Š|
| 309 | G | 79.3 | Confident | 92 | Very high | 16 Ų | 16 | 61 Ų | 61 | 17% | 0.165 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | 89.8 | 7.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | I307 | I307-G309 PolarHBondContact O-N 3.41Å; I307-G309 VanDerWaalsContact O-N 3.15Å |
| 310 | E | 86.9 | Confident | 92 | Very high | 13 Ų | 13 | 58 Ų | 58 | 6% | 0.061 | 33% | 0.334 | C | S | . | . | trans | -80.2 | 165 | 172.8 | -46.6 | -163.3 | 111 | 0 | 0 | 110.9 | R31 R32 L306 M357 | R31-E310 VanDerWaalsContact CD-CD 3.47Å; R31-E310 WeakPolarHBondContact CD-OE1 2.96Å; R31-E310 IonicContact NE-OE1 2.81Å; R32-E310 IonicContact CZ-OE1 3.56Å; R32-E310 IonicContact CZ-OE2 2.72Å; R32-E310 IonicContact NH1-OE1 3.55Å; R32-E310 IonicContact NH1-OE2 2.82Å; R32-E310 PolarHBondContact NH1-OE2 3.2Å; R32-E310 IonicContact NH2-OE1 3.5Å; R32-E310 PolarHBondContact NH2-OE1 3.02Å; R32-E310 IonicContact NH2-OE2 2.83Å; R32-E310 PolarHBondContact NH2-OE2 2.91Å; L306-E310 HydrophobicContact CB-CB 4.13Å; L306-E310 PolarHBondContact N-O 2.81Å; E310-M357 HydrophobicContact CG-CE 3.96Å | ||
| 311 | Y | 93.5 | Very high | 92 | Very high | 39 Ų | 39 | 57.2 Ų | 57.2 | 15% | 0.153 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 148.2 | 176.3 | -71.6 | -102 | 0 | 0 | 0 | 109.5 | Q298 A303 L304 P305 L353 S354 | Q298-Y311 HydrophobicContact CB-CD1 3.59Å; Q298-Y311 HydrophobicContact CB-CE1 3.67Å; Q298-Y311 HydrophobicContact CB-CG 4.07Å; Q298-Y311 VanDerWaalsContact CD-CG 3.4Å; Q298-Y311 HydrophobicContact CG-CD1 3.6Å; Q298-Y311 HydrophobicContact CG-CD2 3.64Å; Q298-Y311 HydrophobicContact CG-CE1 3.76Å; Q298-Y311 HydrophobicContact CG-CE2 3.82Å; Q298-Y311 HydrophobicContact CG-CG 3.54Å; Q298-Y311 VanDerWaalsContact NE2-CD2 3.34Å; A303-Y311 HydrophobicContact CB-CD1 4.33Å; L304-Y311 CarbonylContact O-C 3.56Å; L304-Y311 VanDerWaalsContact O-CA 3.27Å; L304-Y311 WeakPolarHBondContact O-CA 3.42Å; P305-Y311 HydrophobicContact CB-CD1 4.08Å; P305-Y311 HydrophobicContact CB-CE1 3.71Å; Y311-L353 CarbonylContact O-C 3.58Å; Y311-L353 WeakPolarHBondContact O-CA 3.42Å; Y311-S354 PolarHBondContact O-N 2.88Å |
| 312 | M | 95.2 | Very high | 92.1 | Very high | 61 Ų | 61 | 58 Ų | 58 | 30% | 0.3 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 153.3 | 175.4 | 67.3 | 173.6 | -60.6 | 0 | 0 | 112.3 | A303 L304 L306 C352 L353 | A303-M312 CarbonylContact C-O 3.39Å; A303-M312 VanDerWaalsContact CA-O 3.3Å; A303-M312 WeakPolarHBondContact CA-O 3.47Å; L304-M312 HydrophobicContact CB-CG 4.39Å; L304-M312 PolarHBondContact N-O 2.85Å; L304-M312 PolarHBondContact O-N 2.74Å; L306-M312 HydrophobicContact CD1-CB 3.85Å; L306-M312 HydrophobicContact CD1-CG 4.09Å; L306-M312 HydrophobicContact CD1-SD 4.28Å; L306-M312 HydrophobicContact CD2-CG 3.96Å; L306-M312 HydrophobicContact CD2-SD 3.67Å; L306-M312 HydrophobicContact CG-CB 4.16Å; L306-M312 HydrophobicContact CG-CG 3.92Å; L306-M312 HydrophobicContact CG-SD 4.22Å; M312-C352 CarbonylContact C-O 3.54Å; M312-C352 VanDerWaalsContact CA-O 3.24Å; M312-C352 WeakPolarHBondContact CA-O 3.37Å; M312-C352 WeakPolarHBondContact CB-O 3.32Å; M312-L353 HydrophobicContact CB-CD2 4.43Å |
| 313 | V | 96.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.012 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 154.1 | 171.6 | -66 | 0 | 0 | 0 | 0 | 109.4 | I301 A303 C315 V318 L321 I341 C352 | I301-V313 HydrophobicContact CD1-CG1 4.26Å; A303-V313 HydrophobicContact CB-CG1 3.63Å; V313-C315 PolarHBondContact O-N 2.84Å; V313-V318 HydrophobicContact CG2-CG2 4.08Å; V313-L321 HydrophobicContact CG2-CD1 4.24Å; V313-I341 HydrophobicContact CG2-CD1 3.78Å; V313-I341 HydrophobicContact CG2-CG1 4.16Å; V313-I341 HydrophobicContact CG2-CG2 4.24Å; V313-C352 HydrophobicContact CG2-CB 3.99Å; V313-C352 PolarHBondContact N-O 2.51Å; V313-C352 WeakPolarHBondContact O-CB 3.32Å |
| 314 | P | 96.1 | Very high | 92.2 | Very high | 48 Ų | 48 | 59.1 Ų | 59.1 | 31% | 0.312 | 32% | 0.322 | S | S | . | . | trans | -58.6 | 127.8 | 166.3 | -21.7 | 33.6 | 0 | 0 | 0 | 110.1 | E316 K317 | P314-E316 VanDerWaalsContact CB-OE2 3.27Å; P314-E316 WeakPolarHBondContact CB-OE2 3.47Å; P314-E316 PolarHBondContact O-N 2.88Å; P314-E316 VanDerWaalsContact O-N 3.16Å; P314-K317 HydrophobicContact CB-CD 4.28Å; P314-K317 HydrophobicContact CB-CG 4.17Å; P314-K317 HydrophobicContact CG-CD 4.05Å; P314-K317 HydrophobicContact CG-CG 4.49Å; P314-K317 WeakPolarHBondContact O-CB 3.33Å; P314-K317 PolarHBondContact O-N 2.93Å | ||
| 315 | C | 96.1 | Very high | 92.5 | Very high | 36 Ų | 36 | 55.1 Ų | 55.1 | 24% | 0.243 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -60.7 | -28.6 | -174.1 | -75.6 | 0 | 0 | 0 | 0 | 113.2 | V313 K317 V318 C352 | V313-C315 PolarHBondContact O-N 2.84Å; C315-K317 PolarHBondContact O-N 2.81Å; C315-V318 WeakPolarHBondContact O-CB 3.41Å; C315-V318 VanDerWaalsContact O-CG2 3.32Å; C315-V318 WeakPolarHBondContact O-CG2 3.47Å; C315-V318 PolarHBondContact O-N 3.11Å; C315-C352 WeakPolarHBondContact CA-SG 3.36Å; C315-C352 HydrophobicContact CB-CB 4.06Å; C315-C352 WeakPolarHBondContact CB-SG 3Å; C315-C352 WeakPolarHBondContact SG-CB 3.45Å; C315-C352 PolarHBondContact SG-N 3.47Å; C315-C352 CovalentContact SG-SG 2.04Å; C315-C352 PolarHBondContact SG-SG 2.67Å |
| 316 | E | 96.6 | Very high | 92.8 | Very high | 154 Ų | 154 | 50.8 Ų | 50.8 | 72% | 0.72 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -71.4 | -21.4 | -179.9 | -45.9 | 71.5 | -154 | 0 | 0 | 111.7 | P314 | P314-E316 VanDerWaalsContact CB-OE2 3.27Å; P314-E316 WeakPolarHBondContact CB-OE2 3.47Å; P314-E316 PolarHBondContact O-N 2.88Å; P314-E316 VanDerWaalsContact O-N 3.16Å |
| 317 | K | 96.6 | Very high | 93.4 | Very high | 122 Ų | 122 | 50 Ų | 50 | 53% | 0.53 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -87.8 | -11.6 | 177.8 | -67.2 | -172.3 | 178.3 | -177.6 | 0 | 113.3 | P314 C315 P319 T320 L321 | P314-K317 HydrophobicContact CB-CD 4.28Å; P314-K317 HydrophobicContact CB-CG 4.17Å; P314-K317 HydrophobicContact CG-CD 4.05Å; P314-K317 HydrophobicContact CG-CG 4.49Å; P314-K317 WeakPolarHBondContact O-CB 3.33Å; P314-K317 PolarHBondContact O-N 2.93Å; C315-K317 PolarHBondContact O-N 2.81Å; K317-P319 VanDerWaalsContact C-CD 3.45Å; K317-P319 VanDerWaalsContact C-N 3.33Å; K317-T320 PolarHBondContact O-N 2.94Å; K317-T320 PolarHBondContact O-OG1 2.9Å; K317-L321 WeakPolarHBondContact O-CG 3.29Å; K317-L321 PolarHBondContact O-N 3.48Å |
| 318 | V | 97.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -51.2 | -45 | -177.1 | 176.1 | 0 | 0 | 0 | 0 | 113 | V313 C315 T320 L321 D338 I341 C352 | V313-V318 HydrophobicContact CG2-CG2 4.08Å; C315-V318 WeakPolarHBondContact O-CB 3.41Å; C315-V318 VanDerWaalsContact O-CG2 3.32Å; C315-V318 WeakPolarHBondContact O-CG2 3.47Å; C315-V318 PolarHBondContact O-N 3.11Å; V318-T320 PolarHBondContact O-N 3.28Å; V318-T320 VanDerWaalsContact O-N 3.17Å; V318-L321 PolarHBondContact O-N 3.26Å; V318-D338 HydrophobicContact CG1-CB 4.5Å; V318-I341 HydrophobicContact CG1-CB 4.17Å; V318-I341 HydrophobicContact CG1-CG1 4.27Å; V318-I341 HydrophobicContact CG1-CG2 4.48Å; V318-I341 HydrophobicContact CG2-CB 4.31Å; V318-I341 HydrophobicContact CG2-CG1 4.27Å; V318-I341 HydrophobicContact CG2-CG2 3.85Å; V318-C352 HydrophobicContact CG2-CB 4.2Å |
| 319 | P | 97.5 | Very high | 95.6 | Very high | 97 Ų | 97 | 45.8 Ų | 45.8 | 63% | 0.63 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -66.6 | -16.8 | -179.8 | -22.4 | 35.6 | 0 | 0 | 0 | 114.7 | K317 | K317-P319 VanDerWaalsContact C-CD 3.45Å; K317-P319 VanDerWaalsContact C-N 3.33Å |
| 320 | T | 96.7 | Very high | 96.1 | Very high | 115 Ų | 115 | 47.9 Ų | 47.9 | 71% | 0.706 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -105.7 | 0.4 | -177.4 | 66.1 | 0 | 0 | 0 | 0 | 113.3 | K317 V318 | K317-T320 PolarHBondContact O-N 2.94Å; K317-T320 PolarHBondContact O-OG1 2.9Å; V318-T320 PolarHBondContact O-N 3.28Å; V318-T320 VanDerWaalsContact O-N 3.17Å |
| 321 | L | 98.1 | Very high | 96.6 | Very high | 20 Ų | 20 | 50.9 Ų | 50.9 | 11% | 0.105 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -66.8 | 148.2 | 177.7 | -58.9 | 177 | 0 | 0 | 0 | 111.2 | I301 V313 K317 V318 Y340 I341 | I301-L321 HydrophobicContact CB-CD2 4.45Å; V313-L321 HydrophobicContact CG2-CD1 4.24Å; K317-L321 WeakPolarHBondContact O-CG 3.29Å; K317-L321 PolarHBondContact O-N 3.48Å; V318-L321 PolarHBondContact O-N 3.26Å; L321-Y340 WeakPolarHBondContact CB-OH 3.42Å; L321-Y340 HydrophobicContact CD1-CE2 4.02Å; L321-I341 HydrophobicContact CD1-CD1 3.86Å; L321-I341 HydrophobicContact CD1-CG1 3.53Å |
| 322 | P | 98.1 | Very high | 96.7 | Very high | 27 Ų | 27 | 53.2 Ų | 53.2 | 18% | 0.175 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 148 | -177.9 | 28.5 | -36.7 | 0 | 0 | 0 | 111.8 | I265 I301 I324 Y340 | I265-P322 HydrophobicContact CG2-CB 4.38Å; I265-P322 HydrophobicContact CG2-CG 3.85Å; I301-P322 HydrophobicContact CG2-CG 3.83Å; P322-I324 PolarHBondContact O-N 2.89Å; P322-Y340 WeakPolarHBondContact O-CE1 3.25Å; P322-Y340 PolarHBondContact O-OH 2.95Å |
| 323 | I | 98.5 | Very high | 96.9 | Very high | 86 Ų | 86 | 50.7 Ų | 50.7 | 44% | 0.441 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 134 | 169.6 | -63 | 173.9 | 0 | 0 | 0 | 108.8 | G266 L335 | G266-I323 PolarHBondContact N-O 2.82Å; I323-L335 WeakPolarHBondContact CA-O 3.31Å |
| 324 | I | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 126.6 | 173.2 | -60.9 | 172.9 | 0 | 0 | 0 | 108 | M263 A264 I265 L297 P322 F326 S334 L335 Y340 F356 | M263-I324 HydrophobicContact CG-CG2 4.16Å; M263-I324 HydrophobicContact SD-CG2 4.16Å; A264-I324 CarbonylContact O-C 3.57Å; A264-I324 WeakPolarHBondContact O-CA 3.07Å; I265-I324 HydrophobicContact CG1-CG1 4.15Å; I265-I324 HydrophobicContact CG1-CG2 4.34Å; I265-I324 HydrophobicContact CG2-CG1 4.28Å; L297-I324 HydrophobicContact CD1-CD1 4.23Å; L297-I324 HydrophobicContact CD2-CD1 4.39Å; L297-I324 HydrophobicContact CG-CD1 4.46Å; P322-I324 PolarHBondContact O-N 2.89Å; I324-F326 HydrophobicContact CG2-CE2 3.85Å; I324-F326 HydrophobicContact CG2-CZ 3.94Å; I324-S334 CarbonylContact O-C 3.3Å; I324-S334 WeakPolarHBondContact O-CA 3.39Å; I324-L335 PolarHBondContact N-O 3.11Å; I324-L335 PolarHBondContact O-N 3.23Å; I324-Y340 HydrophobicContact CB-CD1 4.48Å; I324-Y340 HydrophobicContact CB-CE1 4.46Å; I324-Y340 HydrophobicContact CD1-CD1 3.82Å; I324-Y340 HydrophobicContact CD1-CD2 4.13Å; I324-Y340 HydrophobicContact CD1-CE1 3.65Å; I324-Y340 HydrophobicContact CD1-CE2 3.99Å; I324-Y340 HydrophobicContact CD1-CG 4.06Å; I324-Y340 HydrophobicContact CG1-CD1 4.21Å; I324-Y340 HydrophobicContact CG1-CE1 3.83Å; I324-F356 HydrophobicContact CB-CZ 4.49Å; I324-F356 HydrophobicContact CD1-CD2 4.27Å; I324-F356 HydrophobicContact CD1-CE2 3.34Å; I324-F356 HydrophobicContact CD1-CZ 3.52Å; I324-F356 HydrophobicContact CG2-CZ 3.99Å |
| 325 | T | 98.5 | Very high | 97.1 | Very high | 26 Ų | 26 | 50.3 Ų | 50.3 | 16% | 0.16 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 123.8 | -171.4 | -65.3 | 0 | 0 | 0 | 0 | 110.4 | M263 A264 T332 Y333 S334 | M263-T325 CarbonylContact C-O 3.58Å; M263-T325 VanDerWaalsContact CA-O 3.27Å; M263-T325 WeakPolarHBondContact CA-O 3.4Å; A264-T325 PolarHBondContact N-O 3.48Å; A264-T325 PolarHBondContact O-N 3.49Å; T325-T332 HydrophobicContact CG2-CG2 3.15Å; T325-Y333 CarbonylContact C-O 3.58Å; T325-Y333 WeakPolarHBondContact CA-O 3.4Å; T325-S334 PolarHBondContact OG1-OG 3.5Å |
| 326 | F | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 130.2 | 175 | -51.9 | -102.5 | 0 | 0 | 0 | 108.2 | M260 M263 I287 I324 I328 Y333 L335 F356 L371 F375 | M260-F326 HydrophobicContact SD-CB 4.23Å; M260-F326 HydrophobicContact SD-CD1 3.77Å; M260-F326 HydrophobicContact SD-CG 4.5Å; M263-F326 HydrophobicContact CE-CD1 3.62Å; M263-F326 HydrophobicContact CE-CE1 3.34Å; M263-F326 HydrophobicContact CE-CZ 4.31Å; M263-F326 HydrophobicContact CG-CD1 4.37Å; M263-F326 HydrophobicContact CG-CE1 4.45Å; M263-F326 HydrophobicContact SD-CD1 4.43Å; M263-F326 HydrophobicContact SD-CE1 4Å; M263-F326 HydrophobicContact SD-CZ 4.46Å; I287-F326 HydrophobicContact CD1-CE1 4.32Å; I287-F326 HydrophobicContact CD1-CE2 4.48Å; I287-F326 HydrophobicContact CD1-CZ 3.7Å; I287-F326 HydrophobicContact CG2-CE1 4.44Å; I324-F326 HydrophobicContact CG2-CE2 3.85Å; I324-F326 HydrophobicContact CG2-CZ 3.94Å; F326-I328 HydrophobicContact CB-CD1 4.26Å; F326-I328 HydrophobicContact CB-CG1 4.24Å; F326-Y333 WeakPolarHBondContact CD2-O 3.45Å; F326-Y333 PolarHBondContact N-O 3.05Å; F326-Y333 PolarHBondContact O-N 3.01Å; F326-L335 HydrophobicContact CE2-CD1 3.61Å; F326-L335 HydrophobicContact CE2-CG 3.86Å; F326-L335 HydrophobicContact CZ-CD1 4.11Å; F326-F356 HydrophobicContact CZ-CE1 4.03Å; F326-F356 HydrophobicContact CZ-CZ 4.02Å; F326-L371 HydrophobicContact CD1-CD2 4Å; F326-L371 HydrophobicContact CE1-CD2 3.88Å; F326-F375 HydrophobicContact CB-CE2 4.46Å; F326-F375 HydrophobicContact CD2-CD2 4.22Å; F326-F375 HydrophobicContact CD2-CE2 4.1Å; F326-F375 HydrophobicContact CE2-CD2 4.34Å; F326-F375 HydrophobicContact CG-CE2 4.21Å |
| 327 | N | 97.9 | Very high | 97.2 | Very high | 51 Ų | 51 | 44.1 Ų | 44.1 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 114.6 | 172.1 | -63.2 | -52.1 | 0 | 0 | 0 | 108.2 | M260 D261 G262 Q331 T332 | M260-N327 CarbonylContact C-O 3.56Å; M260-N327 VanDerWaalsContact CG-O 3.32Å; M260-N327 WeakPolarHBondContact CG-O 3.28Å; D261-N327 HydrophobicContact CB-CB 4.05Å; D261-N327 PolarHBondContact N-O 3.35Å; G262-N327 PolarHBondContact O-N 3.07Å; N327-Q331 CarbonylContact C-O 3.53Å; N327-Q331 WeakPolarHBondContact CA-O 3.45Å; N327-T332 PolarHBondContact OD1-OG1 2.98Å; N327-T332 VanDerWaalsContact OD1-OG1 3.14Å |
| 328 | I | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 118.2 | -174.8 | -46.9 | 176.1 | 0 | 0 | 0 | 107.7 | V248 V258 H259 M260 F326 G330 Q331 Y333 L371 F375 | V248-I328 HydrophobicContact CB-CG2 4.45Å; V248-I328 HydrophobicContact CG1-CG2 4.25Å; V248-I328 HydrophobicContact CG2-CG2 3.96Å; V258-I328 HydrophobicContact CB-CG2 4.47Å; V258-I328 HydrophobicContact CG2-CG2 4.04Å; H259-I328 WeakPolarHBondContact O-CG2 3.37Å; M260-I328 HydrophobicContact CB-CG1 4.44Å; M260-I328 HydrophobicContact CG-CG1 4.09Å; F326-I328 HydrophobicContact CB-CD1 4.26Å; F326-I328 HydrophobicContact CB-CG1 4.24Å; I328-G330 VanDerWaalsContact C-N 3.27Å; I328-G330 PolarHBondContact O-N 3.22Å; I328-Q331 PolarHBondContact N-O 3.15Å; I328-Q331 PolarHBondContact O-N 2.81Å; I328-Q331 VanDerWaalsContact O-N 3.11Å; I328-Y333 HydrophobicContact CB-CD2 4.17Å; I328-Y333 HydrophobicContact CB-CE2 3.93Å; I328-Y333 HydrophobicContact CD1-CD2 4.14Å; I328-Y333 HydrophobicContact CD1-CE2 4.47Å; I328-Y333 HydrophobicContact CG1-CD2 4.12Å; I328-Y333 HydrophobicContact CG1-CE2 4.38Å; I328-L371 HydrophobicContact CD1-CD1 3.72Å; I328-F375 HydrophobicContact CD1-CE2 4.46Å; I328-F375 HydrophobicContact CD1-CZ 4.1Å |
| 329 | G | 91.8 | Very high | 97.1 | Very high | 48 Ų | 48 | 44 Ų | 44 | 50% | 0.495 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 34.8 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | D261 Q331 | D261-G329 PolarHBondContact OD2-N 2.8Å; G329-Q331 PolarHBondContact O-N 3.04Å |
| 330 | G | 91.3 | Very high | 97.1 | Very high | 60 Ų | 60 | 39.3 Ų | 39.3 | 62% | 0.619 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | 2.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | D261 I328 | D261-G330 PolarHBondContact OD2-N 3.45Å; I328-G330 VanDerWaalsContact C-N 3.27Å; I328-G330 PolarHBondContact O-N 3.22Å |
| 331 | Q | 95.9 | Very high | 97.1 | Very high | 76 Ų | 76 | 34 Ų | 34 | 36% | 0.355 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 149.1 | 175.9 | -66.4 | -68.8 | 54.1 | 0 | 0 | 112.2 | H246 N327 I328 G329 Y333 | H246-Q331 HydrophobicContact CB-CG 4.08Å; H246-Q331 PolarHBondContact CD2-NE2 2.89Å; H246-Q331 PolarHBondContact CE1-NE2 2.77Å; H246-Q331 PolarHBondContact ND1-NE2 3.06Å; H246-Q331 PolarHBondContact NE2-NE2 3.35Å; H246-Q331 VanDerWaalsContact NE2-NE2 3.17Å; N327-Q331 CarbonylContact C-O 3.53Å; N327-Q331 WeakPolarHBondContact CA-O 3.45Å; I328-Q331 PolarHBondContact N-O 3.15Å; I328-Q331 PolarHBondContact O-N 2.81Å; I328-Q331 VanDerWaalsContact O-N 3.11Å; G329-Q331 PolarHBondContact O-N 3.04Å; Q331-Y333 HydrophobicContact CB-CE2 3.89Å |
| 332 | T | 97.2 | Very high | 96.8 | Very high | 87 Ų | 87 | 33.8 Ų | 33.8 | 53% | 0.534 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.9 | -172.9 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | T325 N327 | T325-T332 HydrophobicContact CG2-CG2 3.15Å; N327-T332 PolarHBondContact OD1-OG1 2.98Å; N327-T332 VanDerWaalsContact OD1-OG1 3.14Å |
| 333 | Y | 98.4 | Very high | 96.5 | Very high | 9 Ų | 9 | 38.1 Ų | 38.1 | 4% | 0.035 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 122 | 177.5 | -56.6 | -88.5 | 0 | 0 | 0 | 108.9 | H246 T325 F326 I328 Q331 F375 Y379 F392 | H246-Y333 WeakPolarHBondContact CB-OH 3.44Å; T325-Y333 CarbonylContact C-O 3.58Å; T325-Y333 WeakPolarHBondContact CA-O 3.4Å; F326-Y333 WeakPolarHBondContact CD2-O 3.45Å; F326-Y333 PolarHBondContact N-O 3.05Å; F326-Y333 PolarHBondContact O-N 3.01Å; I328-Y333 HydrophobicContact CB-CD2 4.17Å; I328-Y333 HydrophobicContact CB-CE2 3.93Å; I328-Y333 HydrophobicContact CD1-CD2 4.14Å; I328-Y333 HydrophobicContact CD1-CE2 4.47Å; I328-Y333 HydrophobicContact CG1-CD2 4.12Å; I328-Y333 HydrophobicContact CG1-CE2 4.38Å; Q331-Y333 HydrophobicContact CB-CE2 3.89Å; Y333-F375 HydrophobicContact CD1-CZ 4.24Å; Y333-F375 HydrophobicContact CG-CE2 4.34Å; Y333-F375 HydrophobicContact CG-CZ 4.03Å; Y333-Y379 WeakPolarHBondContact CA-OH 3.24Å; Y333-Y379 AromaticContact CD1-CD1 3.72Å; Y333-Y379 HydrophobicContact CD1-CD1 3.72Å; Y333-Y379 HydrophobicContact CD1-CD2 4.33Å; Y333-Y379 AromaticContact CD1-CE1 3.61Å; Y333-Y379 HydrophobicContact CD1-CE1 3.61Å; Y333-Y379 HydrophobicContact CD1-CE2 4.24Å; Y333-Y379 HydrophobicContact CD1-CG 4.08Å; Y333-Y379 AromaticContact CD1-CZ 3.87Å; Y333-Y379 HydrophobicContact CE1-CD1 4.31Å; Y333-Y379 HydrophobicContact CE1-CE1 4.46Å; Y333-Y379 HydrophobicContact CG-CE1 4.49Å; Y333-F392 HydrophobicContact CD1-CB 4.35Å; Y333-F392 HydrophobicContact CE1-CB 3.46Å; Y333-F392 VanDerWaalsContact CE1-CB 3.46Å; Y333-F392 HydrophobicContact CE1-CD2 4.21Å; Y333-F392 HydrophobicContact CE1-CG 4.12Å; Y333-F392 HydrophobicContact CE2-CD2 4.42Å; Y333-F392 AromaticContact CZ-CD2 3.84Å |
| 334 | S | 98.3 | Very high | 95.9 | Very high | 41 Ų | 41 | 35.5 Ų | 35.5 | 29% | 0.287 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 136 | -171.9 | -68.5 | 0 | 0 | 0 | 0 | 112.1 | I324 T325 Y379 | I324-S334 CarbonylContact O-C 3.3Å; I324-S334 WeakPolarHBondContact O-CA 3.39Å; T325-S334 PolarHBondContact OG1-OG 3.5Å; S334-Y379 PolarHBondContact N-OH 3.27Å; S334-Y379 PolarHBondContact O-OH 2.02Å; S334-Y379 VanDerWaalsContact O-OH 3.04Å |
| 335 | L | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 126.4 | 174.4 | -55.9 | -178.5 | 0 | 0 | 0 | 109.8 | I287 I323 I324 F326 Q339 Y340 V374 Q378 Y379 | I287-L335 HydrophobicContact CD1-CD1 3.79Å; I323-L335 WeakPolarHBondContact CA-O 3.31Å; I324-L335 PolarHBondContact N-O 3.11Å; I324-L335 PolarHBondContact O-N 3.23Å; F326-L335 HydrophobicContact CE2-CD1 3.61Å; F326-L335 HydrophobicContact CE2-CG 3.86Å; F326-L335 HydrophobicContact CZ-CD1 4.11Å; L335-Q339 HydrophobicContact CB-CB 4.33Å; L335-Q339 HydrophobicContact CD2-CB 4.45Å; L335-Y340 HydrophobicContact CB-CD1 3.97Å; L335-V374 HydrophobicContact CD1-CG1 4.15Å; L335-Q378 HydrophobicContact CD2-CB 3.74Å; L335-Q378 HydrophobicContact CD2-CG 3.67Å; L335-Y379 HydrophobicContact CD2-CE2 3.93Å |
| 336 | T | 98.2 | Very high | 94.3 | Very high | 57 Ų | 57 | 40.4 Ų | 40.4 | 35% | 0.35 | 24% | 0.244 | S | C | . | . | trans | -78.7 | 165.8 | 169.9 | 67.3 | 0 | 0 | 0 | 0 | 111.3 | D338 Q339 Y340 | T336-D338 VanDerWaalsContact C-N 3.3Å; T336-D338 PolarHBondContact O-N 3.34Å; T336-Q339 WeakPolarHBondContact O-CA 3.21Å; T336-Q339 WeakPolarHBondContact O-CB 3.23Å; T336-Q339 PolarHBondContact O-N 3.3Å; T336-Q339 WeakPolarHBondContact OG1-CG 3.32Å; T336-Q339 PolarHBondContact OG1-OE1 2.89Å; T336-Y340 VanDerWaalsContact C-CD1 3.49Å; T336-Y340 VanDerWaalsContact C-CE1 3.47Å; T336-Y340 WeakPolarHBondContact O-CD1 3.39Å; T336-Y340 WeakPolarHBondContact O-CE1 3.48Å; T336-Y340 PolarHBondContact O-N 2.9Å | ||
| 337 | G | 97.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -49.8 | -47.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q339 Y340 I341 | G337-Q339 PolarHBondContact O-N 3.35Å; G337-Y340 PolarHBondContact O-N 2.81Å; G337-I341 VanDerWaalsContact O-CB 3.25Å; G337-I341 WeakPolarHBondContact O-CB 3.18Å; G337-I341 WeakPolarHBondContact O-CG1 3.14Å; G337-I341 PolarHBondContact O-N 2.93Å |
| 338 | D | 96 | Very high | 92.5 | Very high | 79 Ų | 79 | 46.4 Ų | 46.4 | 42% | 0.422 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.6 | -22.5 | 177 | -72.9 | -71.9 | 0 | 0 | 0 | 113.9 | V318 T336 K343 | V318-D338 HydrophobicContact CG1-CB 4.5Å; T336-D338 VanDerWaalsContact C-N 3.3Å; T336-D338 PolarHBondContact O-N 3.34Å; D338-K343 IonicContact OD1-NZ 2.78Å; D338-K343 PolarHBondContact OD1-NZ 3.01Å |
| 339 | Q | 96.6 | Very high | 92 | Very high | 40 Ų | 40 | 54 Ų | 54 | 19% | 0.187 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -85.3 | -40.2 | 178.8 | -70.3 | 168.4 | -23.2 | 0 | 0 | 111.6 | R221 L335 T336 G337 Q378 | R221-Q339 PolarHBondContact NH1-O 3.21Å; R221-Q339 PolarHBondContact NH2-O 3.3Å; L335-Q339 HydrophobicContact CB-CB 4.33Å; L335-Q339 HydrophobicContact CD2-CB 4.45Å; T336-Q339 WeakPolarHBondContact O-CA 3.21Å; T336-Q339 WeakPolarHBondContact O-CB 3.23Å; T336-Q339 PolarHBondContact O-N 3.3Å; T336-Q339 WeakPolarHBondContact OG1-CG 3.32Å; T336-Q339 PolarHBondContact OG1-OE1 2.89Å; G337-Q339 PolarHBondContact O-N 3.35Å; Q339-Q378 HydrophobicContact CB-CG 4.02Å; Q339-Q378 VanDerWaalsContact CD-OE1 3.25Å; Q339-Q378 HydrophobicContact CG-CG 4.09Å |
| 340 | Y | 96.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -96.2 | -3.5 | -179.1 | 68.4 | -106 | 0 | 0 | 0 | 114.7 | I301 L321 P322 I324 L335 T336 G337 G355 F356 | I301-Y340 HydrophobicContact CD1-CE2 4.2Å; L321-Y340 WeakPolarHBondContact CB-OH 3.42Å; L321-Y340 HydrophobicContact CD1-CE2 4.02Å; P322-Y340 WeakPolarHBondContact O-CE1 3.25Å; P322-Y340 PolarHBondContact O-OH 2.95Å; I324-Y340 HydrophobicContact CB-CD1 4.48Å; I324-Y340 HydrophobicContact CB-CE1 4.46Å; I324-Y340 HydrophobicContact CD1-CD1 3.82Å; I324-Y340 HydrophobicContact CD1-CD2 4.13Å; I324-Y340 HydrophobicContact CD1-CE1 3.65Å; I324-Y340 HydrophobicContact CD1-CE2 3.99Å; I324-Y340 HydrophobicContact CD1-CG 4.06Å; I324-Y340 HydrophobicContact CG1-CD1 4.21Å; I324-Y340 HydrophobicContact CG1-CE1 3.83Å; L335-Y340 HydrophobicContact CB-CD1 3.97Å; T336-Y340 VanDerWaalsContact C-CD1 3.49Å; T336-Y340 VanDerWaalsContact C-CE1 3.47Å; T336-Y340 WeakPolarHBondContact O-CD1 3.39Å; T336-Y340 WeakPolarHBondContact O-CE1 3.48Å; T336-Y340 PolarHBondContact O-N 2.9Å; G337-Y340 PolarHBondContact O-N 2.81Å; Y340-G355 WeakPolarHBondContact O-CA 3.33Å; Y340-G355 PolarHBondContact O-N 2.78Å; Y340-F356 HydrophobicContact CD2-CD2 4.32Å; Y340-F356 AromaticContact CD2-CE2 3.88Å; Y340-F356 HydrophobicContact CD2-CE2 3.88Å; Y340-F356 AromaticContact CG-CE2 3.85Å; Y340-F356 HydrophobicContact CG-CE2 3.85Å |
| 341 | I | 96.8 | Very high | 91.9 | Very high | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 130.4 | 171.4 | -62.3 | -57.4 | 0 | 0 | 0 | 110.6 | V313 V318 L321 G337 C352 L353 | V313-I341 HydrophobicContact CG2-CD1 3.78Å; V313-I341 HydrophobicContact CG2-CG1 4.16Å; V313-I341 HydrophobicContact CG2-CG2 4.24Å; V318-I341 HydrophobicContact CG1-CB 4.17Å; V318-I341 HydrophobicContact CG1-CG1 4.27Å; V318-I341 HydrophobicContact CG1-CG2 4.48Å; V318-I341 HydrophobicContact CG2-CB 4.31Å; V318-I341 HydrophobicContact CG2-CG1 4.27Å; V318-I341 HydrophobicContact CG2-CG2 3.85Å; L321-I341 HydrophobicContact CD1-CD1 3.86Å; L321-I341 HydrophobicContact CD1-CG1 3.53Å; G337-I341 VanDerWaalsContact O-CB 3.25Å; G337-I341 WeakPolarHBondContact O-CB 3.18Å; G337-I341 WeakPolarHBondContact O-CG1 3.14Å; G337-I341 PolarHBondContact O-N 2.93Å; I341-C352 HydrophobicContact CG2-CB 3.7Å; I341-L353 CarbonylContact C-O 3.56Å; I341-L353 WeakPolarHBondContact CA-O 3.31Å |
| 342 | L | 92.5 | Very high | 91.9 | Very high | 14 Ų | 14 | 51 Ų | 51 | 7% | 0.073 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 118.5 | 173.6 | -61.4 | 171.9 | 0 | 0 | 0 | 109.5 | L286 C352 L353 V374 | L286-L342 HydrophobicContact CD2-CD1 3.42Å; L286-L342 VanDerWaalsContact CD2-CD1 3.42Å; L342-C352 WeakPolarHBondContact O-CA 3.4Å; L342-L353 HydrophobicContact CB-CB 4.3Å; L342-L353 PolarHBondContact N-O 3.33Å; L342-L353 PolarHBondContact O-N 2.52Å; L342-V374 HydrophobicContact CD2-CG2 4.33Å |
| 343 | K | 90.8 | Very high | 91.7 | Very high | 119 Ų | 119 | 47 Ų | 47 | 52% | 0.517 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 106.1 | 174.4 | -63.3 | 177.1 | -173.6 | 167.2 | 0 | 107.9 | D338 T350 | D338-K343 IonicContact OD1-NZ 2.78Å; D338-K343 PolarHBondContact OD1-NZ 3.01Å; K343-T350 HydrophobicContact CB-CG2 4.18Å |
| 344 | E | 86.6 | Confident | 91.7 | Very high | 30 Ų | 30 | 46.8 Ų | 46.8 | 14% | 0.14 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 143.2 | -178.2 | -67.6 | -66.1 | 160.7 | 0 | 0 | 110.2 | T350 I351 L353 | E344-T350 CarbonylContact O-C 3.55Å; E344-T350 WeakPolarHBondContact O-CA 3.32Å; E344-I351 HydrophobicContact CB-CD1 4.29Å; E344-I351 HydrophobicContact CB-CG1 3.81Å; E344-I351 PolarHBondContact N-O 2.85Å; E344-I351 WeakPolarHBondContact O-CG1 3.43Å; E344-I351 PolarHBondContact O-N 3.15Å; E344-L353 HydrophobicContact CB-CD1 3.99Å; E344-L353 HydrophobicContact CG-CD1 3.64Å |
| 345 | S | 84.1 | Confident | 91.5 | Very high | 73 Ų | 73 | 44.9 Ų | 44.9 | 51% | 0.51 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 123.6 | 170 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | R28 | R28-S345 PolarHBondContact NH2-O 3.01Å |
| 346 | Q | 78.5 | Confident | 91.4 | Very high | 57 Ų | 57 | 44.9 Ų | 44.9 | 27% | 0.266 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 121.5 | 176 | 178.8 | 163.2 | 73.1 | 0 | 0 | 109.4 | T35 D36 G348 K349 I351 | T35-Q346 VanDerWaalsContact CG2-NE2 3.28Å; D36-Q346 PolarHBondContact OD1-NE2 2.94Å; Q346-G348 PolarHBondContact O-N 3.27Å; Q346-G348 VanDerWaalsContact O-N 3.14Å; Q346-K349 PolarHBondContact N-O 2.89Å; Q346-K349 PolarHBondContact O-N 2.88Å; Q346-K349 VanDerWaalsContact O-O 3.14Å; Q346-I351 HydrophobicContact CB-CD1 4.04Å; Q346-I351 HydrophobicContact CB-CG1 4.4Å; Q346-I351 HydrophobicContact CB-CG2 4.46Å |
| 347 | A | 79.1 | Confident | 91 | Very high | 103 Ų | 103 | 42.9 Ų | 42.9 | 85% | 0.851 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 38.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K349 | A347-K349 VanDerWaalsContact C-N 3.3Å; A347-K349 PolarHBondContact O-N 2.75Å |
| 348 | G | 80.3 | Confident | 90.7 | Very high | 73 Ų | 73 | 44.6 Ų | 44.6 | 75% | 0.753 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 7.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q346 | Q346-G348 PolarHBondContact O-N 3.27Å; Q346-G348 VanDerWaalsContact O-N 3.14Å |
| 349 | K | 85.8 | Confident | 90.2 | Very high | 161 Ų | 161 | 42.9 Ų | 42.9 | 70% | 0.7 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 140.5 | 173.5 | -66.6 | -177 | 179.2 | 179.7 | 0 | 110.8 | Q346 A347 | Q346-K349 PolarHBondContact N-O 2.89Å; Q346-K349 PolarHBondContact O-N 2.88Å; Q346-K349 VanDerWaalsContact O-O 3.14Å; A347-K349 VanDerWaalsContact C-N 3.3Å; A347-K349 PolarHBondContact O-N 2.75Å |
| 350 | T | 90.6 | Very high | 89.7 | Confident | 92 Ų | 92 | 45.5 Ų | 45.5 | 56% | 0.564 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 125.5 | 172.8 | -52.6 | 0 | 0 | 0 | 0 | 110 | K343 E344 | K343-T350 HydrophobicContact CB-CG2 4.18Å; E344-T350 CarbonylContact O-C 3.55Å; E344-T350 WeakPolarHBondContact O-CA 3.32Å |
| 351 | I | 91.6 | Very high | 89 | Confident | 29 Ų | 29 | 46 Ų | 46 | 15% | 0.149 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 142.9 | 168.7 | 64.1 | 173.8 | 0 | 0 | 0 | 109.2 | E344 Q346 L353 | E344-I351 HydrophobicContact CB-CD1 4.29Å; E344-I351 HydrophobicContact CB-CG1 3.81Å; E344-I351 PolarHBondContact N-O 2.85Å; E344-I351 WeakPolarHBondContact O-CG1 3.43Å; E344-I351 PolarHBondContact O-N 3.15Å; Q346-I351 HydrophobicContact CB-CD1 4.04Å; Q346-I351 HydrophobicContact CB-CG1 4.4Å; Q346-I351 HydrophobicContact CB-CG2 4.46Å; I351-L353 HydrophobicContact CD1-CD1 3.7Å; I351-L353 HydrophobicContact CD1-CD2 4.3Å; I351-L353 HydrophobicContact CD1-CG 4.12Å; I351-L353 HydrophobicContact CG1-CD1 3.99Å; I351-L353 HydrophobicContact CG1-CG 4.24Å |
| 352 | C | 95 | Very high | 88 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 105.6 | -178.3 | -70.8 | 0 | 0 | 0 | 0 | 109.9 | M312 V313 C315 V318 I341 L342 | M312-C352 CarbonylContact C-O 3.54Å; M312-C352 VanDerWaalsContact CA-O 3.24Å; M312-C352 WeakPolarHBondContact CA-O 3.37Å; M312-C352 WeakPolarHBondContact CB-O 3.32Å; V313-C352 HydrophobicContact CG2-CB 3.99Å; V313-C352 PolarHBondContact N-O 2.51Å; V313-C352 WeakPolarHBondContact O-CB 3.32Å; C315-C352 WeakPolarHBondContact CA-SG 3.36Å; C315-C352 HydrophobicContact CB-CB 4.06Å; C315-C352 WeakPolarHBondContact CB-SG 3Å; C315-C352 WeakPolarHBondContact SG-CB 3.45Å; C315-C352 PolarHBondContact SG-N 3.47Å; C315-C352 CovalentContact SG-SG 2.04Å; C315-C352 PolarHBondContact SG-SG 2.67Å; V318-C352 HydrophobicContact CG2-CB 4.2Å; I341-C352 HydrophobicContact CG2-CB 3.7Å; L342-C352 WeakPolarHBondContact O-CA 3.4Å |
| 353 | L | 94.3 | Very high | 87.1 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 138.7 | -171.9 | -65.7 | 154.6 | 0 | 0 | 0 | 110.3 | L306 Y311 M312 I341 L342 E344 I351 G355 | L306-L353 HydrophobicContact CD1-CD2 3.45Å; L306-L353 VanDerWaalsContact CD1-CD2 3.45Å; Y311-L353 CarbonylContact O-C 3.58Å; Y311-L353 WeakPolarHBondContact O-CA 3.42Å; M312-L353 HydrophobicContact CB-CD2 4.43Å; I341-L353 CarbonylContact C-O 3.56Å; I341-L353 WeakPolarHBondContact CA-O 3.31Å; L342-L353 HydrophobicContact CB-CB 4.3Å; L342-L353 PolarHBondContact N-O 3.33Å; L342-L353 PolarHBondContact O-N 2.52Å; E344-L353 HydrophobicContact CB-CD1 3.99Å; E344-L353 HydrophobicContact CG-CD1 3.64Å; I351-L353 HydrophobicContact CD1-CD1 3.7Å; I351-L353 HydrophobicContact CD1-CD2 4.3Å; I351-L353 HydrophobicContact CD1-CG 4.12Å; I351-L353 HydrophobicContact CG1-CD1 3.99Å; I351-L353 HydrophobicContact CG1-CG 4.24Å; L353-G355 PolarHBondContact O-N 2.89Å |
| 354 | S | 96.6 | Very high | 86.3 | Confident | 5 Ų | 5 | 50.8 Ų | 50.8 | 4% | 0.035 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 128.6 | 173.1 | -171.6 | 0 | 0 | 0 | 0 | 109.7 | Q298 Y311 F356 | Q298-S354 PolarHBondContact NE2-OG 3.15Å; Q298-S354 PolarHBondContact OE1-OG 3.35Å; Y311-S354 PolarHBondContact O-N 2.88Å; S354-F356 PolarHBondContact O-N 2.9Å |
| 355 | G | 95.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -70.7 | 10.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | I287 Y340 L353 | I287-G355 PolarHBondContact N-O 3.36Å; Y340-G355 WeakPolarHBondContact O-CA 3.33Å; Y340-G355 PolarHBondContact O-N 2.78Å; L353-G355 PolarHBondContact O-N 2.89Å |
| 356 | F | 96 | Very high | 85.4 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 135.5 | -179.9 | -66.3 | -93.8 | 0 | 0 | 0 | 111.3 | I287 V294 L297 Q298 I324 F326 Y340 S354 W369 | I287-F356 HydrophobicContact CB-CD1 3.82Å; I287-F356 HydrophobicContact CB-CE1 3.88Å; I287-F356 HydrophobicContact CD1-CE1 3.93Å; I287-F356 HydrophobicContact CD1-CZ 3.94Å; I287-F356 HydrophobicContact CG2-CD1 3.68Å; I287-F356 HydrophobicContact CG2-CE1 3.59Å; I287-F356 CarbonylContact O-C 3.59Å; I287-F356 VanDerWaalsContact O-CA 3.24Å; I287-F356 WeakPolarHBondContact O-CA 3.37Å; V294-F356 HydrophobicContact CG1-CB 4.5Å; L297-F356 HydrophobicContact CD1-CD1 3.67Å; L297-F356 HydrophobicContact CD1-CD2 4.35Å; L297-F356 HydrophobicContact CD1-CE1 3.72Å; L297-F356 HydrophobicContact CD1-CE2 4.41Å; L297-F356 HydrophobicContact CD1-CG 4Å; L297-F356 HydrophobicContact CD1-CZ 4.12Å; L297-F356 HydrophobicContact CD2-CB 4.17Å; L297-F356 HydrophobicContact CD2-CD1 4.46Å; L297-F356 HydrophobicContact CD2-CD2 3.93Å; L297-F356 HydrophobicContact CD2-CE2 4.46Å; L297-F356 HydrophobicContact CD2-CG 3.93Å; Q298-F356 PolarHBondContact NE2-O 2.86Å; I324-F356 HydrophobicContact CB-CZ 4.49Å; I324-F356 HydrophobicContact CD1-CD2 4.27Å; I324-F356 HydrophobicContact CD1-CE2 3.34Å; I324-F356 HydrophobicContact CD1-CZ 3.52Å; I324-F356 HydrophobicContact CG2-CZ 3.99Å; F326-F356 HydrophobicContact CZ-CE1 4.03Å; F326-F356 HydrophobicContact CZ-CZ 4.02Å; Y340-F356 HydrophobicContact CD2-CD2 4.32Å; Y340-F356 AromaticContact CD2-CE2 3.88Å; Y340-F356 HydrophobicContact CD2-CE2 3.88Å; Y340-F356 AromaticContact CG-CE2 3.85Å; Y340-F356 HydrophobicContact CG-CE2 3.85Å; S354-F356 PolarHBondContact O-N 2.9Å; F356-W369 HydrophobicContact CD1-CZ3 4.33Å |
| 357 | M | 90.8 | Very high | 85.9 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 7% | 0.069 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 145.5 | 179 | -171.1 | 174.9 | -138.4 | 0 | 0 | 111.7 | L286 I287 T288 G289 Q308 E310 | L286-M357 HydrophobicContact CB-CB 4.47Å; L286-M357 HydrophobicContact CD1-CB 3.82Å; L286-M357 HydrophobicContact CD1-CG 4.46Å; L286-M357 HydrophobicContact CD1-SD 3.94Å; I287-M357 PolarHBondContact O-N 2.89Å; T288-M357 WeakPolarHBondContact CA-O 3.46Å; T288-M357 WeakPolarHBondContact CB-O 3.49Å; T288-M357 HydrophobicContact CG2-CB 4.39Å; G289-M357 PolarHBondContact N-O 3.46Å; Q308-M357 WeakPolarHBondContact O-CE 3.21Å; E310-M357 HydrophobicContact CG-CE 3.96Å |
| 358 | A | 90.3 | Very high | 86.5 | Confident | 40 Ų | 40 | 44.3 Ų | 44.3 | 33% | 0.331 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 129.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | A291 V294 | A291-A358 HydrophobicContact CB-CB 3.86Å; V294-A358 HydrophobicContact CB-CB 4.35Å; V294-A358 HydrophobicContact CG1-CB 4.37Å |
| 359 | L | 86.1 | Confident | 87.2 | Confident | 43 Ų | 43 | 40.9 Ų | 40.9 | 23% | 0.225 | 24% | 0.243 | C | C | . | . | trans | -143.8 | 108.5 | 170.6 | -178.9 | 65.3 | 0 | 0 | 0 | 109.1 | T288 G289 I361 I370 | T288-L359 HydrophobicContact CG2-CB 4.41Å; G289-L359 CarbonylContact C-O 3.49Å; G289-L359 PolarHBondContact O-N 2.89Å; L359-I361 HydrophobicContact CD2-CD1 4.29Å; L359-I361 HydrophobicContact CD2-CG1 4.28Å; L359-I361 HydrophobicContact CG-CG1 4.22Å; L359-I361 PolarHBondContact O-N 2.79Å; L359-I370 HydrophobicContact CD2-CD1 3.66Å | ||
| 360 | D | 85.1 | Confident | 87.7 | Confident | 95 Ų | 95 | 33.3 Ų | 33.3 | 51% | 0.508 | 21% | 0.21 | S | C | . | . | trans | -87.2 | 103 | 175.8 | -68.5 | -38.6 | 0 | 0 | 0 | 109.6 | A291 | A291-D360 WeakPolarHBondContact CB-OD1 3.11Å; A291-D360 VanDerWaalsContact CB-OD2 3.25Å; A291-D360 WeakPolarHBondContact CB-OD2 3.23Å; A291-D360 PolarHBondContact N-OD1 3.42Å | ||
| 361 | I | 82.4 | Confident | 88 | Confident | 12 Ų | 12 | 28.9 Ų | 28.9 | 6% | 0.062 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -83.6 | 120.4 | 169.9 | -63.2 | 166.6 | 0 | 0 | 0 | 107.5 | L68 L359 A365 G366 L368 I370 | L68-I361 HydrophobicContact CD2-CD1 3.91Å; L359-I361 HydrophobicContact CD2-CD1 4.29Å; L359-I361 HydrophobicContact CD2-CG1 4.28Å; L359-I361 HydrophobicContact CG-CG1 4.22Å; L359-I361 PolarHBondContact O-N 2.79Å; I361-A365 HydrophobicContact CG2-CB 3.68Å; I361-G366 WeakPolarHBondContact O-CA 3.13Å; I361-L368 HydrophobicContact CD1-CB 3.83Å; I361-L368 HydrophobicContact CD1-CD1 4.15Å; I361-L368 HydrophobicContact CG2-CD1 4.25Å; I361-I370 HydrophobicContact CD1-CD1 4.44Å |
| 362 | P | 75.4 | Confident | 88.1 | Confident | 48 Ų | 48 | 27.5 Ų | 27.5 | 31% | 0.312 | 18% | 0.176 | S | C | . | . | P | Polyproline II helix | trans | -72.9 | 159.5 | -177.6 | 28.3 | -33.4 | 0 | 0 | 0 | 111.8 | Y53 A365 G366 | Y53-P362 HydrophobicContact CD1-CG 4.21Å; Y53-P362 HydrophobicContact CD2-CG 3.9Å; Y53-P362 HydrophobicContact CG-CG 3.69Å; P362-A365 PolarHBondContact O-N 3.02Å; P362-G366 PolarHBondContact O-N 2.81Å; P362-G366 VanDerWaalsContact O-N 3.13Å |
| 363 | P | 74.8 | Confident | 88 | Confident | 106 Ų | 106 | 27.6 Ų | 27.6 | 69% | 0.688 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 155.3 | 167.2 | -22.8 | 33.4 | 0 | 0 | 0 | 111.5 | ||
| 364 | P | 73.1 | Confident | 88.1 | Confident | 83 Ų | 83 | 27.6 Ų | 27.6 | 54% | 0.539 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -79.1 | -3 | -3.9 | -12.5 | 15.5 | 0 | 0 | 0 | 118.9 | F57 | F57-P364 HydrophobicContact CB-CB 3.74Å; F57-P364 HydrophobicContact CB-CG 3.65Å; F57-P364 HydrophobicContact CD2-CB 3.91Å; F57-P364 HydrophobicContact CD2-CG 3.94Å; F57-P364 HydrophobicContact CG-CB 4Å; F57-P364 HydrophobicContact CG-CG 4.16Å |
| 365 | A | 75.8 | Confident | 88.2 | Confident | 16 Ų | 16 | 27.3 Ų | 27.3 | 13% | 0.132 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -48.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F57 I361 P362 L368 | F57-A365 HydrophobicContact CD1-CB 4.4Å; F57-A365 HydrophobicContact CD2-CB 4.01Å; F57-A365 HydrophobicContact CE1-CB 3.6Å; F57-A365 HydrophobicContact CE2-CB 3.14Å; F57-A365 HydrophobicContact CZ-CB 2.94Å; I361-A365 HydrophobicContact CG2-CB 3.68Å; P362-A365 PolarHBondContact O-N 3.02Å; A365-L368 HydrophobicContact CB-CD1 3.83Å; A365-L368 WeakPolarHBondContact O-CD1 3.24Å; A365-L368 WeakPolarHBondContact O-CG 3.43Å |
| 366 | G | 77.3 | Confident | 88.3 | Confident | 12 Ų | 12 | 27.3 Ų | 27.3 | 12% | 0.124 | 17% | 0.174 | C | C | . | . | trans | -89.6 | 169.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I361 P362 | I361-G366 WeakPolarHBondContact O-CA 3.13Å; P362-G366 PolarHBondContact O-N 2.81Å; P362-G366 VanDerWaalsContact O-N 3.13Å | ||
| 367 | P | 88.3 | Confident | 88.3 | Confident | 97 Ų | 97 | 27.5 Ų | 27.5 | 63% | 0.63 | 18% | 0.176 | S | C | * | . | S | Bend | cis | -75.2 | 141.5 | 6.8 | 30.1 | -35.1 | 0 | 0 | 0 | 113.3 | P290 | P290-P367 HydrophobicContact CG-CB 3.85Š|
| 368 | L | 91 | Very high | 88.6 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 147.3 | -179.9 | -73.6 | 165.3 | 0 | 0 | 0 | 110.5 | Q257 E277 I279 I361 A365 | Q257-L368 HydrophobicContact CG-CD2 4.33Å; E277-L368 HydrophobicContact CB-CD2 3.3Å; E277-L368 HydrophobicContact CG-CD2 4.47Å; E277-L368 WeakPolarHBondContact O-CA 3.37Å; I279-L368 HydrophobicContact CD1-CD1 3.95Å; I361-L368 HydrophobicContact CD1-CB 3.83Å; I361-L368 HydrophobicContact CD1-CD1 4.15Å; I361-L368 HydrophobicContact CG2-CD1 4.25Å; A365-L368 HydrophobicContact CB-CD1 3.83Å; A365-L368 WeakPolarHBondContact O-CD1 3.24Å; A365-L368 WeakPolarHBondContact O-CG 3.43Å |
| 369 | W | 95.8 | Very high | 89 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 156.9 | 162.1 | -72.7 | 79.9 | 0 | 0 | 0 | 110.6 | M260 M263 L271 E277 A278 I279 I287 T288 E293 V294 F356 | M260-W369 HydrophobicContact CE-CB 4.21Å; M260-W369 HydrophobicContact CE-CD2 4.18Å; M260-W369 HydrophobicContact CE-CG 3.78Å; M263-W369 HydrophobicContact CE-CD2 3.82Å; M263-W369 HydrophobicContact CE-CE3 3.58Å; M263-W369 HydrophobicContact CE-CH2 3.59Å; M263-W369 HydrophobicContact CE-CZ2 3.81Å; M263-W369 HydrophobicContact CE-CZ3 3.47Å; M263-W369 VanDerWaalsContact CE-CZ3 3.47Å; M263-W369 HydrophobicContact SD-CH2 3.86Å; M263-W369 HydrophobicContact SD-CZ2 4.35Å; M263-W369 HydrophobicContact SD-CZ3 4.08Å; L271-W369 HydrophobicContact CD1-CH2 4.3Å; L271-W369 HydrophobicContact CD1-CZ2 4.45Å; E277-W369 PolarHBondContact O-N 3.31Å; A278-W369 CarbonylContact C-O 3.24Å; A278-W369 VanDerWaalsContact CA-O 3.28Å; A278-W369 WeakPolarHBondContact CA-O 3.39Å; A278-W369 HydrophobicContact CB-CB 3.96Å; I279-W369 PolarHBondContact N-O 3.19Å; I287-W369 HydrophobicContact CG2-CE3 4.03Å; I287-W369 HydrophobicContact CG2-CZ3 4.22Å; T288-W369 CarbonylContact O-C 3.57Å; T288-W369 VanDerWaalsContact O-CA 3.25Å; T288-W369 WeakPolarHBondContact O-CA 3.14Å; E293-W369 HydrophobicContact CB-CH2 4.48Å; E293-W369 HydrophobicContact CB-CZ2 3.92Å; E293-W369 WeakPolarHBondContact OE2-CZ2 3.48Å; V294-W369 HydrophobicContact CG2-CH2 4.22Å; V294-W369 HydrophobicContact CG2-CZ3 4.31Å; F356-W369 HydrophobicContact CD1-CZ3 4.33Å |
| 370 | I | 94.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 123.2 | 168.6 | -55.5 | 178.1 | 0 | 0 | 0 | 108 | L68 I279 D281 T284 I287 T288 L359 I361 G372 | L68-I370 HydrophobicContact CD1-CD1 4.26Å; L68-I370 HydrophobicContact CD2-CD1 3.41Å; L68-I370 VanDerWaalsContact CD2-CD1 3.41Å; L68-I370 HydrophobicContact CD2-CG1 4.23Å; L68-I370 HydrophobicContact CG-CD1 4.41Å; I279-I370 CarbonylContact O-C 3.57Å; I279-I370 WeakPolarHBondContact O-CA 3.41Å; D281-I370 HydrophobicContact CB-CG2 3.49Å; D281-I370 VanDerWaalsContact CB-CG2 3.49Å; T284-I370 HydrophobicContact CG2-CG2 4.39Å; I287-I370 CarbonylContact C-O 3.58Å; I287-I370 VanDerWaalsContact CA-O 3.25Å; I287-I370 WeakPolarHBondContact CA-O 3.34Å; I287-I370 WeakPolarHBondContact CG2-O 3.44Å; T288-I370 PolarHBondContact N-O 2.63Å; T288-I370 PolarHBondContact O-N 3.37Å; T288-I370 WeakPolarHBondContact OG1-CB 3.48Å; T288-I370 VanDerWaalsContact OG1-CD1 3.31Å; T288-I370 WeakPolarHBondContact OG1-CD1 3.33Å; T288-I370 VanDerWaalsContact OG1-CG1 3.29Å; T288-I370 WeakPolarHBondContact OG1-CG1 3.4Å; L359-I370 HydrophobicContact CD2-CD1 3.66Å; I361-I370 HydrophobicContact CD1-CD1 4.44Å; I370-G372 PolarHBondContact O-N 2.99Å |
| 371 | L | 97.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 90 | 174.2 | -56 | -177.4 | 0 | 0 | 0 | 108.5 | A278 I279 D281 I287 F326 I328 F375 | A278-L371 HydrophobicContact CB-CD1 4.28Å; A278-L371 HydrophobicContact CB-CG 4.18Å; I279-L371 PolarHBondContact O-N 2.93Å; D281-L371 PolarHBondContact N-O 3.12Å; I287-L371 HydrophobicContact CG2-CD2 4.39Å; F326-L371 HydrophobicContact CD1-CD2 4Å; F326-L371 HydrophobicContact CE1-CD2 3.88Å; I328-L371 HydrophobicContact CD1-CD1 3.72Å; L371-F375 HydrophobicContact CB-CB 4.1Å; L371-F375 HydrophobicContact CB-CD1 4.13Å; L371-F375 HydrophobicContact CB-CG 4.09Å; L371-F375 HydrophobicContact CD1-CD1 4.3Å; L371-F375 HydrophobicContact CD1-CD2 4.5Å; L371-F375 HydrophobicContact CD1-CE1 4.24Å; L371-F375 HydrophobicContact CD1-CE2 4.44Å; L371-F375 HydrophobicContact CD1-CG 4.43Å; L371-F375 HydrophobicContact CD1-CZ 4.32Å; L371-F375 HydrophobicContact CD2-CD2 4.46Å |
| 372 | G | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -81.2 | -164.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | D281 T284 I370 V374 F375 I376 | D281-G372 WeakPolarHBondContact O-CA 3.32Å; T284-G372 CarbonylContact O-C 3.49Å; T284-G372 WeakPolarHBondContact O-CA 3.14Å; I370-G372 PolarHBondContact O-N 2.99Å; G372-V374 PolarHBondContact O-N 2.88Å; G372-F375 WeakPolarHBondContact O-CA 3.17Å; G372-F375 WeakPolarHBondContact O-CB 3.17Å; G372-F375 PolarHBondContact O-N 3.3Å; G372-I376 PolarHBondContact O-N 3.21Å | ||
| 373 | D | 93.2 | Very high | 92.1 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.011 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -54.8 | -28.7 | 179.8 | -59 | -25 | 0 | 0 | 0 | 114 | Y76 L219 T284 S285 F375 G377 | Y76-D373 WeakPolarHBondContact CD2-OD2 3.47Å; Y76-D373 HydrophobicContact CE2-CB 4.08Å; Y76-D373 WeakPolarHBondContact CE2-OD2 3.41Å; L219-D373 HydrophobicContact CD1-CB 3.94Å; L219-D373 WeakPolarHBondContact CD1-OD1 3.47Å; T284-D373 PolarHBondContact O-N 3.43Å; S285-D373 WeakPolarHBondContact CA-OD2 3.3Å; S285-D373 VanDerWaalsContact CB-OD2 3.32Å; S285-D373 WeakPolarHBondContact CB-OD2 3.4Å; S285-D373 PolarHBondContact O-N 2.84Å; S285-D373 PolarHBondContact OG-OD2 3.42Å; D373-F375 PolarHBondContact O-N 2.83Å; D373-G377 WeakPolarHBondContact O-CA 3.49Å; D373-G377 PolarHBondContact O-N 2.86Å |
| 374 | V | 95.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.006 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.8 | -39.8 | 174.1 | 165.5 | 0 | 0 | 0 | 0 | 111.4 | R221 S285 I287 L335 L342 G372 | R221-V374 PolarHBondContact NH1-O 2.76Å; S285-V374 WeakPolarHBondContact O-CG2 3.05Å; S285-V374 PolarHBondContact O-N 2.8Å; I287-V374 HydrophobicContact CD1-CB 4.22Å; I287-V374 HydrophobicContact CD1-CG1 3.73Å; I287-V374 HydrophobicContact CG1-CB 4.08Å; I287-V374 HydrophobicContact CG1-CG1 4.13Å; L335-V374 HydrophobicContact CD1-CG1 4.15Å; L342-V374 HydrophobicContact CD2-CG2 4.33Å; G372-V374 PolarHBondContact O-N 2.88Å |
| 375 | F | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -81.3 | -50.9 | 175.6 | -176.2 | -88.3 | 0 | 0 | 0 | 111.4 | I287 F326 I328 Y333 L371 G372 D373 G377 Q378 Y379 F392 | I287-F375 HydrophobicContact CD1-CB 4.16Å; I287-F375 HydrophobicContact CG1-CB 4.39Å; F326-F375 HydrophobicContact CB-CE2 4.46Å; F326-F375 HydrophobicContact CD2-CD2 4.22Å; F326-F375 HydrophobicContact CD2-CE2 4.1Å; F326-F375 HydrophobicContact CE2-CD2 4.34Å; F326-F375 HydrophobicContact CG-CE2 4.21Å; I328-F375 HydrophobicContact CD1-CE2 4.46Å; I328-F375 HydrophobicContact CD1-CZ 4.1Å; Y333-F375 HydrophobicContact CD1-CZ 4.24Å; Y333-F375 HydrophobicContact CG-CE2 4.34Å; Y333-F375 HydrophobicContact CG-CZ 4.03Å; L371-F375 HydrophobicContact CB-CB 4.1Å; L371-F375 HydrophobicContact CB-CD1 4.13Å; L371-F375 HydrophobicContact CB-CG 4.09Å; L371-F375 HydrophobicContact CD1-CD1 4.3Å; L371-F375 HydrophobicContact CD1-CD2 4.5Å; L371-F375 HydrophobicContact CD1-CE1 4.24Å; L371-F375 HydrophobicContact CD1-CE2 4.44Å; L371-F375 HydrophobicContact CD1-CG 4.43Å; L371-F375 HydrophobicContact CD1-CZ 4.32Å; L371-F375 HydrophobicContact CD2-CD2 4.46Å; G372-F375 WeakPolarHBondContact O-CA 3.17Å; G372-F375 WeakPolarHBondContact O-CB 3.17Å; G372-F375 PolarHBondContact O-N 3.3Å; D373-F375 PolarHBondContact O-N 2.83Å; F375-G377 VanDerWaalsContact C-N 3.27Å; F375-G377 PolarHBondContact O-N 3.17Å; F375-Q378 PolarHBondContact O-N 3.12Å; F375-Y379 HydrophobicContact CD1-CD2 4.3Å; F375-Y379 HydrophobicContact CD2-CD2 4.08Å; F375-Y379 HydrophobicContact CD2-CE2 4.45Å; F375-Y379 AromaticContact CE1-CD2 4Å; F375-Y379 HydrophobicContact CE1-CD2 4Å; F375-Y379 HydrophobicContact CE1-CG 4.32Å; F375-Y379 AromaticContact CE2-CD2 3.77Å; F375-Y379 HydrophobicContact CE2-CD2 3.77Å; F375-Y379 HydrophobicContact CE2-CE2 4.05Å; F375-Y379 HydrophobicContact CG-CD2 4.34Å; F375-Y379 AromaticContact CZ-CD2 3.72Å; F375-Y379 HydrophobicContact CZ-CD2 3.72Å; F375-Y379 HydrophobicContact CZ-CE2 4.33Å; F375-Y379 HydrophobicContact CZ-CG 4.24Å; F375-Y379 PolarHBondContact O-N 3.24Å; F375-Y379 VanDerWaalsContact O-N 3.08Å; F375-F392 AromaticContact CE1-CD1 3.81Å; F375-F392 HydrophobicContact CE1-CD1 3.81Å; F375-F392 AromaticContact CE1-CE1 3.69Å; F375-F392 HydrophobicContact CE1-CE1 3.69Å; F375-F392 HydrophobicContact CE1-CG 4.44Å; F375-F392 HydrophobicContact CE1-CZ 4.24Å |
| 376 | I | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.5 | -34.2 | -175.9 | -62.8 | 158.6 | 0 | 0 | 0 | 111.4 | F217 L219 V280 T282 G372 Q378 Y379 | F217-I376 HydrophobicContact CB-CG2 4.25Å; L219-I376 HydrophobicContact CD1-CB 3.98Å; L219-I376 HydrophobicContact CD1-CG2 3.62Å; L219-I376 HydrophobicContact CG-CG2 3.94Å; V280-I376 HydrophobicContact CG1-CD1 4.1Å; V280-I376 HydrophobicContact CG1-CG1 4.11Å; T282-I376 HydrophobicContact CG2-CD1 3.92Å; G372-I376 PolarHBondContact O-N 3.21Å; I376-Q378 PolarHBondContact O-N 3.43Å; I376-Y379 CarbonylContact C-O 3.52Å; I376-Y379 CarbonylContact O-C 3.54Å; I376-Y379 VanDerWaalsContact O-C 3.24Å; I376-Y379 PolarHBondContact O-N 2.83Å |
| 377 | G | 96 | Very high | 96.4 | Very high | 5 Ų | 5 | 18.7 Ų | 18.7 | 5% | 0.052 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L219 D373 F375 | L219-G377 WeakPolarHBondContact O-CA 3.38Å; D373-G377 WeakPolarHBondContact O-CA 3.49Å; D373-G377 PolarHBondContact O-N 2.86Å; F375-G377 VanDerWaalsContact C-N 3.27Å; F375-G377 PolarHBondContact O-N 3.17Å |
| 378 | Q | 97.6 | Very high | 96.8 | Very high | 32 Ų | 32 | 16.4 Ų | 16.4 | 15% | 0.15 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -19.6 | 170.8 | -66.1 | -54 | -52.6 | 0 | 0 | 113.1 | L335 Q339 F375 I376 K394 S395 | L335-Q378 HydrophobicContact CD2-CB 3.74Å; L335-Q378 HydrophobicContact CD2-CG 3.67Å; Q339-Q378 HydrophobicContact CB-CG 4.02Å; Q339-Q378 VanDerWaalsContact CD-OE1 3.25Å; Q339-Q378 HydrophobicContact CG-CG 4.09Å; F375-Q378 PolarHBondContact O-N 3.12Å; I376-Q378 PolarHBondContact O-N 3.43Å; Q378-K394 PolarHBondContact O-NZ 3.01Å; Q378-S395 PolarHBondContact O-N 3.14Å; Q378-S395 VanDerWaalsContact O-N 3.09Å |
| 379 | Y | 98.4 | Very high | 97.2 | Very high | 20 Ų | 20 | 19.9 Ų | 19.9 | 8% | 0.078 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 105.1 | -176.8 | -65.5 | -70.2 | 0 | 0 | 0 | 109.6 | Y333 S334 L335 F375 I376 T381 A393 K394 | Y333-Y379 WeakPolarHBondContact CA-OH 3.24Å; Y333-Y379 AromaticContact CD1-CD1 3.72Å; Y333-Y379 HydrophobicContact CD1-CD1 3.72Å; Y333-Y379 HydrophobicContact CD1-CD2 4.33Å; Y333-Y379 AromaticContact CD1-CE1 3.61Å; Y333-Y379 HydrophobicContact CD1-CE1 3.61Å; Y333-Y379 HydrophobicContact CD1-CE2 4.24Å; Y333-Y379 HydrophobicContact CD1-CG 4.08Å; Y333-Y379 AromaticContact CD1-CZ 3.87Å; Y333-Y379 HydrophobicContact CE1-CD1 4.31Å; Y333-Y379 HydrophobicContact CE1-CE1 4.46Å; Y333-Y379 HydrophobicContact CG-CE1 4.49Å; S334-Y379 PolarHBondContact N-OH 3.27Å; S334-Y379 PolarHBondContact O-OH 2.02Å; S334-Y379 VanDerWaalsContact O-OH 3.04Å; L335-Y379 HydrophobicContact CD2-CE2 3.93Å; F375-Y379 HydrophobicContact CD1-CD2 4.3Å; F375-Y379 HydrophobicContact CD2-CD2 4.08Å; F375-Y379 HydrophobicContact CD2-CE2 4.45Å; F375-Y379 AromaticContact CE1-CD2 4Å; F375-Y379 HydrophobicContact CE1-CD2 4Å; F375-Y379 HydrophobicContact CE1-CG 4.32Å; F375-Y379 AromaticContact CE2-CD2 3.77Å; F375-Y379 HydrophobicContact CE2-CD2 3.77Å; F375-Y379 HydrophobicContact CE2-CE2 4.05Å; F375-Y379 HydrophobicContact CG-CD2 4.34Å; F375-Y379 AromaticContact CZ-CD2 3.72Å; F375-Y379 HydrophobicContact CZ-CD2 3.72Å; F375-Y379 HydrophobicContact CZ-CE2 4.33Å; F375-Y379 HydrophobicContact CZ-CG 4.24Å; F375-Y379 PolarHBondContact O-N 3.24Å; F375-Y379 VanDerWaalsContact O-N 3.08Å; I376-Y379 CarbonylContact C-O 3.52Å; I376-Y379 CarbonylContact O-C 3.54Å; I376-Y379 VanDerWaalsContact O-C 3.24Å; I376-Y379 PolarHBondContact O-N 2.83Å; Y379-T381 PolarHBondContact O-N 3.1Å; Y379-T381 VanDerWaalsContact O-N 3.16Å; Y379-T381 PolarHBondContact O-OG1 3.25Å; Y379-A393 CarbonylContact C-O 3.53Å; Y379-A393 VanDerWaalsContact CA-O 3.22Å; Y379-A393 WeakPolarHBondContact CA-O 3.4Å; Y379-K394 HydrophobicContact CD1-CD 4.39Å; Y379-K394 HydrophobicContact CE1-CD 3.92Å |
| 380 | Y | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.3 | 125.5 | 172 | -171.2 | -70.3 | 0 | 0 | 0 | 108.2 | S216 Y218 T236 D237 Y240 Y241 F245 V382 F392 A393 | S216-Y380 WeakPolarHBondContact OG-CE1 3.42Å; S216-Y380 PolarHBondContact OG-OH 2.93Å; Y218-Y380 HydrophobicContact CD2-CD2 4.37Å; T236-Y380 HydrophobicContact CG2-CE1 4.06Å; D237-Y380 PolarHBondContact N-OH 3.45Å; Y240-Y380 VanDerWaalsContact CB-CD2 3.49Å; Y240-Y380 VanDerWaalsContact CB-CE2 3.49Å; Y240-Y380 HydrophobicContact CD2-CE2 4.05Å; Y240-Y380 HydrophobicContact CG-CE2 4.2Å; Y241-Y380 HydrophobicContact CD1-CG 4.49Å; F245-Y380 AromaticContact CE1-CD1 3.73Å; F245-Y380 HydrophobicContact CE1-CD1 3.73Å; F245-Y380 HydrophobicContact CE1-CE1 4.41Å; F245-Y380 AromaticContact CZ-CD1 3.49Å; F245-Y380 HydrophobicContact CZ-CD1 3.49Å; F245-Y380 VanDerWaalsContact CZ-CD1 3.49Å; F245-Y380 AromaticContact CZ-CE1 3.86Å; F245-Y380 HydrophobicContact CZ-CE1 3.86Å; F245-Y380 HydrophobicContact CZ-CG 4.33Å; Y380-V382 HydrophobicContact CD1-CG2 4.24Å; Y380-V382 HydrophobicContact CE1-CG2 4.03Å; Y380-F392 WeakPolarHBondContact O-CA 3.35Å; Y380-A393 PolarHBondContact N-O 2.88Å; Y380-A393 PolarHBondContact O-N 3.31Å |
| 381 | T | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 129.6 | -167.4 | -62.5 | 0 | 0 | 0 | 0 | 110.5 | S216 F217 V280 Y379 F383 V390 G391 F392 | S216-T381 CarbonylContact C-O 3.51Å; S216-T381 WeakPolarHBondContact CA-O 3.37Å; S216-T381 VanDerWaalsContact CB-O 3.27Å; S216-T381 WeakPolarHBondContact CB-O 3.06Å; F217-T381 PolarHBondContact N-O 2.92Å; F217-T381 PolarHBondContact O-N 3.45Å; V280-T381 HydrophobicContact CG1-CG2 3.87Å; Y379-T381 PolarHBondContact O-N 3.1Å; Y379-T381 VanDerWaalsContact O-N 3.16Å; Y379-T381 PolarHBondContact O-OG1 3.25Å; T381-F383 HydrophobicContact CG2-CD2 4.13Å; T381-F383 HydrophobicContact CG2-CE1 4.19Å; T381-F383 HydrophobicContact CG2-CE2 3.55Å; T381-F383 HydrophobicContact CG2-CZ 3.61Å; T381-V390 HydrophobicContact CG2-CG1 3.68Å; T381-G391 CarbonylContact C-O 3.53Å; T381-G391 WeakPolarHBondContact CA-O 3.48Å; T381-F392 HydrophobicContact CG2-CD1 4.11Å; T381-F392 HydrophobicContact CG2-CE1 3.85Å |
| 382 | V | 98.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.012 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 129.4 | 176.6 | -179 | 0 | 0 | 0 | 0 | 109.2 | V214 T236 F245 Y247 Y380 V390 G391 | V214-V382 HydrophobicContact CB-CG1 4.32Å; T236-V382 HydrophobicContact CG2-CG1 4.43Å; T236-V382 HydrophobicContact CG2-CG2 3.35Å; F245-V382 HydrophobicContact CD1-CG2 3.88Å; F245-V382 HydrophobicContact CE1-CB 4.39Å; F245-V382 HydrophobicContact CE1-CG2 3.34Å; F245-V382 HydrophobicContact CE2-CG2 4.22Å; F245-V382 HydrophobicContact CZ-CG2 3.53Å; Y247-V382 HydrophobicContact CE1-CB 4.45Å; Y247-V382 HydrophobicContact CE1-CG1 4.36Å; Y380-V382 HydrophobicContact CD1-CG2 4.24Å; Y380-V382 HydrophobicContact CE1-CG2 4.03Å; V382-V390 CarbonylContact O-C 3.53Å; V382-V390 VanDerWaalsContact O-CA 3.26Å; V382-V390 WeakPolarHBondContact O-CA 3.2Å; V382-V390 WeakPolarHBondContact O-CG1 3.48Å; V382-G391 PolarHBondContact N-O 3.09Å; V382-G391 PolarHBondContact O-N 3.1Å |
| 383 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 104.6 | 176.5 | -61.9 | -88.1 | 0 | 0 | 0 | 108.3 | T95 V214 F215 F217 W256 V280 T282 T381 V390 | T95-F383 HydrophobicContact CG2-CD1 4.38Å; T95-F383 HydrophobicContact CG2-CE1 3.94Å; T95-F383 HydrophobicContact CG2-CE2 4.12Å; T95-F383 HydrophobicContact CG2-CZ 3.79Å; V214-F383 WeakPolarHBondContact CA-O 3.49Å; F215-F383 HydrophobicContact CD1-CB 4.12Å; F215-F383 HydrophobicContact CD2-CB 3.81Å; F215-F383 AromaticContact CD2-CD2 3.66Å; F215-F383 HydrophobicContact CD2-CD2 3.66Å; F215-F383 HydrophobicContact CD2-CG 4.03Å; F215-F383 HydrophobicContact CE1-CB 3.73Å; F215-F383 HydrophobicContact CE2-CB 3.37Å; F215-F383 HydrophobicContact CE2-CD1 4.23Å; F215-F383 AromaticContact CE2-CD2 3.26Å; F215-F383 HydrophobicContact CE2-CD2 3.26Å; F215-F383 HydrophobicContact CE2-CE2 4.04Å; F215-F383 AromaticContact CE2-CG 3.36Å; F215-F383 HydrophobicContact CE2-CG 3.36Å; F215-F383 HydrophobicContact CG-CB 4.17Å; F215-F383 HydrophobicContact CZ-CB 3.32Å; F215-F383 HydrophobicContact CZ-CD1 4.31Å; F215-F383 HydrophobicContact CZ-CD2 4.07Å; F215-F383 AromaticContact CZ-CG 3.66Å; F215-F383 HydrophobicContact CZ-CG 3.66Å; F215-F383 PolarHBondContact N-O 3.12Å; F215-F383 VanDerWaalsContact N-O 3.09Å; F215-F383 PolarHBondContact O-N 3.22Å; F217-F383 HydrophobicContact CD2-CD2 4.03Å; F217-F383 AromaticContact CD2-CE2 3.65Å; F217-F383 HydrophobicContact CD2-CE2 3.65Å; F217-F383 HydrophobicContact CE2-CE2 4.24Å; W256-F383 HydrophobicContact CB-CD1 4Å; W256-F383 HydrophobicContact CB-CE1 3.86Å; W256-F383 AromaticContact CD1-CD1 3.9Å; W256-F383 AromaticContact CD1-CE1 3.99Å; W256-F383 HydrophobicContact CD2-CB 4.27Å; W256-F383 AromaticContact CD2-CD1 3.36Å; W256-F383 HydrophobicContact CD2-CD1 3.36Å; W256-F383 HydrophobicContact CD2-CE1 4.1Å; W256-F383 HydrophobicContact CD2-CG 4.25Å; W256-F383 AromaticContact CE2-CD1 3.72Å; W256-F383 HydrophobicContact CE3-CB 4.15Å; W256-F383 AromaticContact CE3-CD1 3.68Å; W256-F383 HydrophobicContact CE3-CD1 3.68Å; W256-F383 HydrophobicContact CE3-CG 4.42Å; W256-F383 AromaticContact CG-CD1 3.47Å; W256-F383 HydrophobicContact CG-CD1 3.47Å; W256-F383 VanDerWaalsContact CG-CD1 3.47Å; W256-F383 AromaticContact CG-CE1 3.69Å; W256-F383 HydrophobicContact CG-CE1 3.69Å; W256-F383 HydrophobicContact CH2-CB 3.66Å; W256-F383 HydrophobicContact CZ2-CB 3.81Å; W256-F383 HydrophobicContact CZ2-CD1 4.33Å; W256-F383 HydrophobicContact CZ2-CG 4.48Å; W256-F383 HydrophobicContact CZ3-CB 3.85Å; W256-F383 HydrophobicContact CZ3-CD1 4.27Å; W256-F383 AromaticContact NE1-CD1 4Å; V280-F383 HydrophobicContact CB-CE1 4.1Å; V280-F383 HydrophobicContact CB-CZ 4.47Å; V280-F383 HydrophobicContact CG1-CE1 3.94Å; V280-F383 HydrophobicContact CG1-CZ 3.85Å; T282-F383 HydrophobicContact CG2-CE2 4.46Å; T282-F383 HydrophobicContact CG2-CZ 4.4Å; T381-F383 HydrophobicContact CG2-CD2 4.13Å; T381-F383 HydrophobicContact CG2-CE1 4.19Å; T381-F383 HydrophobicContact CG2-CE2 3.55Å; T381-F383 HydrophobicContact CG2-CZ 3.61Å; F383-V390 HydrophobicContact CD1-CG2 4.15Å |
| 384 | D | 98.6 | Very high | 98 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 98.5 | -170.9 | -179.6 | -14.8 | 0 | 0 | 0 | 110 | V214 Q386 N387 N388 R389 | V214-D384 HydrophobicContact CG1-CB 4.02Å; D384-Q386 VanDerWaalsContact C-N 3.33Å; D384-Q386 WeakPolarHBondContact OD1-CA 3.45Å; D384-Q386 VanDerWaalsContact OD1-CB 3.31Å; D384-Q386 WeakPolarHBondContact OD1-CB 3.37Å; D384-Q386 PolarHBondContact OD1-N 2.88Å; D384-N387 PolarHBondContact OD1-N 3.42Å; D384-N387 PolarHBondContact OD1-ND2 3.45Å; D384-N387 PolarHBondContact OD2-ND2 2.8Å; D384-N388 VanDerWaalsContact O-CA 3.27Å; D384-N388 WeakPolarHBondContact O-CA 3.47Å; D384-N388 PolarHBondContact O-N 3.27Å; D384-R389 HydrophobicContact CB-CG 3.76Å; D384-R389 WeakPolarHBondContact CB-O 3.38Å; D384-R389 PolarHBondContact N-O 3.13Å; D384-R389 PolarHBondContact O-N 3.43Å; D384-R389 VanDerWaalsContact O-N 3.13Å; D384-R389 IonicContact OD2-CZ 3.38Å; D384-R389 IonicContact OD2-NE 3.38Å; D384-R389 PolarHBondContact OD2-NE 2.91Å; D384-R389 IonicContact OD2-NH2 3.54Å; D384-R389 PolarHBondContact OD2-NH2 2.83Å; D384-R389 VanDerWaalsContact OD2-NH2 3.13Å |
| 385 | R | 98.1 | Very high | 98 | Very high | 32 Ų | 32 | 23.8 Ų | 23.8 | 12% | 0.121 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -21.5 | 176 | -72.4 | -64.5 | -63 | -79.4 | -3.8 | 112.8 | F201 D202 M205 N213 W256 | F201-R385 HydrophobicContact CD1-CG 3.75Å; F201-R385 HydrophobicContact CE1-CB 4.07Å; F201-R385 HydrophobicContact CE1-CG 3.6Å; D202-R385 IonicContact OD1-CZ 3.17Å; D202-R385 IonicContact OD1-NH1 3.71Å; D202-R385 IonicContact OD1-NH2 3.67Å; D202-R385 PolarHBondContact OD1-NH2 2.82Å; D202-R385 IonicContact OD2-CZ 3.13Å; D202-R385 IonicContact OD2-NH1 3.09Å; D202-R385 PolarHBondContact OD2-NH1 2.83Å; D202-R385 IonicContact OD2-NH2 3.41Å; D202-R385 PolarHBondContact OD2-NH2 2.85Å; M205-R385 HydrophobicContact CE-CB 4.08Å; M205-R385 HydrophobicContact CE-CG 4.11Å; M205-R385 HydrophobicContact SD-CB 3.5Å; M205-R385 WeakPolarHBondContact SD-CB 3.34Å; M205-R385 HydrophobicContact SD-CG 4Å; N213-R385 WeakPolarHBondContact O-CA 3.36Å; N213-R385 WeakPolarHBondContact O-CB 3.32Å; N213-R385 PolarHBondContact O-N 2.04Å; W256-R385 HydrophobicContact CH2-CG 3.65Å; W256-R385 HydrophobicContact CZ2-CG 4.08Å |
| 386 | Q | 95.6 | Very high | 97.7 | Very high | 117 Ų | 117 | 31.4 Ų | 31.4 | 55% | 0.547 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -41.5 | 177.7 | -171.1 | 170.3 | -16.8 | 0 | 0 | 111.4 | N213 D384 | N213-Q386 HydrophobicContact CB-CB 4.11Å; N213-Q386 PolarHBondContact O-N 2.9Å; D384-Q386 VanDerWaalsContact C-N 3.33Å; D384-Q386 WeakPolarHBondContact OD1-CA 3.45Å; D384-Q386 VanDerWaalsContact OD1-CB 3.31Å; D384-Q386 WeakPolarHBondContact OD1-CB 3.37Å; D384-Q386 PolarHBondContact OD1-N 2.88Å |
| 387 | N | 97.9 | Very high | 97.6 | Very high | 77 Ų | 77 | 33 Ų | 33 | 41% | 0.412 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 1 | -174.9 | -57 | -70.1 | 0 | 0 | 0 | 113.5 | D384 R389 | D384-N387 PolarHBondContact OD1-N 3.42Å; D384-N387 PolarHBondContact OD1-ND2 3.45Å; D384-N387 PolarHBondContact OD2-ND2 2.8Å; N387-R389 HydrophobicContact CB-CG 3.93Å; N387-R389 PolarHBondContact ND2-NH2 3.27Å |
| 388 | N | 98.1 | Very high | 97.7 | Very high | 49 Ų | 49 | 34.4 Ų | 34.4 | 26% | 0.262 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 59.1 | -177.4 | -59.7 | -69.5 | 0 | 0 | 0 | 112.7 | Y189 I250 D384 | Y189-N388 WeakPolarHBondContact CE1-OD1 3.39Å; I250-N388 WeakPolarHBondContact CB-O 2.92Å; I250-N388 WeakPolarHBondContact CG1-O 3.37Å; I250-N388 PolarHBondContact N-O 2.97Å; D384-N388 VanDerWaalsContact O-CA 3.27Å; D384-N388 WeakPolarHBondContact O-CA 3.47Å; D384-N388 PolarHBondContact O-N 3.27Å |
| 389 | R | 98.5 | Very high | 97.7 | Very high | 73 Ų | 73 | 34.6 Ų | 34.6 | 28% | 0.275 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 163 | -177.6 | 61.3 | -171.6 | -174.5 | 172.1 | -1.9 | 111.4 | Y247 V248 D384 N387 | Y247-R389 HydrophobicContact CD1-CG 3.77Å; Y247-R389 HydrophobicContact CG-CG 4.43Å; V248-R389 CarbonylContact O-C 3.55Å; V248-R389 VanDerWaalsContact O-CA 3.25Å; V248-R389 WeakPolarHBondContact O-CA 3.33Å; V248-R389 VanDerWaalsContact O-CB 3.27Å; V248-R389 WeakPolarHBondContact O-CB 3.36Å; D384-R389 HydrophobicContact CB-CG 3.76Å; D384-R389 WeakPolarHBondContact CB-O 3.38Å; D384-R389 PolarHBondContact N-O 3.13Å; D384-R389 PolarHBondContact O-N 3.43Å; D384-R389 VanDerWaalsContact O-N 3.13Å; D384-R389 IonicContact OD2-CZ 3.38Å; D384-R389 IonicContact OD2-NE 3.38Å; D384-R389 PolarHBondContact OD2-NE 2.91Å; D384-R389 IonicContact OD2-NH2 3.54Å; D384-R389 PolarHBondContact OD2-NH2 2.83Å; D384-R389 VanDerWaalsContact OD2-NH2 3.13Å; N387-R389 HydrophobicContact CB-CG 3.93Å; N387-R389 PolarHBondContact ND2-NH2 3.27Å |
| 390 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 136.2 | 171.1 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | Y247 V248 I250 W256 V258 V280 T381 V382 F383 F392 | Y247-V390 CarbonylContact C-O 3.56Å; Y247-V390 VanDerWaalsContact CA-O 3.27Å; Y247-V390 WeakPolarHBondContact CA-O 3.29Å; V248-V390 PolarHBondContact N-O 3.17Å; V248-V390 PolarHBondContact O-N 3.36Å; I250-V390 HydrophobicContact CD1-CG2 3.7Å; W256-V390 HydrophobicContact CB-CG2 4.23Å; W256-V390 HydrophobicContact CE3-CG2 3.77Å; V258-V390 HydrophobicContact CG1-CB 4.33Å; V258-V390 HydrophobicContact CG1-CG2 4.34Å; V280-V390 HydrophobicContact CG2-CG1 4.31Å; T381-V390 HydrophobicContact CG2-CG1 3.68Å; V382-V390 CarbonylContact O-C 3.53Å; V382-V390 VanDerWaalsContact O-CA 3.26Å; V382-V390 WeakPolarHBondContact O-CA 3.2Å; V382-V390 WeakPolarHBondContact O-CG1 3.48Å; F383-V390 HydrophobicContact CD1-CG2 4.15Å; V390-F392 HydrophobicContact CB-CZ 4.27Å; V390-F392 HydrophobicContact CG1-CD1 4.25Å; V390-F392 HydrophobicContact CG1-CE1 3.55Å; V390-F392 HydrophobicContact CG1-CE2 4.09Å; V390-F392 HydrophobicContact CG1-CZ 3.47Å; V390-F392 VanDerWaalsContact CG1-CZ 3.47Å |
| 391 | G | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 138.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | H246 Y247 T381 V382 | H246-G391 WeakPolarHBondContact O-CA 3.08Å; Y247-G391 VanDerWaalsContact CD1-CA 3.4Å; T381-G391 CarbonylContact C-O 3.53Å; T381-G391 WeakPolarHBondContact CA-O 3.48Å; V382-G391 PolarHBondContact N-O 3.09Å; V382-G391 PolarHBondContact O-N 3.1Å |
| 392 | F | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 134.6 | 175.7 | -52.4 | -70.2 | 0 | 0 | 0 | 111.3 | H246 V280 Y333 F375 Y380 T381 V390 | H246-F392 PolarHBondContact N-O 3.43Å; H246-F392 PolarHBondContact O-N 2.95Å; V280-F392 HydrophobicContact CG1-CE1 4.2Å; V280-F392 HydrophobicContact CG2-CE1 4.15Å; V280-F392 HydrophobicContact CG2-CZ 3.74Å; Y333-F392 HydrophobicContact CD1-CB 4.35Å; Y333-F392 HydrophobicContact CE1-CB 3.46Å; Y333-F392 VanDerWaalsContact CE1-CB 3.46Å; Y333-F392 HydrophobicContact CE1-CD2 4.21Å; Y333-F392 HydrophobicContact CE1-CG 4.12Å; Y333-F392 HydrophobicContact CE2-CD2 4.42Å; Y333-F392 AromaticContact CZ-CD2 3.84Å; F375-F392 AromaticContact CE1-CD1 3.81Å; F375-F392 HydrophobicContact CE1-CD1 3.81Å; F375-F392 AromaticContact CE1-CE1 3.69Å; F375-F392 HydrophobicContact CE1-CE1 3.69Å; F375-F392 HydrophobicContact CE1-CG 4.44Å; F375-F392 HydrophobicContact CE1-CZ 4.24Å; Y380-F392 WeakPolarHBondContact O-CA 3.35Å; T381-F392 HydrophobicContact CG2-CD1 4.11Å; T381-F392 HydrophobicContact CG2-CE1 3.85Å; V390-F392 HydrophobicContact CB-CZ 4.27Å; V390-F392 HydrophobicContact CG1-CD1 4.25Å; V390-F392 HydrophobicContact CG1-CE1 3.55Å; V390-F392 HydrophobicContact CG1-CE2 4.09Å; V390-F392 HydrophobicContact CG1-CZ 3.47Å; V390-F392 VanDerWaalsContact CG1-CZ 3.47Å |
| 393 | A | 98.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 3% | 0.025 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 156.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110 | Y241 F245 Y379 Y380 S395 | Y241-A393 HydrophobicContact CD2-CB 3.92Å; Y241-A393 HydrophobicContact CG-CB 4.13Å; F245-A393 HydrophobicContact CD1-CB 3.65Å; F245-A393 HydrophobicContact CD2-CB 4.36Å; F245-A393 HydrophobicContact CE1-CB 3.54Å; F245-A393 HydrophobicContact CE2-CB 4.3Å; F245-A393 HydrophobicContact CG-CB 4.05Å; F245-A393 HydrophobicContact CZ-CB 3.89Å; Y379-A393 CarbonylContact C-O 3.53Å; Y379-A393 VanDerWaalsContact CA-O 3.22Å; Y379-A393 WeakPolarHBondContact CA-O 3.4Å; Y380-A393 PolarHBondContact N-O 2.88Å; Y380-A393 PolarHBondContact O-N 3.31Å; A393-S395 PolarHBondContact O-N 3.11Å |
| 394 | K | 97.8 | Very high | 97.4 | Very high | 71 Ų | 71 | 46.2 Ų | 46.2 | 31% | 0.309 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 120.5 | -179.1 | -176.1 | 65.1 | -173 | 163.7 | 0 | 109.6 | Y241 S242 Q378 Y379 | Y241-K394 CarbonylContact C-O 3.54Å; Y241-K394 VanDerWaalsContact CA-O 3.25Å; Y241-K394 WeakPolarHBondContact CA-O 3.32Å; S242-K394 PolarHBondContact N-O 3.18Å; S242-K394 PolarHBondContact OG-O 3.28Å; Q378-K394 PolarHBondContact O-NZ 3.01Å; Y379-K394 HydrophobicContact CD1-CD 4.39Å; Y379-K394 HydrophobicContact CE1-CD 3.92Å |
| 395 | S | 96.2 | Very high | 97.3 | Very high | 14 Ų | 14 | 49.7 Ų | 49.7 | 10% | 0.098 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 141.4 | 175.8 | -168.4 | 0 | 0 | 0 | 0 | 110.5 | Y218 Y240 Q378 A393 | Y218-S395 WeakPolarHBondContact CD2-OG 3.39Å; Y218-S395 WeakPolarHBondContact CE2-OG 3.46Å; Y240-S395 WeakPolarHBondContact O-CA 3.37Å; Q378-S395 PolarHBondContact O-N 3.14Å; Q378-S395 VanDerWaalsContact O-N 3.09Å; A393-S395 PolarHBondContact O-N 3.11Å |
| 396 | K | 91.1 | Very high | 97.2 | Very high | 160 Ų | 160 | 51.3 Ų | 51.3 | 70% | 0.696 | 24% | 0.238 | S | C | * | . | trans | -83.4 | 0 | 171.7 | -79.5 | 170.5 | 173.1 | 157.6 | 0 | 112 | P238 K239 Y240 Y241 | P238-K396 PolarHBondContact O-NZ 2.89Å; K239-K396 WeakPolarHBondContact O-CD 3.33Å; Y240-K396 PolarHBondContact O-N 2.77Å; Y241-K396 WeakPolarHBondContact O-CD 3.49Å; Y241-K396 WeakPolarHBondContact O-CE 3.45Å; Y241-K396 PolarHBondContact O-NZ 2.96Å |
Retrieved 396 of 396 residues in 236 ms
(Link to these results)