| 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 | 33.8 | Very low | 63.2 | Low | 244 Ų | 244 | 102.4 Ų | 102.4 | 100% | 1.202 | 58% | 0.579 | S | S | * | * | 0 | 116.6 | 0 | -66.8 | -154.2 | -125.6 | 0 | 0 | 107.1 | A3 | M1-A3 PolarHBondContact O-N 3.04Š| |||
| 2 | A | 29.3 | Very low | 66.1 | Low | 102 Ų | 102 | 95 Ų | 95 | 84% | 0.843 | 54% | 0.536 | S | S | * | . | trans | -60.7 | 130 | -176 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q4 | A2-Q4 VanDerWaalsContact C-N 3.34Å; A2-Q4 PolarHBondContact O-N 3.39Å | ||
| 3 | A | 39.4 | Very low | 68.6 | Low | 82 Ų | 82 | 95.5 Ų | 95.5 | 68% | 0.678 | 53% | 0.532 | S | S | * | . | trans | -61.8 | 102.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | M1 C5 | M1-A3 PolarHBondContact O-N 3.04Å; A3-C5 PolarHBondContact O-N 2.99Å | ||
| 4 | Q | 44.3 | Very low | 70.7 | Confident | 179 Ų | 179 | 90.6 Ų | 90.6 | 84% | 0.836 | 51% | 0.505 | S | S | * | . | trans | -61.7 | 114 | 173.1 | -158.5 | 153.2 | 12.2 | 0 | 0 | 105.9 | A2 R6 | A2-Q4 VanDerWaalsContact C-N 3.34Å; A2-Q4 PolarHBondContact O-N 3.39Å; Q4-R6 VanDerWaalsContact C-N 3.28Å; Q4-R6 PolarHBondContact O-N 2.93Å | ||
| 5 | C | 42.8 | Very low | 72.5 | Confident | 131 Ų | 131 | 88.5 Ų | 88.5 | 89% | 0.885 | 49% | 0.489 | S | S | * | . | trans | -64.9 | 92.6 | -178.3 | -150.5 | 0 | 0 | 0 | 0 | 107 | A3 | A3-C5 PolarHBondContact O-N 2.99Š| ||
| 6 | R | 63.2 | Low | 74.1 | Confident | 108 Ų | 108 | 82.9 Ų | 82.9 | 41% | 0.408 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 134 | 176.2 | -69.7 | -178.1 | 171.5 | -164.6 | -11.3 | 107.1 | Q4 | Q4-R6 VanDerWaalsContact C-N 3.28Å; Q4-R6 PolarHBondContact O-N 2.93Å |
| 7 | S | 68.1 | Low | 75.5 | Confident | 86 Ų | 86 | 84.4 Ų | 84.4 | 60% | 0.601 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 147.4 | 176.9 | 45.7 | 0 | 0 | 0 | 0 | 110.8 | T9 | S7-T9 PolarHBondContact O-N 2.76Š|
| 8 | D | 85.3 | Confident | 76.7 | Confident | 95 Ų | 95 | 80.7 Ų | 80.7 | 51% | 0.508 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 131.8 | 175.4 | -68 | -25.6 | 0 | 0 | 0 | 110.2 | R10 Q225 | D8-R10 IonicContact OD2-NH2 3.55Å; D8-R10 PolarHBondContact OD2-NH2 2.81Å; D8-R10 VanDerWaalsContact OD2-NH2 3.11Å; D8-Q225 VanDerWaalsContact CA-OE1 3.32Å |
| 9 | T | 92.8 | Very high | 77.8 | Confident | 16 Ų | 16 | 76.9 Ų | 76.9 | 10% | 0.098 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 134.1 | 174.8 | 49.2 | 0 | 0 | 0 | 0 | 110.2 | S7 F51 V223 Q225 | S7-T9 PolarHBondContact O-N 2.76Å; T9-F51 HydrophobicContact CG2-CD2 4.41Å; T9-V223 WeakPolarHBondContact O-CG1 3.39Å; T9-V223 WeakPolarHBondContact OG1-CG1 3.48Å; T9-Q225 PolarHBondContact O-NE2 3.39Å; T9-Q225 PolarHBondContact OG1-OE1 2.9Å; T9-Q225 VanDerWaalsContact OG1-OE1 3.14Å |
| 10 | R | 97.7 | Very high | 78.9 | Confident | 83 Ų | 83 | 81.2 Ų | 81.2 | 31% | 0.313 | 44% | 0.438 | S | S | . | . | trans | -140 | 162.8 | -176.9 | -68.5 | 179.6 | -163.7 | -97.2 | -4.9 | 110.4 | D8 S24 H25 Q42 | D8-R10 IonicContact OD2-NH2 3.55Å; D8-R10 PolarHBondContact OD2-NH2 2.81Å; D8-R10 VanDerWaalsContact OD2-NH2 3.11Å; R10-S24 PolarHBondContact NH1-O 2.89Å; R10-H25 CarbonylContact C-O 3.51Å; R10-H25 VanDerWaalsContact CA-O 3.31Å; R10-H25 WeakPolarHBondContact CA-O 3.35Å; R10-H25 HydrophobicContact CB-CB 3.91Å; R10-H25 WeakPolarHBondContact CB-O 3.42Å; R10-H25 HydrophobicContact CG-CB 4.3Å; R10-Q42 HydrophobicContact CB-CB 4.09Å; R10-Q42 VanDerWaalsContact CB-OE1 3.27Å; R10-Q42 WeakPolarHBondContact O-CB 3.41Å; R10-Q42 PolarHBondContact O-N 2.76Å | ||
| 11 | F | 98.6 | Very high | 79.8 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 138.4 | 169.3 | -68.5 | -64.9 | 0 | 0 | 0 | 110.9 | I21 H25 A28 C39 F40 F51 V53 V212 V221 V223 | F11-I21 HydrophobicContact CB-CD1 3.73Å; F11-I21 HydrophobicContact CB-CG1 4.48Å; F11-I21 HydrophobicContact CB-CG2 4.41Å; F11-H25 PolarHBondContact N-O 2.75Å; F11-H25 PolarHBondContact O-ND1 3.39Å; F11-A28 HydrophobicContact CD2-CB 3.93Å; F11-A28 HydrophobicContact CE1-CB 4.46Å; F11-A28 HydrophobicContact CE2-CB 3.68Å; F11-A28 HydrophobicContact CG-CB 4.43Å; F11-A28 HydrophobicContact CZ-CB 3.99Å; F11-C39 HydrophobicContact CD1-CB 3.85Å; F11-C39 HydrophobicContact CE1-CB 4.02Å; F11-F40 CarbonylContact C-O 3.56Å; F11-F40 WeakPolarHBondContact CA-O 3.34Å; F11-F51 HydrophobicContact CD1-CE1 4.29Å; F11-F51 AromaticContact CD1-CZ 3.85Å; F11-F51 HydrophobicContact CD1-CZ 3.85Å; F11-F51 AromaticContact CE1-CE1 3.78Å; F11-F51 HydrophobicContact CE1-CE1 3.78Å; F11-F51 AromaticContact CE1-CZ 3.77Å; F11-F51 HydrophobicContact CE1-CZ 3.77Å; F11-F51 HydrophobicContact CZ-CE1 4.49Å; F11-V53 HydrophobicContact CE1-CG1 4.34Å; F11-V53 HydrophobicContact CZ-CG1 3.94Å; F11-V212 HydrophobicContact CE1-CG2 4.33Å; F11-V221 HydrophobicContact CE2-CG2 4.4Å; F11-V221 HydrophobicContact CZ-CG2 3.79Å; F11-V223 HydrophobicContact CD1-CG2 4.33Å; F11-V223 HydrophobicContact CD2-CG2 3.73Å; F11-V223 HydrophobicContact CE1-CG2 4.04Å; F11-V223 HydrophobicContact CE2-CG2 3.42Å; F11-V223 VanDerWaalsContact CE2-CG2 3.42Å; F11-V223 HydrophobicContact CG-CG2 4.17Å; F11-V223 HydrophobicContact CZ-CG2 3.57Å |
| 12 | H | 98.3 | Very high | 82.8 | Confident | 14 Ų | 14 | 68.5 Ų | 68.5 | 7% | 0.065 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 150.9 | 172.6 | -162.4 | -99.1 | 0 | 0 | 0 | 110.8 | V14 I21 F40 Q42 P75 | H12-V14 VanDerWaalsContact C-N 3.29Å; H12-V14 VanDerWaalsContact ND1-CB 3.31Å; H12-V14 WeakPolarHBondContact ND1-CB 3.42Å; H12-V14 PolarHBondContact ND1-N 2.83Å; H12-V14 PolarHBondContact O-N 2.93Å; H12-I21 WeakPolarHBondContact O-CD1 3.28Å; H12-F40 HydrophobicContact CB-CB 4.08Å; H12-F40 PolarHBondContact N-O 3.27Å; H12-Q42 PolarHBondContact CD2-O 3.02Å; H12-P75 HydrophobicContact CB-CB 4.4Å |
| 13 | H | 97.8 | Very high | 86.1 | Confident | 102 Ų | 102 | 69.9 Ų | 69.9 | 47% | 0.472 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | -23.8 | 178.3 | 67.6 | -84.3 | 0 | 0 | 0 | 112.9 | H15 Q76 | H13-H15 PolarHBondContact O-CD2 2.76Å; H13-Q76 PolarHBondContact CE1-OE1 3.16Å; H13-Q76 PolarHBondContact NE2-OE1 3.3Å |
| 14 | V | 98.2 | Very high | 88.8 | Confident | 27 Ų | 27 | 68 Ų | 68 | 16% | 0.164 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 123 | 167.8 | 179.2 | 0 | 0 | 0 | 0 | 108.9 | H12 F40 P75 V81 | H12-V14 VanDerWaalsContact C-N 3.29Å; H12-V14 VanDerWaalsContact ND1-CB 3.31Å; H12-V14 WeakPolarHBondContact ND1-CB 3.42Å; H12-V14 PolarHBondContact ND1-N 2.83Å; H12-V14 PolarHBondContact O-N 2.93Å; V14-F40 WeakPolarHBondContact O-CD2 3.3Å; V14-P75 HydrophobicContact CB-CB 4.43Å; V14-P75 WeakPolarHBondContact CG1-O 3.44Å; V14-V81 HydrophobicContact CG1-CG2 3.42Å; V14-V81 VanDerWaalsContact CG1-CG2 3.42Å |
| 15 | H | 98.3 | Very high | 91.3 | Very high | 58 Ų | 58 | 62.3 Ų | 62.3 | 27% | 0.269 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 171.1 | -179.7 | 58.5 | 73.3 | 0 | 0 | 0 | 110.3 | H13 V19 I21 L38 | H13-H15 PolarHBondContact O-CD2 2.76Å; H15-V19 HydrophobicContact CB-CB 4.27Å; H15-V19 HydrophobicContact CB-CG1 4.31Å; H15-V19 PolarHBondContact CE1-O 3.49Å; H15-V19 PolarHBondContact ND1-O 2.92Å; H15-I21 HydrophobicContact CB-CD1 4.14Å; H15-I21 WeakPolarHBondContact CD2-CD1 3.49Å; H15-L38 CarbonylContact C-O 3.41Å; H15-L38 WeakPolarHBondContact CA-O 3.23Å; H15-L38 WeakPolarHBondContact CB-O 3.44Å |
| 16 | G | 97.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -62.1 | 153.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N18 V19 N36 L38 | G16-N18 PolarHBondContact O-N 3.4Å; G16-N18 VanDerWaalsContact O-N 3.16Å; G16-V19 WeakPolarHBondContact O-CB 3.19Å; G16-V19 PolarHBondContact O-N 3.05Å; G16-N36 CarbonylContact C-O 3.58Å; G16-N36 WeakPolarHBondContact CA-O 2.95Å; G16-L38 PolarHBondContact N-O 3.28Å | ||
| 17 | T | 97.4 | Very high | 95.6 | Very high | 107 Ų | 107 | 53.9 Ų | 53.9 | 66% | 0.656 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -26.2 | -173.2 | 50.1 | 0 | 0 | 0 | 0 | 113.9 | N36 | T17-N36 VanDerWaalsContact OG1-CB 3.3Å; T17-N36 WeakPolarHBondContact OG1-CB 3.21Å |
| 18 | N | 97.4 | Very high | 97.1 | Very high | 19 Ų | 19 | 49.8 Ų | 49.8 | 10% | 0.102 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 9.3 | 179.1 | -68.3 | -20.3 | 0 | 0 | 0 | 113.1 | G16 R30 V31 E32 S33 A35 N36 | G16-N18 PolarHBondContact O-N 3.4Å; G16-N18 VanDerWaalsContact O-N 3.16Å; N18-R30 HydrophobicContact CB-CG 4.13Å; N18-R30 CarbonylContact O-C 3.58Å; N18-R30 WeakPolarHBondContact O-CA 3.37Å; N18-R30 WeakPolarHBondContact O-CG 3.5Å; N18-V31 WeakPolarHBondContact O-CG2 3.34Å; N18-V31 PolarHBondContact O-N 2.89Å; N18-E32 WeakPolarHBondContact CB-O 3.31Å; N18-E32 PolarHBondContact ND2-O 2.84Å; N18-S33 WeakPolarHBondContact ND2-CB 3.46Å; N18-A35 WeakPolarHBondContact CB-O 3.48Å; N18-A35 PolarHBondContact ND2-O 2.73Å; N18-N36 HydrophobicContact CB-CB 3.98Å; N18-N36 PolarHBondContact N-O 2.96Å |
| 19 | V | 98.1 | Very high | 97.7 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 140.2 | 177 | 177.6 | 0 | 0 | 0 | 0 | 110 | H15 G16 I21 A28 | H15-V19 HydrophobicContact CB-CB 4.27Å; H15-V19 HydrophobicContact CB-CG1 4.31Å; H15-V19 PolarHBondContact CE1-O 3.49Å; H15-V19 PolarHBondContact ND1-O 2.92Å; G16-V19 WeakPolarHBondContact O-CB 3.19Å; G16-V19 PolarHBondContact O-N 3.05Å; V19-I21 HydrophobicContact CG1-CG1 4.07Å; V19-A28 HydrophobicContact CG1-CB 3.97Å |
| 20 | R | 98.4 | Very high | 97.9 | Very high | 162 Ų | 162 | 46 Ų | 46 | 61% | 0.611 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123.8 | 163.5 | -173.9 | 177.2 | -64.1 | 135.3 | 3.5 | 108.9 | T29 V31 | R20-T29 PolarHBondContact N-O 2.9Å; R20-T29 PolarHBondContact O-N 3.11Å; R20-V31 HydrophobicContact CB-CG1 3.69Å |
| 21 | I | 98.4 | Very high | 97.8 | Very high | 26 Ų | 26 | 44.2 Ų | 44.2 | 13% | 0.133 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 139.2 | 173.1 | -62.1 | -178.1 | 0 | 0 | 0 | 109.1 | F11 H12 H15 V19 H25 Q27 | F11-I21 HydrophobicContact CB-CD1 3.73Å; F11-I21 HydrophobicContact CB-CG1 4.48Å; F11-I21 HydrophobicContact CB-CG2 4.41Å; H12-I21 WeakPolarHBondContact O-CD1 3.28Å; H15-I21 HydrophobicContact CB-CD1 4.14Å; H15-I21 WeakPolarHBondContact CD2-CD1 3.49Å; V19-I21 HydrophobicContact CG1-CG1 4.07Å; I21-H25 HydrophobicContact CG2-CB 4.17Å; I21-Q27 WeakPolarHBondContact CA-O 3.4Å |
| 22 | D | 97.7 | Very high | 97.5 | Very high | 33 Ų | 33 | 50.4 Ų | 50.4 | 18% | 0.176 | 26% | 0.263 | C | S | . | . | trans | -74.4 | 162.2 | 176.8 | 84.7 | -50.1 | 0 | 0 | 0 | 112.1 | S24 H25 T26 Q27 | D22-S24 VanDerWaalsContact CG-OG 3.29Å; D22-S24 PolarHBondContact O-N 3.02Å; D22-S24 PolarHBondContact OD1-OG 3.01Å; D22-S24 WeakPolarHBondContact OD2-CB 3.49Å; D22-S24 PolarHBondContact OD2-N 3.27Å; D22-S24 PolarHBondContact OD2-OG 3.47Å; D22-H25 PolarHBondContact O-N 2.82Å; D22-H25 PolarHBondContact OD1-N 3.48Å; D22-T26 PolarHBondContact OD1-N 3.44Å; D22-Q27 HydrophobicContact CB-CB 4.08Å; D22-Q27 PolarHBondContact N-O 3.12Å; D22-Q27 PolarHBondContact OD1-N 3.37Å | ||
| 23 | P | 97.4 | Very high | 97.1 | Very high | 132 Ų | 132 | 52.4 Ų | 52.4 | 86% | 0.857 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -21.9 | -177.9 | -26.2 | 35.5 | 0 | 0 | 0 | 114.7 | H25 | P23-H25 VanDerWaalsContact C-N 3.3Š|
| 24 | S | 96.5 | Very high | 96.5 | Very high | 42 Ų | 42 | 50.7 Ų | 50.7 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -6.5 | 175.5 | 77.9 | 0 | 0 | 0 | 0 | 113.3 | R10 D22 T26 | R10-S24 PolarHBondContact NH1-O 2.89Å; D22-S24 VanDerWaalsContact CG-OG 3.29Å; D22-S24 PolarHBondContact O-N 3.02Å; D22-S24 PolarHBondContact OD1-OG 3.01Å; D22-S24 WeakPolarHBondContact OD2-CB 3.49Å; D22-S24 PolarHBondContact OD2-N 3.27Å; D22-S24 PolarHBondContact OD2-OG 3.47Å; S24-T26 PolarHBondContact O-N 3.07Å; S24-T26 PolarHBondContact OG-N 3.41Å; S24-T26 PolarHBondContact OG-OG1 2.95Å |
| 25 | H | 97.9 | Very high | 96.1 | Very high | 59 Ų | 59 | 49.4 Ų | 49.4 | 27% | 0.273 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 55.7 | 28.6 | -173.3 | -68.3 | -118.7 | 0 | 0 | 0 | 113.2 | R10 F11 I21 D22 P23 | R10-H25 CarbonylContact C-O 3.51Å; R10-H25 VanDerWaalsContact CA-O 3.31Å; R10-H25 WeakPolarHBondContact CA-O 3.35Å; R10-H25 HydrophobicContact CB-CB 3.91Å; R10-H25 WeakPolarHBondContact CB-O 3.42Å; R10-H25 HydrophobicContact CG-CB 4.3Å; F11-H25 PolarHBondContact N-O 2.75Å; F11-H25 PolarHBondContact O-ND1 3.39Å; I21-H25 HydrophobicContact CG2-CB 4.17Å; D22-H25 PolarHBondContact O-N 2.82Å; D22-H25 PolarHBondContact OD1-N 3.48Å; P23-H25 VanDerWaalsContact C-N 3.3Å |
| 26 | T | 97.4 | Very high | 95.9 | Very high | 22 Ų | 22 | 48.1 Ų | 48.1 | 14% | 0.135 | 26% | 0.257 | C | S | . | . | trans | -109.3 | -13.9 | 178.2 | 67.3 | 0 | 0 | 0 | 0 | 112.7 | D22 S24 R222 V223 | D22-T26 PolarHBondContact OD1-N 3.44Å; S24-T26 PolarHBondContact O-N 3.07Å; S24-T26 PolarHBondContact OG-N 3.41Å; S24-T26 PolarHBondContact OG-OG1 2.95Å; T26-R222 CarbonylContact O-C 3.41Å; T26-R222 WeakPolarHBondContact O-CA 3.36Å; T26-R222 WeakPolarHBondContact O-CG 3.48Å; T26-R222 PolarHBondContact OG1-NH1 3.13Å; T26-V223 PolarHBondContact O-N 3.33Å | ||
| 27 | Q | 98.4 | Very high | 95.9 | Very high | 41 Ų | 41 | 48.1 Ų | 48.1 | 19% | 0.192 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 131 | 178.9 | -170.7 | -170 | 44.5 | 0 | 0 | 110.3 | I21 D22 E56 V221 R222 | I21-Q27 WeakPolarHBondContact CA-O 3.4Å; D22-Q27 HydrophobicContact CB-CB 4.08Å; D22-Q27 PolarHBondContact N-O 3.12Å; D22-Q27 PolarHBondContact OD1-N 3.37Å; Q27-E56 PolarHBondContact NE2-OE2 2.94Å; Q27-V221 WeakPolarHBondContact CA-O 3.25Å; Q27-R222 VanDerWaalsContact NE2-NH2 3.16Å |
| 28 | A | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 124.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | F11 V19 V214 S220 V221 | F11-A28 HydrophobicContact CD2-CB 3.93Å; F11-A28 HydrophobicContact CE1-CB 4.46Å; F11-A28 HydrophobicContact CE2-CB 3.68Å; F11-A28 HydrophobicContact CG-CB 4.43Å; F11-A28 HydrophobicContact CZ-CB 3.99Å; V19-A28 HydrophobicContact CG1-CB 3.97Å; A28-V214 HydrophobicContact CB-CG2 4.47Å; A28-S220 VanDerWaalsContact O-CA 3.23Å; A28-S220 WeakPolarHBondContact O-CA 3.13Å; A28-S220 WeakPolarHBondContact O-CB 3.12Å; A28-V221 HydrophobicContact CB-CG2 4.11Å; A28-V221 PolarHBondContact N-O 2.63Å; A28-V221 PolarHBondContact O-N 2.85Å |
| 29 | T | 98.4 | Very high | 96 | Very high | 32 Ų | 32 | 42.1 Ų | 42.1 | 20% | 0.196 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 124 | -179.4 | -59.3 | 0 | 0 | 0 | 0 | 109.5 | R20 V31 S220 | R20-T29 PolarHBondContact N-O 2.9Å; R20-T29 PolarHBondContact O-N 3.11Å; T29-V31 PolarHBondContact O-N 3.15Å; T29-S220 WeakPolarHBondContact OG1-CB 2.78Å |
| 30 | R | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 120.1 | 171.2 | -169.4 | -175.8 | 66.6 | -125.1 | -2.5 | 109.1 | N18 E32 S33 E59 V214 F215 A216 T218 K219 | N18-R30 HydrophobicContact CB-CG 4.13Å; N18-R30 CarbonylContact O-C 3.58Å; N18-R30 WeakPolarHBondContact O-CA 3.37Å; N18-R30 WeakPolarHBondContact O-CG 3.5Å; R30-E32 WeakPolarHBondContact CD-O 3.31Å; R30-E32 WeakPolarHBondContact CG-O 2.96Å; R30-S33 PolarHBondContact NE-O 2.69Å; R30-S33 PolarHBondContact NH2-O 3.24Å; R30-E59 IonicContact CZ-OE2 3.34Å; R30-E59 IonicContact NH2-OE2 3.39Å; R30-E59 PolarHBondContact NH2-OE2 3.45Å; R30-V214 HydrophobicContact CB-CG1 3.95Å; R30-V214 WeakPolarHBondContact CD-O 3.33Å; R30-V214 PolarHBondContact NH1-O 3.04Å; R30-F215 VanDerWaalsContact NH1-C 3.31Å; R30-A216 VanDerWaalsContact CZ-O 3.25Å; R30-A216 VanDerWaalsContact NH1-N 3.16Å; R30-A216 PolarHBondContact NH1-O 2.79Å; R30-A216 PolarHBondContact NH2-O 2.78Å; R30-T218 PolarHBondContact NH1-O 2.95Å; R30-K219 PolarHBondContact N-O 2.91Å; R30-K219 WeakPolarHBondContact O-CD 3.3Å; R30-K219 WeakPolarHBondContact O-CE 3.44Å; R30-K219 PolarHBondContact O-NZ 2.77Å |
| 31 | V | 96.6 | Very high | 96 | Very high | 44 Ų | 44 | 34.2 Ų | 34.2 | 27% | 0.267 | 19% | 0.191 | S | C | . | . | trans | -92 | -29.4 | -175.1 | -64.4 | 0 | 0 | 0 | 0 | 112.8 | N18 R20 T29 | N18-V31 WeakPolarHBondContact O-CG2 3.34Å; N18-V31 PolarHBondContact O-N 2.89Å; R20-V31 HydrophobicContact CB-CG1 3.69Å; T29-V31 PolarHBondContact O-N 3.15Å | ||
| 32 | E | 91.8 | Very high | 96 | Very high | 131 Ų | 131 | 36.3 Ų | 36.3 | 61% | 0.612 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -140.1 | 158.5 | -175.8 | -68.4 | -176.2 | -167 | 0 | 0 | 112.4 | N18 R30 | N18-E32 WeakPolarHBondContact CB-O 3.31Å; N18-E32 PolarHBondContact ND2-O 2.84Å; R30-E32 WeakPolarHBondContact CD-O 3.31Å; R30-E32 WeakPolarHBondContact CG-O 2.96Å |
| 33 | S | 90.6 | Very high | 95.9 | Very high | 55 Ų | 55 | 40 Ų | 40 | 39% | 0.385 | 22% | 0.216 | S | C | . | . | S | Bend | trans | 52.7 | -161.1 | 177.1 | -165.4 | 0 | 0 | 0 | 0 | 114 | N18 R30 | N18-S33 WeakPolarHBondContact ND2-CB 3.46Å; R30-S33 PolarHBondContact NE-O 2.69Å; R30-S33 PolarHBondContact NH2-O 3.24Å |
| 34 | F | 84.9 | Confident | 95.9 | Very high | 66 Ų | 66 | 35.3 Ų | 35.3 | 29% | 0.289 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -114.9 | -6.4 | 173.6 | 66.6 | -87.8 | 0 | 0 | 0 | 113.5 | W62 Y84 F215 A216 | F34-W62 HydrophobicContact CB-CD2 3.66Å; F34-W62 HydrophobicContact CB-CE3 3.55Å; F34-W62 HydrophobicContact CB-CG 4.27Å; F34-W62 HydrophobicContact CB-CH2 4.13Å; F34-W62 HydrophobicContact CB-CZ2 4.21Å; F34-W62 HydrophobicContact CB-CZ3 3.81Å; F34-W62 AromaticContact CD1-CE3 3.86Å; F34-W62 HydrophobicContact CD1-CE3 3.86Å; F34-W62 AromaticContact CD1-CH2 3.44Å; F34-W62 HydrophobicContact CD1-CH2 3.44Å; F34-W62 VanDerWaalsContact CD1-CH2 3.44Å; F34-W62 HydrophobicContact CD1-CZ2 4.24Å; F34-W62 AromaticContact CD1-CZ3 3.21Å; F34-W62 HydrophobicContact CD1-CZ3 3.21Å; F34-W62 HydrophobicContact CE1-CH2 4.27Å; F34-W62 AromaticContact CE1-CZ3 3.97Å; F34-W62 HydrophobicContact CE1-CZ3 3.97Å; F34-W62 HydrophobicContact CG-CD2 4.45Å; F34-W62 AromaticContact CG-CE3 3.86Å; F34-W62 HydrophobicContact CG-CE3 3.86Å; F34-W62 HydrophobicContact CG-CH2 4.18Å; F34-W62 AromaticContact CG-CZ3 3.71Å; F34-W62 HydrophobicContact CG-CZ3 3.71Å; F34-Y84 HydrophobicContact CE2-CE1 4.07Å; F34-F215 AromaticContact CD2-CE2 3.8Å; F34-F215 HydrophobicContact CD2-CE2 3.8Å; F34-F215 HydrophobicContact CD2-CZ 4.18Å; F34-F215 HydrophobicContact CE2-CE2 4.24Å; F34-F215 VanDerWaalsContact O-CD2 3.25Å; F34-F215 WeakPolarHBondContact O-CD2 3.32Å; F34-A216 PolarHBondContact O-N 2.81Å; F34-A216 VanDerWaalsContact O-N 3.11Å |
| 35 | A | 88.8 | Confident | 95.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -122.7 | -176.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N18 G37 E83 Y84 | N18-A35 WeakPolarHBondContact CB-O 3.48Å; N18-A35 PolarHBondContact ND2-O 2.73Å; A35-G37 PolarHBondContact O-N 3.14Å; A35-E83 HydrophobicContact CB-CG 4.02Å; A35-Y84 HydrophobicContact CB-CD1 4.12Å; A35-Y84 HydrophobicContact CB-CE1 3.32Å; A35-Y84 WeakPolarHBondContact CB-OH 3.13Å |
| 36 | N | 95 | Very high | 95.8 | Very high | 31 Ų | 31 | 36.2 Ų | 36.2 | 17% | 0.166 | 19% | 0.185 | C | C | . | . | trans | 55.7 | 38.6 | -173.2 | -58.7 | -79.2 | 0 | 0 | 0 | 112.3 | G16 T17 N18 E83 | G16-N36 CarbonylContact C-O 3.58Å; G16-N36 WeakPolarHBondContact CA-O 2.95Å; T17-N36 VanDerWaalsContact OG1-CB 3.3Å; T17-N36 WeakPolarHBondContact OG1-CB 3.21Å; N18-N36 HydrophobicContact CB-CB 3.98Å; N18-N36 PolarHBondContact N-O 2.96Å; N36-E83 WeakPolarHBondContact CA-O 3.44Å; N36-E83 PolarHBondContact N-O 3.21Å; N36-E83 WeakPolarHBondContact OD1-CA 3.45Å | ||
| 37 | G | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -97.1 | 6.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | A35 C39 V214 | A35-G37 PolarHBondContact O-N 3.14Å; G37-C39 PolarHBondContact O-SG 3.42Å; G37-V214 PolarHBondContact O-N 2.93Å | ||
| 38 | L | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 132.5 | -173.6 | -85.3 | 174.5 | 0 | 0 | 0 | 112.5 | H15 G16 F40 V81 P82 L89 V211 V212 D213 | H15-L38 CarbonylContact C-O 3.41Å; H15-L38 WeakPolarHBondContact CA-O 3.23Å; H15-L38 WeakPolarHBondContact CB-O 3.44Å; G16-L38 PolarHBondContact N-O 3.28Å; L38-F40 HydrophobicContact CB-CZ 4.44Å; L38-V81 HydrophobicContact CB-CG1 3.64Å; L38-V81 HydrophobicContact CD1-CG1 3.92Å; L38-V81 HydrophobicContact CG-CG1 4.44Å; L38-P82 HydrophobicContact CD1-CB 4.17Å; L38-P82 WeakPolarHBondContact CD1-O 3.49Å; L38-L89 HydrophobicContact CD1-CB 4.31Å; L38-L89 HydrophobicContact CD1-CD2 4.16Å; L38-L89 HydrophobicContact CD2-CD2 3.94Å; L38-V211 HydrophobicContact CD2-CG1 3.52Å; L38-V212 CarbonylContact C-O 3.52Å; L38-D213 HydrophobicContact CD2-CB 4.18Å |
| 39 | C | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 150.8 | 174.6 | -53.8 | 0 | 0 | 0 | 0 | 108.6 | F11 G37 V211 V212 | F11-C39 HydrophobicContact CD1-CB 3.85Å; F11-C39 HydrophobicContact CE1-CB 4.02Å; G37-C39 PolarHBondContact O-SG 3.42Å; C39-V211 WeakPolarHBondContact O-CA 3.36Å; C39-V212 HydrophobicContact CB-CB 4.41Å; C39-V212 PolarHBondContact N-O 3.34Å; C39-V212 PolarHBondContact O-N 2.65Å |
| 40 | F | 98.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 156.7 | 179.7 | -54.4 | -84.8 | 0 | 0 | 0 | 111.2 | F11 H12 V14 L38 T71 P75 L78 V81 L89 A210 V211 | F11-F40 CarbonylContact C-O 3.56Å; F11-F40 WeakPolarHBondContact CA-O 3.34Å; H12-F40 HydrophobicContact CB-CB 4.08Å; H12-F40 PolarHBondContact N-O 3.27Å; V14-F40 WeakPolarHBondContact O-CD2 3.3Å; L38-F40 HydrophobicContact CB-CZ 4.44Å; F40-T71 HydrophobicContact CD1-CG2 4.2Å; F40-T71 HydrophobicContact CE1-CG2 4.29Å; F40-P75 HydrophobicContact CB-CB 3.96Å; F40-P75 HydrophobicContact CB-CG 3.47Å; F40-P75 VanDerWaalsContact CB-CG 3.47Å; F40-P75 HydrophobicContact CD1-CG 4.15Å; F40-P75 HydrophobicContact CD2-CB 4.02Å; F40-P75 HydrophobicContact CD2-CG 4.31Å; F40-P75 HydrophobicContact CG-CB 3.96Å; F40-P75 HydrophobicContact CG-CG 3.73Å; F40-L78 HydrophobicContact CE1-CD1 4.34Å; F40-L78 HydrophobicContact CE2-CD1 3.9Å; F40-L78 HydrophobicContact CZ-CD1 3.65Å; F40-V81 HydrophobicContact CE2-CG1 4.06Å; F40-V81 HydrophobicContact CE2-CG2 4.32Å; F40-V81 HydrophobicContact CZ-CG1 4.35Å; F40-L89 HydrophobicContact CE1-CD2 4.14Å; F40-A210 CarbonylContact C-O 3.51Å; F40-A210 WeakPolarHBondContact CA-O 3.46Å; F40-V211 HydrophobicContact CD1-CG2 3.96Å; F40-V211 HydrophobicContact CE1-CG1 4.29Å; F40-V211 HydrophobicContact CE1-CG2 4.01Å |
| 41 | S | 98.6 | Very high | 95.3 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 142.9 | 164.6 | 59.3 | 0 | 0 | 0 | 0 | 110 | E43 A210 | S41-E43 VanDerWaalsContact C-N 3.34Å; S41-E43 WeakPolarHBondContact CB-O 3.5Å; S41-E43 PolarHBondContact OG-O 3.43Å; S41-A210 PolarHBondContact N-O 3.22Å; S41-A210 PolarHBondContact OG-N 3.44Å |
| 42 | Q | 97.7 | Very high | 95.3 | Very high | 71 Ų | 71 | 33.5 Ų | 33.5 | 33% | 0.332 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -62.9 | -43.3 | 179.2 | -179.1 | 175.6 | -24.3 | 0 | 0 | 111.9 | R10 H12 | R10-Q42 HydrophobicContact CB-CB 4.09Å; R10-Q42 VanDerWaalsContact CB-OE1 3.27Å; R10-Q42 WeakPolarHBondContact O-CB 3.41Å; R10-Q42 PolarHBondContact O-N 2.76Å; H12-Q42 PolarHBondContact CD2-O 3.02Å |
| 43 | E | 96.9 | Very high | 95.6 | Very high | 109 Ų | 109 | 27.3 Ų | 27.3 | 51% | 0.509 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -111.7 | 155 | 177.4 | -60.1 | -59.4 | 147.3 | 0 | 0 | 109.2 | S41 | S41-E43 VanDerWaalsContact C-N 3.34Å; S41-E43 WeakPolarHBondContact CB-O 3.5Å; S41-E43 PolarHBondContact OG-O 3.43Å |
| 44 | P | 97.4 | Very high | 95.9 | Very high | 34 Ų | 34 | 25.1 Ų | 25.1 | 22% | 0.221 | 13% | 0.127 | C | C | . | . | P | Polyproline II helix | trans | -60.4 | 146.2 | 167.6 | 28.1 | -34.1 | 0 | 0 | 0 | 109.8 | P207 L208 Y209 | P44-P207 HydrophobicContact CB-CB 3.52Å; P44-P207 HydrophobicContact CG-CB 4Å; P44-L208 CarbonylContact C-O 3.52Å; P44-L208 WeakPolarHBondContact CA-O 3.25Å; P44-Y209 HydrophobicContact CB-CD1 4.39Å; P44-Y209 HydrophobicContact CB-CE1 4.09Å; P44-Y209 HydrophobicContact CB-CE2 4.28Å; P44-Y209 HydrophobicContact CG-CE1 4.35Å; P44-Y209 VanDerWaalsContact N-CE1 3.32Å |
| 45 | L | 96.6 | Very high | 96.4 | Very high | 7 Ų | 7 | 22 Ų | 22 | 4% | 0.037 | 11% | 0.113 | C | C | . | . | P | Polyproline II helix | trans | -75.3 | 140.9 | 177.9 | -56.2 | -171.5 | 0 | 0 | 0 | 110 | Q49 F51 L70 Y176 L208 A210 | L45-Q49 HydrophobicContact CB-CB 4.49Å; L45-F51 HydrophobicContact CD1-CB 3.97Å; L45-F51 HydrophobicContact CD2-CB 3.97Å; L45-F51 HydrophobicContact CD2-CD2 4.15Å; L45-F51 HydrophobicContact CD2-CG 4.5Å; L45-L70 HydrophobicContact CD1-CD2 3.7Å; L45-Y176 HydrophobicContact CB-CD1 4.46Å; L45-Y176 HydrophobicContact CB-CE1 3.97Å; L45-Y176 WeakPolarHBondContact O-CE1 3.16Å; L45-Y176 PolarHBondContact O-OH 3.21Å; L45-L208 PolarHBondContact N-O 2.94Å; L45-A210 HydrophobicContact CD1-CB 4.11Å; L45-A210 HydrophobicContact CD2-CB 4.42Å; L45-A210 HydrophobicContact CG-CB 4.42Å |
| 46 | E | 95.2 | Very high | 96.7 | Very high | 113 Ų | 113 | 23 Ų | 23 | 53% | 0.528 | 12% | 0.118 | S | C | . | . | P | Polyproline II helix | trans | -76.7 | 156.2 | 166.5 | -67.4 | -63.7 | 154.9 | 0 | 0 | 111.1 | G48 Q49 | E46-G48 PolarHBondContact O-N 3.36Å; E46-Q49 HydrophobicContact CB-CB 4.05Å; E46-Q49 WeakPolarHBondContact O-CB 3.43Å; E46-Q49 PolarHBondContact O-N 3.26Å |
| 47 | P | 95 | Very high | 96.6 | Very high | 57 Ų | 57 | 26.1 Ų | 26.1 | 37% | 0.37 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 125.3 | 172.2 | -26.6 | 35.2 | 0 | 0 | 0 | 112.3 | Q49 Y176 P178 | P47-Q49 PolarHBondContact O-N 3.29Å; P47-Y176 HydrophobicContact CB-CE2 4.03Å; P47-Y176 VanDerWaalsContact CD-OH 3.31Å; P47-Y176 WeakPolarHBondContact CD-OH 3.24Å; P47-Y176 HydrophobicContact CG-CE2 3.89Å; P47-P178 HydrophobicContact CB-CG 4.06Å |
| 48 | G | 94.3 | Very high | 96.4 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 4% | 0.041 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 3.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | E46 V134 Y176 Y228 | E46-G48 PolarHBondContact O-N 3.36Å; G48-V134 WeakPolarHBondContact O-CG1 3.34Å; G48-Y176 WeakPolarHBondContact CA-O 2.93Å; G48-Y176 PolarHBondContact N-O 2.72Å; G48-Y228 PolarHBondContact O-OH 2.69Å |
| 49 | Q | 95.5 | Very high | 96.1 | Very high | 18 Ų | 18 | 31.9 Ų | 31.9 | 8% | 0.084 | 16% | 0.157 | C | C | . | . | trans | -75.4 | 127 | 169.9 | -171.8 | 178.2 | 8 | 0 | 0 | 110.1 | L45 E46 P47 L175 Y228 | L45-Q49 HydrophobicContact CB-CB 4.49Å; E46-Q49 HydrophobicContact CB-CB 4.05Å; E46-Q49 WeakPolarHBondContact O-CB 3.43Å; E46-Q49 PolarHBondContact O-N 3.26Å; P47-Q49 PolarHBondContact O-N 3.29Å; Q49-L175 WeakPolarHBondContact O-CB 3.41Å; Q49-Y228 VanDerWaalsContact CA-OH 3.26Å; Q49-Y228 WeakPolarHBondContact CA-OH 3.33Å | ||
| 50 | I | 96.4 | Very high | 95.7 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.015 | 20% | 0.198 | C | C | . | . | trans | -94.9 | 125.5 | 177.1 | -164.7 | 175.9 | 0 | 0 | 0 | 109.5 | L52 I136 L141 V174 L175 V189 V226 Y228 | I50-L52 HydrophobicContact CD1-CD1 4.24Å; I50-L52 HydrophobicContact CG1-CB 4.49Å; I50-I136 HydrophobicContact CB-CD1 4.33Å; I50-I136 HydrophobicContact CD1-CD1 4.27Å; I50-I136 HydrophobicContact CG2-CD1 4.44Å; I50-L141 HydrophobicContact CD1-CD2 3.68Å; I50-V174 WeakPolarHBondContact CA-O 3.37Å; I50-L175 HydrophobicContact CB-CB 4.28Å; I50-L175 HydrophobicContact CB-CD2 4.28Å; I50-L175 HydrophobicContact CD1-CD2 4.07Å; I50-L175 HydrophobicContact CG1-CB 4.46Å; I50-L175 HydrophobicContact CG1-CD2 3.96Å; I50-V189 HydrophobicContact CD1-CB 4Å; I50-V189 HydrophobicContact CD1-CG1 4.45Å; I50-V189 HydrophobicContact CD1-CG2 3.9Å; I50-V226 HydrophobicContact CG2-CB 4.03Å; I50-V226 HydrophobicContact CG2-CG1 4.12Å; I50-V226 HydrophobicContact CG2-CG2 3.77Å; I50-Y228 WeakPolarHBondContact CG2-OH 3.19Å; I50-Y228 PolarHBondContact N-OH 3.22Å | ||
| 51 | F | 97.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 103.7 | 163.8 | -165.7 | -94.3 | 0 | 0 | 0 | 108 | T9 F11 L45 V53 G173 V174 A210 V212 V223 | T9-F51 HydrophobicContact CG2-CD2 4.41Å; F11-F51 HydrophobicContact CD1-CE1 4.29Å; F11-F51 AromaticContact CD1-CZ 3.85Å; F11-F51 HydrophobicContact CD1-CZ 3.85Å; F11-F51 AromaticContact CE1-CE1 3.78Å; F11-F51 HydrophobicContact CE1-CE1 3.78Å; F11-F51 AromaticContact CE1-CZ 3.77Å; F11-F51 HydrophobicContact CE1-CZ 3.77Å; F11-F51 HydrophobicContact CZ-CE1 4.49Å; L45-F51 HydrophobicContact CD1-CB 3.97Å; L45-F51 HydrophobicContact CD2-CB 3.97Å; L45-F51 HydrophobicContact CD2-CD2 4.15Å; L45-F51 HydrophobicContact CD2-CG 4.5Å; F51-V53 HydrophobicContact CD1-CG1 4.15Å; F51-V53 HydrophobicContact CE1-CG1 3.74Å; F51-G173 WeakPolarHBondContact O-CA 3.31Å; F51-V174 HydrophobicContact CB-CG1 4.15Å; F51-V174 PolarHBondContact N-O 2.83Å; F51-V174 PolarHBondContact O-N 2.56Å; F51-A210 HydrophobicContact CB-CB 3.49Å; F51-A210 VanDerWaalsContact CB-CB 3.49Å; F51-A210 HydrophobicContact CD1-CB 3.55Å; F51-A210 HydrophobicContact CD2-CB 3.93Å; F51-A210 HydrophobicContact CE1-CB 4.24Å; F51-A210 HydrophobicContact CG-CB 3.36Å; F51-V212 HydrophobicContact CD1-CG2 4.16Å; F51-V212 HydrophobicContact CE1-CG2 3.85Å; F51-V223 HydrophobicContact CE1-CG2 4.28Å; F51-V223 HydrophobicContact CE2-CG1 4.48Å; F51-V223 HydrophobicContact CE2-CG2 4.33Å; F51-V223 HydrophobicContact CZ-CG2 3.71Å |
| 52 | L | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 127.2 | -171.8 | -174.7 | 67.7 | 0 | 0 | 0 | 110.7 | I50 K140 L141 R171 V223 I224 V226 | I50-L52 HydrophobicContact CD1-CD1 4.24Å; I50-L52 HydrophobicContact CG1-CB 4.49Å; L52-K140 VanDerWaalsContact CD2-O 3.26Å; L52-K140 WeakPolarHBondContact CD2-O 3.42Å; L52-L141 HydrophobicContact CD1-CD2 4.25Å; L52-L141 HydrophobicContact CD2-CD2 3.99Å; L52-R171 HydrophobicContact CD1-CB 4.04Å; L52-R171 HydrophobicContact CG-CB 4.49Å; L52-V223 CarbonylContact O-C 3.56Å; L52-V223 WeakPolarHBondContact O-CA 3.31Å; L52-I224 HydrophobicContact CB-CB 4.39Å; L52-I224 HydrophobicContact CD2-CB 3.86Å; L52-I224 HydrophobicContact CD2-CG2 3.89Å; L52-I224 HydrophobicContact CG-CB 4.07Å; L52-I224 PolarHBondContact O-N 3.36Å; L52-V226 HydrophobicContact CB-CG2 4.07Å; L52-V226 HydrophobicContact CD2-CG2 3.63Å |
| 53 | V | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 142.3 | 175.5 | -62.6 | 0 | 0 | 0 | 0 | 112 | F11 F51 L66 I68 R171 I172 V212 V221 R222 V223 | F11-V53 HydrophobicContact CE1-CG1 4.34Å; F11-V53 HydrophobicContact CZ-CG1 3.94Å; F51-V53 HydrophobicContact CD1-CG1 4.15Å; F51-V53 HydrophobicContact CE1-CG1 3.74Å; V53-L66 HydrophobicContact CG2-CD2 4.26Å; V53-I68 HydrophobicContact CG2-CD1 4.38Å; V53-R171 CarbonylContact O-C 3.57Å; V53-R171 VanDerWaalsContact O-CA 3.25Å; V53-R171 WeakPolarHBondContact O-CA 3.48Å; V53-I172 HydrophobicContact CG2-CB 4.47Å; V53-I172 WeakPolarHBondContact CG2-O 3.34Å; V53-I172 PolarHBondContact N-O 3.42Å; V53-I172 PolarHBondContact O-N 2.73Å; V53-V212 HydrophobicContact CG1-CG2 4.19Å; V53-V221 HydrophobicContact CB-CB 4.23Å; V53-R222 CarbonylContact C-O 3.5Å; V53-R222 VanDerWaalsContact CA-O 3.27Å; V53-R222 WeakPolarHBondContact CA-O 3.04Å; V53-V223 HydrophobicContact CG1-CG2 4.41Å |
| 54 | E | 96.2 | Very high | 93.5 | Very high | 9 Ų | 9 | 46.4 Ų | 46.4 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 133.3 | 170.7 | -172.5 | 174 | 111.9 | 0 | 0 | 110 | E56 R169 S170 R171 V221 R222 I224 | E54-E56 PolarHBondContact O-N 3.41Å; E54-R169 WeakPolarHBondContact OE1-CD 3.41Å; E54-R169 IonicContact OE1-CZ 3.3Å; E54-R169 IonicContact OE1-NE 2.74Å; E54-R169 IonicContact OE1-NH1 3.11Å; E54-R169 PolarHBondContact OE1-NH1 2.9Å; E54-S170 WeakPolarHBondContact CA-O 3.43Å; E54-R171 HydrophobicContact CB-CG 3.96Å; E54-R171 HydrophobicContact CG-CG 4.03Å; E54-R171 IonicContact OE2-CZ 3.41Å; E54-R171 VanDerWaalsContact OE2-CZ 3.29Å; E54-R171 IonicContact OE2-NE 3.23Å; E54-R171 PolarHBondContact OE2-NE 2.73Å; E54-R171 IonicContact OE2-NH2 3.82Å; E54-R171 PolarHBondContact OE2-NH2 3.47Å; E54-V221 CarbonylContact O-C 3.53Å; E54-V221 VanDerWaalsContact O-CA 3.23Å; E54-V221 WeakPolarHBondContact O-CA 3.28Å; E54-R222 PolarHBondContact N-O 2.67Å; E54-R222 PolarHBondContact O-N 2.56Å; E54-I224 HydrophobicContact CB-CD1 3.81Å; E54-I224 HydrophobicContact CB-CG1 3.82Å |
| 55 | I | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 111 | 173.8 | -60.5 | 174.4 | 0 | 0 | 0 | 109.3 | K58 L66 T166 R169 S170 I172 T218 V221 | I55-K58 HydrophobicContact CG2-CD 3.7Å; I55-K58 HydrophobicContact CG2-CG 4.4Å; I55-L66 HydrophobicContact CD1-CD2 4.45Å; I55-L66 HydrophobicContact CG1-CD2 4.49Å; I55-T166 HydrophobicContact CD1-CG2 4.29Å; I55-T166 WeakPolarHBondContact CD1-O 3.11Å; I55-R169 PolarHBondContact O-N 3.27Å; I55-S170 PolarHBondContact N-O 3.24Å; I55-I172 HydrophobicContact CD1-CD1 3.62Å; I55-I172 HydrophobicContact CG1-CD1 3.86Å; I55-T218 HydrophobicContact CG1-CG2 4.35Å; I55-T218 HydrophobicContact CG2-CG2 4.09Å; I55-V221 HydrophobicContact CG1-CG1 4.28Å |
| 56 | E | 94.3 | Very high | 93 | Very high | 23 Ų | 23 | 47.8 Ų | 47.8 | 11% | 0.107 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -40.7 | -177.6 | -65.9 | -154.5 | 123.8 | 0 | 0 | 112.5 | Q27 E54 R168 S220 R222 | Q27-E56 PolarHBondContact NE2-OE2 2.94Å; E54-E56 PolarHBondContact O-N 3.41Å; E56-R168 WeakPolarHBondContact O-CG 3.33Å; E56-R168 PolarHBondContact O-NE 2.89Å; E56-S220 PolarHBondContact N-O 2.84Å; E56-R222 HydrophobicContact CG-CB 3.81Å; E56-R222 IonicContact OE1-CZ 2.86Å; E56-R222 IonicContact OE1-NE 3.46Å; E56-R222 PolarHBondContact OE1-NE 2.93Å; E56-R222 IonicContact OE1-NH2 2.83Å; E56-R222 PolarHBondContact OE1-NH2 3.27Å; E56-R222 IonicContact OE2-CZ 3.14Å; E56-R222 IonicContact OE2-NE 3.45Å; E56-R222 PolarHBondContact OE2-NE 3.41Å; E56-R222 IonicContact OE2-NH2 3.81Å; E56-R222 PolarHBondContact OE2-NH2 3.09Å |
| 57 | E | 94 | Very high | 93.1 | Very high | 95 Ų | 95 | 44 Ų | 44 | 44% | 0.444 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 149.6 | -176.3 | -60.9 | 178 | -172.9 | 0 | 0 | 112.3 | K219 S220 | E57-K219 HydrophobicContact CB-CB 3.84Å; E57-K219 HydrophobicContact CB-CG 4.22Å; E57-K219 PolarHBondContact O-N 3.03Å; E57-S220 WeakPolarHBondContact CB-OG 3.43Å; E57-S220 WeakPolarHBondContact CG-OG 3.47Å; E57-S220 PolarHBondContact N-O 3.17Å; E57-S220 PolarHBondContact N-OG 2.84Å; E57-S220 PolarHBondContact O-N 3.03Å |
| 58 | K | 93.3 | Very high | 93.2 | Very high | 68 Ų | 68 | 41.3 Ų | 41.3 | 30% | 0.296 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 146.6 | 175.5 | -59.9 | -70 | -67.8 | -177.8 | 0 | 108.3 | I55 T166 R168 S217 T218 | I55-K58 HydrophobicContact CG2-CD 3.7Å; I55-K58 HydrophobicContact CG2-CG 4.4Å; K58-T166 WeakPolarHBondContact CD-O 3.26Å; K58-T166 WeakPolarHBondContact CE-O 3.43Å; K58-T166 PolarHBondContact NZ-O 2.86Å; K58-R168 HydrophobicContact CG-CB 4.4Å; K58-S217 CarbonylContact C-O 3.47Å; K58-S217 WeakPolarHBondContact CA-O 3.4Å; K58-S217 WeakPolarHBondContact CB-O 3.44Å; K58-S217 WeakPolarHBondContact CD-O 3.35Å; K58-S217 WeakPolarHBondContact CE-O 3.37Å; K58-S217 WeakPolarHBondContact CE-OG 3.42Å; K58-S217 PolarHBondContact NZ-OG 3.15Å; K58-T218 PolarHBondContact NZ-OG1 3.24Å |
| 59 | E | 91.9 | Very high | 93.4 | Very high | 53 Ų | 53 | 41.1 Ų | 41.1 | 25% | 0.248 | 23% | 0.231 | C | C | . | . | trans | -106.5 | 128.2 | 175.2 | -163.6 | 173.6 | 159.6 | 0 | 0 | 109.4 | R30 W62 S217 K219 | R30-E59 IonicContact CZ-OE2 3.34Å; R30-E59 IonicContact NH2-OE2 3.39Å; R30-E59 PolarHBondContact NH2-OE2 3.45Å; E59-W62 PolarHBondContact OE1-NE1 2.86Å; E59-S217 PolarHBondContact N-O 3.02Å; E59-K219 HydrophobicContact CB-CB 4.18Å; E59-K219 HydrophobicContact CB-CD 4.32Å; E59-K219 VanDerWaalsContact OE2-CD 3.28Å; E59-K219 WeakPolarHBondContact OE2-CD 3.37Å; E59-K219 IonicContact OE2-NZ 2.93Å; E59-K219 PolarHBondContact OE2-NZ 3.09Å | ||
| 60 | L | 88.6 | Confident | 93.5 | Very high | 165 Ų | 165 | 40.2 Ų | 40.2 | 86% | 0.864 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | 153.7 | 177.2 | -61.1 | 177.1 | 0 | 0 | 0 | 110.3 | W62 | L60-W62 VanDerWaalsContact C-N 3.32Š|
| 61 | G | 86.3 | Confident | 93.6 | Very high | 81 Ų | 81 | 40.1 Ų | 40.1 | 84% | 0.835 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.1 | -8.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 62 | W | 88.4 | Confident | 93.6 | Very high | 94 Ų | 94 | 40.7 Ų | 40.7 | 36% | 0.356 | 23% | 0.231 | S | C | . | . | trans | -107.2 | 138.1 | 174.3 | -60 | 110.7 | 0 | 0 | 0 | 112 | F34 E59 L60 A216 S217 | F34-W62 HydrophobicContact CB-CD2 3.66Å; F34-W62 HydrophobicContact CB-CE3 3.55Å; F34-W62 HydrophobicContact CB-CG 4.27Å; F34-W62 HydrophobicContact CB-CH2 4.13Å; F34-W62 HydrophobicContact CB-CZ2 4.21Å; F34-W62 HydrophobicContact CB-CZ3 3.81Å; F34-W62 AromaticContact CD1-CE3 3.86Å; F34-W62 HydrophobicContact CD1-CE3 3.86Å; F34-W62 AromaticContact CD1-CH2 3.44Å; F34-W62 HydrophobicContact CD1-CH2 3.44Å; F34-W62 VanDerWaalsContact CD1-CH2 3.44Å; F34-W62 HydrophobicContact CD1-CZ2 4.24Å; F34-W62 AromaticContact CD1-CZ3 3.21Å; F34-W62 HydrophobicContact CD1-CZ3 3.21Å; F34-W62 HydrophobicContact CE1-CH2 4.27Å; F34-W62 AromaticContact CE1-CZ3 3.97Å; F34-W62 HydrophobicContact CE1-CZ3 3.97Å; F34-W62 HydrophobicContact CG-CD2 4.45Å; F34-W62 AromaticContact CG-CE3 3.86Å; F34-W62 HydrophobicContact CG-CE3 3.86Å; F34-W62 HydrophobicContact CG-CH2 4.18Å; F34-W62 AromaticContact CG-CZ3 3.71Å; F34-W62 HydrophobicContact CG-CZ3 3.71Å; E59-W62 PolarHBondContact OE1-NE1 2.86Å; L60-W62 VanDerWaalsContact C-N 3.32Å; W62-A216 HydrophobicContact CB-CB 4.36Å; W62-S217 WeakPolarHBondContact O-CB 3.36Å | ||
| 63 | C | 84.8 | Confident | 93.5 | Very high | 126 Ų | 126 | 42.9 Ų | 42.9 | 85% | 0.851 | 24% | 0.241 | S | C | * | . | trans | -108.7 | 131.8 | 174.8 | -68 | 0 | 0 | 0 | 0 | 109.8 | A216 | C63-A216 WeakPolarHBondContact O-CB 3.18Š| ||
| 64 | G | 87.1 | Confident | 93.5 | Very high | 24 Ų | 24 | 46 Ų | 46 | 25% | 0.247 | 26% | 0.258 | C | S | . | . | trans | 139.5 | 172 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S217 | G64-S217 PolarHBondContact O-OG 2.86Š| ||
| 65 | H | 88.1 | Confident | 93.6 | Very high | 70 Ų | 70 | 45.6 Ų | 45.6 | 32% | 0.324 | 26% | 0.256 | S | S | . | . | trans | -123.5 | 153.5 | -171.6 | -58 | -62.8 | 0 | 0 | 0 | 111.3 | I100 T166 | H65-I100 WeakPolarHBondContact CB-O 3.38Å; H65-I100 VanDerWaalsContact CG-O 3.24Å; H65-T166 HydrophobicContact CB-CG2 4.13Å; H65-T166 PolarHBondContact ND1-OG1 2.95Å; H65-T166 VanDerWaalsContact ND1-OG1 3.08Å | ||
| 66 | L | 94.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -50.1 | 141.9 | 166.3 | -176.7 | 76.4 | 0 | 0 | 0 | 109.6 | V53 I55 I100 T166 I172 V212 D213 T218 V221 | V53-L66 HydrophobicContact CG2-CD2 4.26Å; I55-L66 HydrophobicContact CD1-CD2 4.45Å; I55-L66 HydrophobicContact CG1-CD2 4.49Å; L66-I100 WeakPolarHBondContact O-CB 3.47Å; L66-I100 WeakPolarHBondContact O-CG1 3.31Å; L66-I100 PolarHBondContact O-N 3.23Å; L66-T166 HydrophobicContact CB-CG2 4.04Å; L66-I172 HydrophobicContact CD2-CB 4.21Å; L66-I172 HydrophobicContact CD2-CD1 4.06Å; L66-I172 HydrophobicContact CD2-CG1 4.23Å; L66-I172 HydrophobicContact CD2-CG2 4.49Å; L66-V212 HydrophobicContact CD1-CG1 3.81Å; L66-D213 VanDerWaalsContact CD1-O 3.28Å; L66-D213 WeakPolarHBondContact CD1-O 3.48Å; L66-T218 HydrophobicContact CD1-CG2 4.01Å; L66-V221 HydrophobicContact CD1-CG1 4.05Å | ||
| 67 | R | 96.6 | Very high | 93.7 | Very high | 33 Ų | 33 | 53.5 Ų | 53.5 | 13% | 0.125 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 142.6 | 170.5 | -42.3 | 169.7 | 173.3 | 157.4 | -12 | 109.4 | S85 V97 F98 A99 D213 | R67-S85 WeakPolarHBondContact CD-OG 3.46Å; R67-V97 HydrophobicContact CB-CG1 3.74Å; R67-F98 CarbonylContact C-O 3.43Å; R67-F98 WeakPolarHBondContact CA-O 3.34Å; R67-F98 WeakPolarHBondContact CB-O 3.3Å; R67-A99 HydrophobicContact CG-CB 4.14Å; R67-D213 HydrophobicContact CB-CB 3.91Å; R67-D213 HydrophobicContact CG-CB 4.37Å; R67-D213 PolarHBondContact N-O 3.21Å; R67-D213 IonicContact NH1-OD2 3.34Å; R67-D213 PolarHBondContact NH1-OD2 3.01Å; R67-D213 VanDerWaalsContact NH1-OD2 3.14Å; R67-D213 PolarHBondContact O-N 3.18Å |
| 68 | I | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 153 | -178.9 | -159.6 | 170.5 | 0 | 0 | 0 | 110 | V53 F98 I100 I172 V174 I188 V211 V212 | V53-I68 HydrophobicContact CG2-CD1 4.38Å; I68-F98 PolarHBondContact N-O 3.3Å; I68-F98 PolarHBondContact O-N 2.74Å; I68-I100 HydrophobicContact CG2-CD1 3.64Å; I68-I100 HydrophobicContact CG2-CG1 4.24Å; I68-I172 HydrophobicContact CB-CG2 4.43Å; I68-I172 HydrophobicContact CD1-CG2 3.93Å; I68-I172 HydrophobicContact CG2-CG2 3.88Å; I68-V174 HydrophobicContact CD1-CB 4.07Å; I68-V174 HydrophobicContact CD1-CG1 3.93Å; I68-V174 HydrophobicContact CG1-CB 4.07Å; I68-V174 HydrophobicContact CG1-CG1 3.89Å; I68-I188 HydrophobicContact CG2-CD1 4.1Å; I68-I188 HydrophobicContact CG2-CG1 4.27Å; I68-I188 HydrophobicContact CG2-CG2 4.34Å; I68-V211 CarbonylContact C-O 3.4Å; I68-V211 VanDerWaalsContact CA-O 3.28Å; I68-V211 WeakPolarHBondContact CA-O 3.34Å; I68-V211 WeakPolarHBondContact CG1-O 3.47Å; I68-V212 HydrophobicContact CD1-CG2 4.3Å; I68-V212 HydrophobicContact CG1-CG2 4.14Å |
| 69 | G | 97.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.5 | -163 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | W96 V211 | G69-W96 CarbonylContact C-O 3.56Å; G69-W96 WeakPolarHBondContact CA-O 3.23Å; G69-V211 PolarHBondContact N-O 3.15Å; G69-V211 PolarHBondContact O-N 3.42Å |
| 70 | L | 98.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 153.1 | 174.5 | -61.7 | 176.7 | 0 | 0 | 0 | 110.7 | L45 T95 W96 V174 Y176 M186 L202 L208 Y209 | L45-L70 HydrophobicContact CD1-CD2 3.7Å; L70-T95 WeakPolarHBondContact O-CA 3.18Å; L70-W96 PolarHBondContact N-O 3.12Å; L70-W96 PolarHBondContact O-N 2.67Å; L70-V174 HydrophobicContact CD1-CG2 4.43Å; L70-V174 HydrophobicContact CD2-CG1 4.12Å; L70-V174 HydrophobicContact CD2-CG2 3.94Å; L70-V174 HydrophobicContact CG-CG2 3.82Å; L70-Y176 HydrophobicContact CD1-CD1 3.97Å; L70-Y176 HydrophobicContact CD1-CG 4.29Å; L70-M186 HydrophobicContact CB-SD 3.88Å; L70-M186 HydrophobicContact CD1-CB 4.17Å; L70-M186 HydrophobicContact CD1-CG 3.63Å; L70-M186 HydrophobicContact CD1-SD 3.86Å; L70-M186 HydrophobicContact CG-CG 3.96Å; L70-M186 HydrophobicContact CG-SD 3.59Å; L70-M186 VanDerWaalsContact CG-SD 3.59Å; L70-L202 HydrophobicContact CB-CD2 4.38Å; L70-L202 HydrophobicContact CD1-CD2 3.86Å; L70-L208 HydrophobicContact CD1-CD1 4.34Å; L70-Y209 CarbonylContact C-O 3.52Å; L70-Y209 VanDerWaalsContact CA-O 3.25Å; L70-Y209 WeakPolarHBondContact CA-O 3.49Å |
| 71 | T | 98.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 145.1 | 170.8 | -173.9 | 0 | 0 | 0 | 0 | 110.6 | F40 H73 D94 T95 L208 Y209 V211 | F40-T71 HydrophobicContact CD1-CG2 4.2Å; F40-T71 HydrophobicContact CE1-CG2 4.29Å; T71-H73 VanDerWaalsContact C-N 3.33Å; T71-H73 PolarHBondContact OG1-CD2 2.74Å; T71-H73 PolarHBondContact OG1-N 2.79Å; T71-D94 WeakPolarHBondContact CA-O 3.4Å; T71-T95 WeakPolarHBondContact CB-OG1 3.43Å; T71-T95 PolarHBondContact OG1-OG1 2.83Å; T71-L208 CarbonylContact O-C 3.53Å; T71-L208 WeakPolarHBondContact O-CA 3.4Å; T71-Y209 PolarHBondContact N-O 3.23Å; T71-Y209 PolarHBondContact O-N 2.9Å; T71-V211 HydrophobicContact CG2-CG2 3.43Å; T71-V211 VanDerWaalsContact CG2-CG2 3.43Å |
| 72 | A | 97.5 | Very high | 94.6 | Very high | 13 Ų | 13 | 49.8 Ų | 49.8 | 11% | 0.107 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -90.9 | 2.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113 | D94 R206 P207 L208 | A72-D94 HydrophobicContact CB-CB 3.96Å; A72-D94 PolarHBondContact N-O 2.8Å; A72-R206 HydrophobicContact CB-CB 4.37Å; A72-P207 WeakPolarHBondContact CA-O 3.34Å; A72-L208 HydrophobicContact CB-CD2 3.87Å |
| 73 | H | 97 | Very high | 94.9 | Very high | 46 Ų | 46 | 49.3 Ų | 49.3 | 21% | 0.213 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -80.9 | 131.1 | 172.8 | -65.2 | -68.5 | 0 | 0 | 0 | 110.1 | T71 P75 L92 G93 Y209 | T71-H73 VanDerWaalsContact C-N 3.33Å; T71-H73 PolarHBondContact OG1-CD2 2.74Å; T71-H73 PolarHBondContact OG1-N 2.79Å; H73-P75 WeakPolarHBondContact O-CD 3.35Å; H73-L92 PolarHBondContact NE2-O 3.45Å; H73-G93 PolarHBondContact CD2-O 2.83Å; H73-G93 PolarHBondContact NE2-O 2.87Å; H73-Y209 WeakPolarHBondContact O-CD2 3.5Å |
| 74 | D | 97.3 | Very high | 95.4 | Very high | 65 Ų | 65 | 45.7 Ų | 45.7 | 35% | 0.348 | 24% | 0.241 | S | C | . | . | trans | -69.5 | 121.1 | 171.9 | -179 | -15.5 | 0 | 0 | 0 | 109.1 | Q76 S77 Y209 | D74-Q76 PolarHBondContact O-N 2.9Å; D74-Q76 VanDerWaalsContact O-N 3.12Å; D74-Q76 VanDerWaalsContact OD1-CB 3.3Å; D74-Q76 WeakPolarHBondContact OD1-CB 3.28Å; D74-Q76 PolarHBondContact OD1-N 2.86Å; D74-S77 WeakPolarHBondContact O-CB 3.5Å; D74-S77 PolarHBondContact O-N 3.12Å; D74-S77 PolarHBondContact O-OG 2.86Å; D74-Y209 HydrophobicContact CB-CE2 4.27Å | ||
| 75 | P | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -53.7 | -32.1 | 178 | -26.9 | 35.6 | 0 | 0 | 0 | 113.6 | H12 V14 F40 H73 S77 L78 Y209 | H12-P75 HydrophobicContact CB-CB 4.4Å; V14-P75 HydrophobicContact CB-CB 4.43Å; V14-P75 WeakPolarHBondContact CG1-O 3.44Å; F40-P75 HydrophobicContact CB-CB 3.96Å; F40-P75 HydrophobicContact CB-CG 3.47Å; F40-P75 VanDerWaalsContact CB-CG 3.47Å; F40-P75 HydrophobicContact CD1-CG 4.15Å; F40-P75 HydrophobicContact CD2-CB 4.02Å; F40-P75 HydrophobicContact CD2-CG 4.31Å; F40-P75 HydrophobicContact CG-CB 3.96Å; F40-P75 HydrophobicContact CG-CG 3.73Å; H73-P75 WeakPolarHBondContact O-CD 3.35Å; P75-S77 PolarHBondContact O-N 2.94Å; P75-L78 PolarHBondContact O-N 2.65Å; P75-Y209 HydrophobicContact CG-CD1 3.88Å; P75-Y209 HydrophobicContact CG-CE1 4.29Å; P75-Y209 HydrophobicContact CG-CG 4.02Å |
| 76 | Q | 97.2 | Very high | 96 | Very high | 111 Ų | 111 | 43.9 Ų | 43.9 | 52% | 0.519 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -68.4 | -24.2 | 178 | -171 | 62.5 | 69.6 | 0 | 0 | 113 | H13 D74 | H13-Q76 PolarHBondContact CE1-OE1 3.16Å; H13-Q76 PolarHBondContact NE2-OE1 3.3Å; D74-Q76 PolarHBondContact O-N 2.9Å; D74-Q76 VanDerWaalsContact O-N 3.12Å; D74-Q76 VanDerWaalsContact OD1-CB 3.3Å; D74-Q76 WeakPolarHBondContact OD1-CB 3.28Å; D74-Q76 PolarHBondContact OD1-N 2.86Å |
| 77 | S | 95.6 | Very high | 96 | Very high | 78 Ų | 78 | 47.3 Ų | 47.3 | 55% | 0.545 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -86.3 | -8.6 | -178.3 | 73.8 | 0 | 0 | 0 | 0 | 113.9 | D74 P75 E79 | D74-S77 WeakPolarHBondContact O-CB 3.5Å; D74-S77 PolarHBondContact O-N 3.12Å; D74-S77 PolarHBondContact O-OG 2.86Å; P75-S77 PolarHBondContact O-N 2.94Å; S77-E79 PolarHBondContact O-N 3.5Å |
| 78 | L | 94 | Very high | 96 | Very high | 29 Ų | 29 | 48.4 Ų | 48.4 | 15% | 0.152 | 26% | 0.259 | C | S | . | . | trans | -75 | 113.2 | 177.1 | -62.9 | 175.3 | 0 | 0 | 0 | 110.2 | F40 P75 V80 | F40-L78 HydrophobicContact CE1-CD1 4.34Å; F40-L78 HydrophobicContact CE2-CD1 3.9Å; F40-L78 HydrophobicContact CZ-CD1 3.65Å; P75-L78 PolarHBondContact O-N 2.65Å; L78-V80 VanDerWaalsContact C-N 3.31Å | ||
| 79 | E | 91.1 | Very high | 95.9 | Very high | 199 Ų | 199 | 48.4 Ų | 48.4 | 93% | 0.93 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -62.1 | -41.7 | 172.2 | -66.5 | -174.2 | 172.7 | 0 | 0 | 111.7 | S77 | S77-E79 PolarHBondContact O-N 3.5Š|
| 80 | V | 93.9 | Very high | 95.8 | Very high | 119 Ų | 119 | 50.6 Ų | 50.6 | 72% | 0.721 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -137.9 | 129.6 | 177 | -178.4 | 0 | 0 | 0 | 0 | 108.4 | L78 P82 | L78-V80 VanDerWaalsContact C-N 3.31Å; V80-P82 WeakPolarHBondContact O-CD 3.45Å |
| 81 | V | 97.1 | Very high | 95.7 | Very high | 19 Ų | 19 | 56.4 Ų | 56.4 | 12% | 0.115 | 30% | 0.303 | C | S | . | . | trans | -72.4 | 126.2 | 172.3 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | V14 L38 F40 | V14-V81 HydrophobicContact CG1-CG2 3.42Å; V14-V81 VanDerWaalsContact CG1-CG2 3.42Å; L38-V81 HydrophobicContact CB-CG1 3.64Å; L38-V81 HydrophobicContact CD1-CG1 3.92Å; L38-V81 HydrophobicContact CG-CG1 4.44Å; F40-V81 HydrophobicContact CE2-CG1 4.06Å; F40-V81 HydrophobicContact CE2-CG2 4.32Å; F40-V81 HydrophobicContact CZ-CG1 4.35Å | ||
| 82 | P | 96.4 | Very high | 95.5 | Very high | 19 Ų | 19 | 60.8 Ų | 60.8 | 12% | 0.123 | 33% | 0.326 | C | S | . | . | trans | -58.5 | 158.2 | -180 | -25.4 | 34.6 | 0 | 0 | 0 | 113.7 | L38 V80 D88 L89 L92 | L38-P82 HydrophobicContact CD1-CB 4.17Å; L38-P82 WeakPolarHBondContact CD1-O 3.49Å; V80-P82 WeakPolarHBondContact O-CD 3.45Å; P82-D88 HydrophobicContact CB-CB 3.77Å; P82-L89 HydrophobicContact CG-CB 4.27Å; P82-L89 HydrophobicContact CG-CD1 4.03Å; P82-L92 HydrophobicContact CG-CD1 4.13Å | ||
| 83 | E | 94.4 | Very high | 95.3 | Very high | 83 Ų | 83 | 61.6 Ų | 61.6 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -69.5 | -40.5 | 179.6 | -177.4 | 176 | 172.3 | 0 | 0 | 111.9 | A35 N36 | A35-E83 HydrophobicContact CB-CG 4.02Å; N36-E83 WeakPolarHBondContact CA-O 3.44Å; N36-E83 PolarHBondContact N-O 3.21Å; N36-E83 WeakPolarHBondContact OD1-CA 3.45Å |
| 84 | Y | 94.9 | Very high | 95.3 | Very high | 50 Ų | 50 | 62.3 Ų | 62.3 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | trans | -125.1 | 145 | 179.9 | -55.8 | -79.1 | 0 | 0 | 0 | 112.2 | F34 A35 L86 D88 L89 F215 | F34-Y84 HydrophobicContact CE2-CE1 4.07Å; A35-Y84 HydrophobicContact CB-CD1 4.12Å; A35-Y84 HydrophobicContact CB-CE1 3.32Å; A35-Y84 WeakPolarHBondContact CB-OH 3.13Å; Y84-L86 VanDerWaalsContact CB-O 3.3Å; Y84-L86 WeakPolarHBondContact CB-O 3.33Å; Y84-L86 PolarHBondContact O-N 3.28Å; Y84-D88 WeakPolarHBondContact CD2-OD2 3.5Å; Y84-D88 PolarHBondContact N-OD2 2.76Å; Y84-D88 VanDerWaalsContact N-OD2 3.12Å; Y84-D88 WeakPolarHBondContact O-CB 3.19Å; Y84-L89 PolarHBondContact O-N 3.01Å; Y84-F215 HydrophobicContact CD1-CD2 4.45Å; Y84-F215 AromaticContact CD1-CE2 3.92Å; Y84-F215 HydrophobicContact CD1-CE2 3.92Å; Y84-F215 AromaticContact CE1-CE2 3.89Å; Y84-F215 HydrophobicContact CE1-CE2 3.89Å | ||
| 85 | S | 95.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | I | π-helix | trans | -65.5 | -31.6 | 167.5 | 78.7 | 0 | 0 | 0 | 0 | 112.1 | R67 V90 V97 D213 | R67-S85 WeakPolarHBondContact CD-OG 3.46Å; S85-V90 PolarHBondContact O-N 2.83Å; S85-V97 WeakPolarHBondContact OG-CG1 3.27Å; S85-D213 WeakPolarHBondContact CB-OD2 2.83Å; S85-D213 PolarHBondContact N-OD2 3.24Å; S85-D213 PolarHBondContact OG-OD2 3.17Å |
| 86 | L | 93.4 | Very high | 95.3 | Very high | 57 Ų | 57 | 62.2 Ų | 62.2 | 30% | 0.298 | 34% | 0.336 | S | S | . | . | I | π-helix | trans | -129.6 | 122.1 | 179.7 | -67.3 | 173.6 | 0 | 0 | 0 | 109.3 | Y84 V90 | Y84-L86 VanDerWaalsContact CB-O 3.3Å; Y84-L86 WeakPolarHBondContact CB-O 3.33Å; Y84-L86 PolarHBondContact O-N 3.28Å; L86-V90 HydrophobicContact CD2-CB 4.1Å; L86-V90 HydrophobicContact CD2-CG2 3.5Å; L86-V90 VanDerWaalsContact CD2-CG2 3.5Å |
| 87 | P | 94.4 | Very high | 95.2 | Very high | 72 Ų | 72 | 57.2 Ų | 57.2 | 47% | 0.468 | 31% | 0.314 | S | S | . | . | I | π-helix | cis | -88.7 | -14.8 | 1.5 | 37 | -35.6 | 0 | 0 | 0 | 114.1 | L89 V90 N91 | P87-L89 PolarHBondContact O-N 3.36Å; P87-V90 PolarHBondContact O-N 3.36Å; P87-N91 WeakPolarHBondContact O-CB 3.16Å; P87-N91 VanDerWaalsContact O-CG 3.23Å; P87-N91 PolarHBondContact O-N 3.45Å |
| 88 | D | 96.4 | Very high | 95.2 | Very high | 56 Ų | 56 | 56.1 Ų | 56.1 | 30% | 0.299 | 30% | 0.299 | S | S | . | . | I | π-helix | trans | -59.2 | -54.7 | -159.9 | -44.3 | -28.5 | 0 | 0 | 0 | 114.1 | P82 Y84 V90 N91 L92 | P82-D88 HydrophobicContact CB-CB 3.77Å; Y84-D88 WeakPolarHBondContact CD2-OD2 3.5Å; Y84-D88 PolarHBondContact N-OD2 2.76Å; Y84-D88 VanDerWaalsContact N-OD2 3.12Å; Y84-D88 WeakPolarHBondContact O-CB 3.19Å; D88-V90 VanDerWaalsContact C-N 3.33Å; D88-V90 PolarHBondContact O-N 2.87Å; D88-N91 PolarHBondContact O-N 2.86Å; D88-L92 PolarHBondContact O-N 3.2Å |
| 89 | L | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -63.8 | -38.9 | 179.5 | -174.9 | 69.2 | 0 | 0 | 0 | 111.9 | L38 F40 P82 Y84 P87 N91 L92 T95 V211 | L38-L89 HydrophobicContact CD1-CB 4.31Å; L38-L89 HydrophobicContact CD1-CD2 4.16Å; L38-L89 HydrophobicContact CD2-CD2 3.94Å; F40-L89 HydrophobicContact CE1-CD2 4.14Å; P82-L89 HydrophobicContact CG-CB 4.27Å; P82-L89 HydrophobicContact CG-CD1 4.03Å; Y84-L89 PolarHBondContact O-N 3.01Å; P87-L89 PolarHBondContact O-N 3.36Å; L89-N91 VanDerWaalsContact C-N 3.32Å; L89-N91 PolarHBondContact O-N 2.85Å; L89-L92 HydrophobicContact CD1-CD1 4.15Å; L89-L92 WeakPolarHBondContact O-CB 3.39Å; L89-L92 PolarHBondContact O-N 2.91Å; L89-T95 HydrophobicContact CD2-CG2 3.8Å; L89-T95 HydrophobicContact CG-CG2 3.8Å; L89-V211 HydrophobicContact CD2-CG1 3.77Å; L89-V211 HydrophobicContact CD2-CG2 4.22Å |
| 90 | V | 96.2 | Very high | 95.2 | Very high | 46 Ų | 46 | 46.9 Ų | 46.9 | 28% | 0.279 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.7 | -35.4 | 176 | 168.5 | 0 | 0 | 0 | 0 | 112.1 | S85 L86 P87 D88 L92 G93 T95 V97 | S85-V90 PolarHBondContact O-N 2.83Å; L86-V90 HydrophobicContact CD2-CB 4.1Å; L86-V90 HydrophobicContact CD2-CG2 3.5Å; L86-V90 VanDerWaalsContact CD2-CG2 3.5Å; P87-V90 PolarHBondContact O-N 3.36Å; D88-V90 VanDerWaalsContact C-N 3.33Å; D88-V90 PolarHBondContact O-N 2.87Å; V90-L92 PolarHBondContact O-N 2.83Å; V90-G93 WeakPolarHBondContact O-CA 3.48Å; V90-G93 PolarHBondContact O-N 3.49Å; V90-T95 HydrophobicContact CG2-CG2 4.12Å; V90-V97 HydrophobicContact CG2-CB 4.4Å |
| 91 | N | 96.3 | Very high | 94.8 | Very high | 122 Ų | 122 | 43 Ų | 43 | 65% | 0.652 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -67.9 | -18.3 | 177.2 | -74.1 | -11.2 | 0 | 0 | 0 | 113.2 | P87 D88 L89 G93 | P87-N91 WeakPolarHBondContact O-CB 3.16Å; P87-N91 VanDerWaalsContact O-CG 3.23Å; P87-N91 PolarHBondContact O-N 3.45Å; D88-N91 PolarHBondContact O-N 2.86Å; L89-N91 VanDerWaalsContact C-N 3.32Å; L89-N91 PolarHBondContact O-N 2.85Å; N91-G93 PolarHBondContact O-N 3.34Å |
| 92 | L | 93.3 | Very high | 93.4 | Very high | 93 Ų | 93 | 47.9 Ų | 47.9 | 49% | 0.487 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -7.1 | 168.7 | -56.7 | -174.9 | 0 | 0 | 0 | 112.6 | H73 P82 D88 L89 V90 | H73-L92 PolarHBondContact NE2-O 3.45Å; P82-L92 HydrophobicContact CG-CD1 4.13Å; D88-L92 PolarHBondContact O-N 3.2Å; L89-L92 HydrophobicContact CD1-CD1 4.15Å; L89-L92 WeakPolarHBondContact O-CB 3.39Å; L89-L92 PolarHBondContact O-N 2.91Å; V90-L92 PolarHBondContact O-N 2.83Å |
| 93 | G | 94.2 | Very high | 91.8 | Very high | 30 Ų | 30 | 53.4 Ų | 53.4 | 31% | 0.309 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 80.1 | 170.7 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | H73 V90 N91 T95 | H73-G93 PolarHBondContact CD2-O 2.83Å; H73-G93 PolarHBondContact NE2-O 2.87Å; V90-G93 WeakPolarHBondContact O-CA 3.48Å; V90-G93 PolarHBondContact O-N 3.49Å; N91-G93 PolarHBondContact O-N 3.34Å; G93-T95 PolarHBondContact O-N 2.9Å; G93-T95 PolarHBondContact O-OG1 3Å; G93-T95 VanDerWaalsContact O-OG1 3.12Å |
| 94 | D | 95.6 | Very high | 90 | Very high | 60 Ų | 60 | 54.6 Ų | 54.6 | 32% | 0.321 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 49.6 | 33.7 | 173.1 | -59.9 | -47 | 0 | 0 | 0 | 115.1 | T71 A72 W96 R206 | T71-D94 WeakPolarHBondContact CA-O 3.4Å; A72-D94 HydrophobicContact CB-CB 3.96Å; A72-D94 PolarHBondContact N-O 2.8Å; D94-W96 VanDerWaalsContact C-CZ3 3.43Å; D94-W96 HydrophobicContact CB-CH2 4.2Å; D94-W96 WeakPolarHBondContact O-CZ3 3.35Å; D94-R206 IonicContact OD1-CZ 3.73Å; D94-R206 IonicContact OD1-NH2 2.89Å; D94-R206 PolarHBondContact OD1-NH2 3.16Å; D94-R206 IonicContact OD2-CZ 3.44Å; D94-R206 IonicContact OD2-NH1 2.68Å; D94-R206 PolarHBondContact OD2-NH1 2.87Å; D94-R206 IonicContact OD2-NH2 3.29Å; D94-R206 PolarHBondContact OD2-NH2 2.91Å |
| 95 | T | 97.6 | Very high | 88.2 | Confident | 8 Ų | 8 | 53.5 Ų | 53.5 | 5% | 0.049 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 132.6 | -179.8 | -58 | 0 | 0 | 0 | 0 | 109.9 | L70 T71 L89 V90 G93 V97 | L70-T95 WeakPolarHBondContact O-CA 3.18Å; T71-T95 WeakPolarHBondContact CB-OG1 3.43Å; T71-T95 PolarHBondContact OG1-OG1 2.83Å; L89-T95 HydrophobicContact CD2-CG2 3.8Å; L89-T95 HydrophobicContact CG-CG2 3.8Å; V90-T95 HydrophobicContact CG2-CG2 4.12Å; G93-T95 PolarHBondContact O-N 2.9Å; G93-T95 PolarHBondContact O-OG1 3Å; G93-T95 VanDerWaalsContact O-OG1 3.12Å; T95-V97 HydrophobicContact CG2-CG2 3.73Å |
| 96 | W | 96.9 | Very high | 86.3 | Confident | 55 Ų | 55 | 58.6 Ų | 58.6 | 21% | 0.208 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 93.5 | -175.6 | -56.2 | -90.7 | 0 | 0 | 0 | 108.7 | G69 L70 D94 F98 M186 A199 L202 P203 L208 | G69-W96 CarbonylContact C-O 3.56Å; G69-W96 WeakPolarHBondContact CA-O 3.23Å; L70-W96 PolarHBondContact N-O 3.12Å; L70-W96 PolarHBondContact O-N 2.67Å; D94-W96 VanDerWaalsContact C-CZ3 3.43Å; D94-W96 HydrophobicContact CB-CH2 4.2Å; D94-W96 WeakPolarHBondContact O-CZ3 3.35Å; W96-F98 HydrophobicContact CB-CE2 4.37Å; W96-M186 HydrophobicContact CB-CE 4.07Å; W96-M186 HydrophobicContact CB-SD 4.12Å; W96-A199 HydrophobicContact CB-CB 3.97Å; W96-A199 HydrophobicContact CG-CB 3.95Å; W96-L202 HydrophobicContact CD2-CD1 4.05Å; W96-L202 HydrophobicContact CD2-CD2 4.03Å; W96-L202 HydrophobicContact CD2-CG 3.73Å; W96-L202 HydrophobicContact CE3-CD2 3.75Å; W96-L202 HydrophobicContact CE3-CG 3.77Å; W96-L202 HydrophobicContact CG-CD1 4.23Å; W96-L202 HydrophobicContact CG-CG 4.37Å; W96-L202 HydrophobicContact CH2-CG 4.1Å; W96-L202 HydrophobicContact CZ2-CG 4.02Å; W96-L202 HydrophobicContact CZ3-CD2 4.15Å; W96-L202 HydrophobicContact CZ3-CG 3.96Å; W96-P203 HydrophobicContact CH2-CG 3.9Å; W96-L208 HydrophobicContact CZ3-CD2 4.06Å |
| 97 | V | 96.7 | Very high | 84.5 | Confident | 7 Ų | 7 | 59.5 Ų | 59.5 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 138.8 | -177.7 | 176.2 | 0 | 0 | 0 | 0 | 110.4 | R67 S85 V90 T95 V211 | R67-V97 HydrophobicContact CB-CG1 3.74Å; S85-V97 WeakPolarHBondContact OG-CG1 3.27Å; V90-V97 HydrophobicContact CG2-CB 4.4Å; T95-V97 HydrophobicContact CG2-CG2 3.73Å; V97-V211 HydrophobicContact CG2-CB 3.94Å; V97-V211 HydrophobicContact CG2-CG1 3.89Å; V97-V211 HydrophobicContact CG2-CG2 4.38Å |
| 98 | F | 94.8 | Very high | 82.5 | Confident | 54 Ų | 54 | 59.1 Ų | 59.1 | 24% | 0.237 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 144.7 | -178.3 | -61.4 | -92.4 | 0 | 0 | 0 | 112 | R67 I68 W96 N105 M186 I188 S198 A199 | R67-F98 CarbonylContact C-O 3.43Å; R67-F98 WeakPolarHBondContact CA-O 3.34Å; R67-F98 WeakPolarHBondContact CB-O 3.3Å; I68-F98 PolarHBondContact N-O 3.3Å; I68-F98 PolarHBondContact O-N 2.74Å; W96-F98 HydrophobicContact CB-CE2 4.37Å; F98-N105 WeakPolarHBondContact CB-ND2 3.36Å; F98-N105 HydrophobicContact CD1-CB 4.04Å; F98-N105 WeakPolarHBondContact CD1-OD1 3.38Å; F98-N105 HydrophobicContact CE1-CB 4.34Å; F98-N105 HydrophobicContact CG-CB 4.38Å; F98-N105 WeakPolarHBondContact CG-ND2 3.32Å; F98-M186 HydrophobicContact CD2-CE 3.54Å; F98-M186 HydrophobicContact CE2-CE 3.35Å; F98-I188 HydrophobicContact CB-CD1 4.09Å; F98-I188 HydrophobicContact CD2-CD1 4.22Å; F98-I188 HydrophobicContact CG-CD1 4.45Å; F98-S198 WeakPolarHBondContact CZ-O 3.34Å; F98-A199 HydrophobicContact CE2-CB 4.23Å; F98-A199 HydrophobicContact CZ-CB 4.41Å |
| 99 | A | 93.9 | Very high | 80.3 | Confident | 33 Ų | 33 | 61.1 Ų | 61.1 | 27% | 0.273 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 134.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | R67 T101 | R67-A99 HydrophobicContact CG-CB 4.14Å; A99-T101 PolarHBondContact O-N 3.19Å |
| 100 | I | 92.1 | Very high | 77.8 | Confident | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | trans | -79.4 | 106.8 | 179.8 | -59.3 | -55 | 0 | 0 | 0 | 110 | H65 L66 I68 P165 T166 I172 I188 I190 | H65-I100 WeakPolarHBondContact CB-O 3.38Å; H65-I100 VanDerWaalsContact CG-O 3.24Å; L66-I100 WeakPolarHBondContact O-CB 3.47Å; L66-I100 WeakPolarHBondContact O-CG1 3.31Å; L66-I100 PolarHBondContact O-N 3.23Å; I68-I100 HydrophobicContact CG2-CD1 3.64Å; I68-I100 HydrophobicContact CG2-CG1 4.24Å; I100-P165 HydrophobicContact CG2-CB 3.97Å; I100-T166 HydrophobicContact CB-CG2 3.58Å; I100-T166 HydrophobicContact CG2-CG2 3.54Å; I100-I172 HydrophobicContact CD1-CG2 3.85Å; I100-I172 HydrophobicContact CG1-CG2 3.91Å; I100-I172 HydrophobicContact CG2-CG1 4.43Å; I100-I188 HydrophobicContact CD1-CD1 4.35Å; I100-I188 HydrophobicContact CD1-CG2 3.8Å; I100-I190 HydrophobicContact CG2-CD1 3.75Å; I100-I190 HydrophobicContact CG2-CG1 4.45Å | ||
| 101 | T | 85.7 | Confident | 75.5 | Confident | 37 Ų | 37 | 71.6 Ų | 71.6 | 23% | 0.227 | 40% | 0.396 | C | S | . | . | trans | -125.1 | 172.7 | 178.7 | 70 | 0 | 0 | 0 | 0 | 110.8 | A99 N103 H104 | A99-T101 PolarHBondContact O-N 3.19Å; T101-N103 VanDerWaalsContact C-N 3.3Å; T101-N103 PolarHBondContact O-N 2.98Å; T101-H104 PolarHBondContact OG1-ND1 3.24Å | ||
| 102 | R | 66.8 | Low | 73 | Confident | 121 Ų | 121 | 72.7 Ų | 72.7 | 46% | 0.457 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -24.4 | -178 | -174.3 | 176.8 | -77.2 | 170.2 | -6 | 113.9 | N161 L163 P165 | R102-N161 WeakPolarHBondContact CD-OD1 3.25Å; R102-N161 VanDerWaalsContact CZ-CB 3.44Å; R102-N161 VanDerWaalsContact CZ-OD1 3.29Å; R102-N161 PolarHBondContact NE-OD1 3.49Å; R102-N161 VanDerWaalsContact NH2-C 3.3Å; R102-N161 PolarHBondContact NH2-O 3.2Å; R102-L163 PolarHBondContact NH2-O 2.91Å; R102-P165 HydrophobicContact CB-CG 4.24Å |
| 103 | N | 63.1 | Low | 70.5 | Confident | 136 Ų | 136 | 76.9 Ų | 76.9 | 73% | 0.727 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.9 | 6.4 | -167.7 | -70.2 | -1.8 | 0 | 0 | 0 | 115.1 | T101 | T101-N103 VanDerWaalsContact C-N 3.3Å; T101-N103 PolarHBondContact O-N 2.98Å |
| 104 | H | 57.3 | Low | 68 | Low | 108 Ų | 108 | 79.1 Ų | 79.1 | 50% | 0.5 | 43% | 0.43 | S | S | . | . | trans | -137.7 | 148.9 | -167.2 | -57.7 | 93.9 | 0 | 0 | 0 | 111.7 | T101 | T101-H104 PolarHBondContact OG1-ND1 3.24Š| ||
| 105 | N | 56.3 | Low | 65.3 | Low | 26 Ų | 26 | 86.9 Ų | 86.9 | 14% | 0.139 | 46% | 0.455 | C | S | . | . | cis | -141.3 | 65.6 | 29.8 | -54.4 | -73.3 | 0 | 0 | 0 | 111.8 | F98 I107 S198 | F98-N105 WeakPolarHBondContact CB-ND2 3.36Å; F98-N105 HydrophobicContact CD1-CB 4.04Å; F98-N105 WeakPolarHBondContact CD1-OD1 3.38Å; F98-N105 HydrophobicContact CE1-CB 4.34Å; F98-N105 HydrophobicContact CG-CB 4.38Å; F98-N105 WeakPolarHBondContact CG-ND2 3.32Å; N105-I107 PolarHBondContact O-N 2.72Å; N105-S198 VanDerWaalsContact O-CA 3.22Å; N105-S198 WeakPolarHBondContact O-CA 3.46Å | ||
| 106 | R | 55.3 | Low | 62.6 | Low | 108 Ų | 108 | 90.5 Ų | 90.5 | 41% | 0.408 | 49% | 0.485 | S | S | . | . | trans | -73.2 | 120 | 170.8 | -78.9 | -173.3 | -173.9 | 168.1 | 2.9 | 109.4 | A108 R115 M195 | R106-A108 PolarHBondContact O-N 2.95Å; R106-R115 PolarHBondContact NH1-O 3.08Å; R106-M195 WeakPolarHBondContact CD-O 3.37Å; R106-M195 WeakPolarHBondContact CG-O 3.31Å; R106-M195 PolarHBondContact NE-O 3.35Å | ||
| 107 | I | 56.3 | Low | 60 | Low | 75 Ų | 75 | 91.3 Ų | 91.3 | 39% | 0.385 | 50% | 0.498 | S | S | . | . | trans | -68.6 | 103.4 | 160.9 | -62.5 | 175.9 | 0 | 0 | 0 | 106.3 | N105 P197 S198 R200 | N105-I107 PolarHBondContact O-N 2.72Å; I107-P197 PolarHBondContact N-O 3.23Å; I107-P197 VanDerWaalsContact N-O 3.11Å; I107-S198 WeakPolarHBondContact CD1-O 3.21Å; I107-R200 HydrophobicContact CD1-CG 4.24Å | ||
| 108 | A | 51.2 | Low | 57.1 | Low | 65 Ų | 65 | 95.5 Ų | 95.5 | 54% | 0.537 | 53% | 0.533 | S | S | . | . | trans | -66.8 | 130.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | R106 | R106-A108 PolarHBondContact O-N 2.95Š| ||
| 109 | L | 51.3 | Low | 54.6 | Low | 98 Ų | 98 | 103.5 Ų | 103.5 | 51% | 0.513 | 56% | 0.562 | S | S | . | * | trans | -70 | 139.9 | 163.3 | -65.5 | 170.2 | 0 | 0 | 0 | 107 | G111 E112 | L109-G111 PolarHBondContact O-N 3.11Å; L109-E112 PolarHBondContact O-N 2.77Å | ||
| 110 | D | 43.8 | Very low | 51.9 | Low | 180 Ų | 180 | 108.4 Ų | 108.4 | 96% | 0.963 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.3 | 111.5 | 173.7 | -72.9 | -37.4 | 0 | 0 | 0 | 109.7 | ||
| 111 | G | 47.7 | Very low | 49.2 | Very low | 85 Ų | 85 | 117.6 Ų | 117.6 | 88% | 0.876 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 104.4 | -5.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | L109 | L109-G111 PolarHBondContact O-N 3.11Š|
| 112 | E | 43.8 | Very low | 47.1 | Very low | 145 Ų | 145 | 118 Ų | 118 | 68% | 0.678 | 64% | 0.642 | S | S | * | * | trans | -107.5 | 103.2 | 170.3 | -71.2 | -163.8 | 155.3 | 0 | 0 | 110.7 | L109 A114 | L109-E112 PolarHBondContact O-N 2.77Å; E112-A114 PolarHBondContact O-N 2.83Å | ||
| 113 | E | 39.3 | Very low | 45.9 | Very low | 182 Ų | 182 | 117.7 Ų | 117.7 | 85% | 0.85 | 65% | 0.645 | S | S | * | * | trans | -49.1 | 129.4 | 163.4 | -76.9 | -178.3 | 156.4 | 0 | 0 | 108.5 | R115 | E113-R115 VanDerWaalsContact C-N 3.28Å; E113-R115 PolarHBondContact O-N 2.89Å | ||
| 114 | A | 41.5 | Very low | 45.5 | Very low | 76 Ų | 76 | 115.7 Ų | 115.7 | 63% | 0.628 | 63% | 0.633 | S | S | * | * | trans | -53.8 | 90.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | E112 A116 | E112-A114 PolarHBondContact O-N 2.83Å; A114-A116 PolarHBondContact O-N 2.68Å | ||
| 115 | R | 39.5 | Very low | 45.8 | Very low | 224 Ų | 224 | 113 Ų | 113 | 85% | 0.845 | 63% | 0.626 | S | S | * | * | trans | -62.9 | 114 | 174 | -74.9 | -176.8 | 176.2 | -179.9 | 0.8 | 106.4 | R106 E113 | R106-R115 PolarHBondContact NH1-O 3.08Å; E113-R115 VanDerWaalsContact C-N 3.28Å; E113-R115 PolarHBondContact O-N 2.89Å | ||
| 116 | A | 42.1 | Very low | 46.9 | Very low | 83 Ų | 83 | 118 Ų | 118 | 69% | 0.686 | 65% | 0.649 | S | S | * | * | trans | -50.9 | 134.5 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | A114 A118 | A114-A116 PolarHBondContact O-N 2.68Å; A116-A118 PolarHBondContact O-N 2.76Å | ||
| 117 | P | 42.6 | Very low | 48.3 | Very low | 72 Ų | 72 | 114 Ų | 114 | 47% | 0.468 | 64% | 0.637 | S | S | . | * | trans | -54.7 | 133.6 | -177.2 | 21.5 | -30.3 | 0 | 0 | 0 | 109.3 | R119 | P117-R119 PolarHBondContact O-N 2.79Š| ||
| 118 | A | 35.3 | Very low | 49.8 | Very low | 96 Ų | 96 | 111.7 Ų | 111.7 | 79% | 0.793 | 62% | 0.624 | S | S | * | * | trans | -54.7 | 113.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | A116 V120 | A116-A118 PolarHBondContact O-N 2.76Å; A118-V120 PolarHBondContact O-N 2.74Å | ||
| 119 | R | 42.7 | Very low | 51.7 | Low | 222 Ų | 222 | 109 Ų | 109 | 84% | 0.838 | 60% | 0.601 | S | S | * | * | trans | -66 | 102 | 178.9 | -77.1 | 175.7 | 161.1 | 179.5 | -4.9 | 108.5 | P117 Q121 | P117-R119 PolarHBondContact O-N 2.79Å; R119-Q121 VanDerWaalsContact C-N 3.28Å; R119-Q121 PolarHBondContact O-N 2.89Å | ||
| 120 | V | 36 | Very low | 53.6 | Low | 136 Ų | 136 | 110 Ų | 110 | 82% | 0.824 | 61% | 0.606 | S | S | * | * | trans | -71.9 | 93.9 | 164.6 | -176.4 | 0 | 0 | 0 | 0 | 106.9 | A118 G122 | A118-V120 PolarHBondContact O-N 2.74Å; V120-G122 PolarHBondContact O-N 2.93Å | ||
| 121 | Q | 36.2 | Very low | 55.9 | Low | 195 Ų | 195 | 101.5 Ų | 101.5 | 91% | 0.911 | 56% | 0.56 | S | S | * | * | trans | -80.4 | 67.6 | 175.9 | -155.9 | 162 | 10.2 | 0 | 0 | 108.4 | R119 | R119-Q121 VanDerWaalsContact C-N 3.28Å; R119-Q121 PolarHBondContact O-N 2.89Å | ||
| 122 | G | 40.3 | Very low | 57.8 | Low | 45 Ų | 45 | 103 Ų | 103 | 46% | 0.464 | 55% | 0.545 | S | S | . | . | trans | -106.2 | 143.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V120 L124 | V120-G122 PolarHBondContact O-N 2.93Å; G122-L124 PolarHBondContact O-N 3.35Å; G122-L124 VanDerWaalsContact O-N 3.14Å | ||
| 123 | F | 43.1 | Very low | 59.9 | Low | 115 Ų | 115 | 102.2 Ų | 102.2 | 50% | 0.504 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -65.5 | -9.2 | 174.4 | -159.3 | -100.3 | 0 | 0 | 0 | 112.9 | V246 R248 | F123-V246 WeakPolarHBondContact CE1-O 3.28Å; F123-R248 HydrophobicContact CZ-CB 4.03Å |
| 124 | L | 53.4 | Low | 62.3 | Low | 93 Ų | 93 | 94.3 Ų | 94.3 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -108.9 | 107.8 | 176.4 | -61 | 174.7 | 0 | 0 | 0 | 109.1 | G122 E126 Q242 | G122-L124 PolarHBondContact O-N 3.35Å; G122-L124 VanDerWaalsContact O-N 3.14Å; L124-E126 PolarHBondContact O-N 3.09Å; L124-Q242 HydrophobicContact CD2-CB 3.85Å |
| 125 | S | 65.1 | Low | 64.7 | Low | 51 Ų | 51 | 96.8 Ų | 96.8 | 36% | 0.357 | 50% | 0.498 | S | S | . | . | trans | -61.1 | 119.2 | 165.1 | 163 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 126 | E | 78.2 | Confident | 67.1 | Low | 133 Ų | 133 | 86.1 Ų | 86.1 | 62% | 0.621 | 46% | 0.458 | S | S | * | . | trans | -49.8 | 127.9 | 168.4 | -79.4 | -67.3 | 160.8 | 0 | 0 | 109.9 | L124 Y128 R138 | L124-E126 PolarHBondContact O-N 3.09Å; E126-Y128 PolarHBondContact O-N 3.48Å; E126-Y128 VanDerWaalsContact O-N 3.12Å; E126-R138 WeakPolarHBondContact O-CD 3.25Å; E126-R138 PolarHBondContact O-NE 3.49Å | ||
| 127 | P | 84.6 | Confident | 69.4 | Low | 24 Ų | 24 | 82.2 Ų | 82.2 | 16% | 0.156 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -68.6 | -12 | -175.1 | 12.2 | -16.7 | 0 | 0 | 0 | 114 | R138 P231 T235 L239 | P127-R138 PolarHBondContact O-N 3.27Å; P127-P231 HydrophobicContact CB-CG 3.74Å; P127-T235 HydrophobicContact CB-CG2 4.42Å; P127-L239 HydrophobicContact CB-CD1 3.85Å; P127-L239 HydrophobicContact CG-CD1 3.72Å |
| 128 | Y | 88.6 | Confident | 71.5 | Confident | 26 Ų | 26 | 82.8 Ų | 82.8 | 10% | 0.102 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 147.1 | -174.4 | -55.3 | -95 | 0 | 0 | 0 | 111.4 | E126 R135 I136 P137 R138 G229 P231 | E126-Y128 PolarHBondContact O-N 3.48Å; E126-Y128 VanDerWaalsContact O-N 3.12Å; Y128-R135 HydrophobicContact CD1-CG 3.44Å; Y128-R135 VanDerWaalsContact CD1-CG 3.44Å; Y128-R135 HydrophobicContact CE1-CG 4.1Å; Y128-R135 VanDerWaalsContact CE1-CZ 3.46Å; Y128-R135 HydrophobicContact CG-CG 3.68Å; Y128-R135 VanDerWaalsContact CG-NE 3.29Å; Y128-R135 PolarHBondContact OH-NH1 2.84Å; Y128-R135 PolarHBondContact OH-NH2 2.94Å; Y128-I136 CarbonylContact C-O 3.47Å; Y128-I136 VanDerWaalsContact CA-O 3.27Å; Y128-I136 WeakPolarHBondContact CA-O 3.22Å; Y128-P137 HydrophobicContact CD1-CG 4.35Å; Y128-P137 HydrophobicContact CE1-CG 4.31Å; Y128-R138 VanDerWaalsContact C-CG 3.49Å; Y128-R138 PolarHBondContact O-NE 2.68Å; Y128-R138 VanDerWaalsContact O-NE 3.16Å; Y128-G229 PolarHBondContact OH-O 2.85Å; Y128-P231 HydrophobicContact CE1-CG 3.99Å; Y128-P231 HydrophobicContact CE2-CG 3.87Å; Y128-P231 WeakPolarHBondContact OH-CD 3.41Å |
| 129 | L | 90.4 | Very high | 73.8 | Confident | 9 Ų | 9 | 79.3 Ų | 79.3 | 5% | 0.047 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 129.6 | 160.3 | 179.8 | 63.4 | 0 | 0 | 0 | 107.2 | I131 I136 R138 L141 V189 D194 | L129-I131 HydrophobicContact CD2-CD1 3.9Å; L129-I131 HydrophobicContact CD2-CG1 4.17Å; L129-I131 HydrophobicContact CG-CD1 4.32Å; L129-I131 HydrophobicContact CG-CG1 4.03Å; L129-I136 PolarHBondContact N-O 2.72Å; L129-I136 PolarHBondContact O-N 2.88Å; L129-R138 HydrophobicContact CB-CG 4.21Å; L129-L141 HydrophobicContact CB-CD1 3.65Å; L129-L141 HydrophobicContact CD2-CD1 3.46Å; L129-L141 VanDerWaalsContact CD2-CD1 3.46Å; L129-L141 HydrophobicContact CG-CD1 4.2Å; L129-V189 HydrophobicContact CD2-CG1 3.8Å; L129-V189 HydrophobicContact CD2-CG2 4.11Å; L129-D194 HydrophobicContact CD1-CB 4.23Å; L129-D194 HydrophobicContact CD2-CB 4.32Å |
| 130 | L | 92.3 | Very high | 75.8 | Confident | 119 Ų | 119 | 71.3 Ų | 71.3 | 62% | 0.623 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 125.3 | 174.8 | -59 | 179.1 | 0 | 0 | 0 | 108 | V134 R135 | L130-V134 WeakPolarHBondContact CA-O 3.48Å; L130-R135 HydrophobicContact CD2-CB 4.09Å; L130-R135 HydrophobicContact CD2-CG 3.9Å |
| 131 | I | 91 | Very high | 78.3 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 101.2 | 173.6 | -56.1 | 179.8 | 0 | 0 | 0 | 105.8 | L129 Q133 V134 I136 L175 T177 H187 V189 D194 | L129-I131 HydrophobicContact CD2-CD1 3.9Å; L129-I131 HydrophobicContact CD2-CG1 4.17Å; L129-I131 HydrophobicContact CG-CD1 4.32Å; L129-I131 HydrophobicContact CG-CG1 4.03Å; I131-Q133 PolarHBondContact O-N 2.95Å; I131-V134 PolarHBondContact N-O 2.81Å; I131-V134 WeakPolarHBondContact O-CA 3.39Å; I131-V134 VanDerWaalsContact O-CB 3.27Å; I131-V134 WeakPolarHBondContact O-CB 3.47Å; I131-V134 PolarHBondContact O-N 2.85Å; I131-I136 HydrophobicContact CD1-CD1 4.25Å; I131-L175 HydrophobicContact CD1-CD1 4.36Å; I131-L175 HydrophobicContact CD1-CD2 3.75Å; I131-L175 HydrophobicContact CG2-CD1 4.37Å; I131-T177 HydrophobicContact CG2-CG2 4.15Å; I131-H187 HydrophobicContact CG2-CB 4.2Å; I131-H187 VanDerWaalsContact CG2-ND1 3.32Å; I131-H187 WeakPolarHBondContact CG2-ND1 3.49Å; I131-V189 HydrophobicContact CD1-CG2 3.53Å; I131-D194 HydrophobicContact CD1-CB 3.99Å; I131-D194 HydrophobicContact CG1-CB 3.91Å |
| 132 | E | 88.8 | Confident | 80.4 | Confident | 117 Ų | 117 | 56.5 Ų | 56.5 | 55% | 0.547 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | -123.6 | -169.2 | -52.7 | -61.1 | 160.9 | 0 | 0 | 110.9 | V134 T177 | E132-V134 VanDerWaalsContact C-N 3.3Å; E132-V134 PolarHBondContact O-N 2.92Å; E132-T177 HydrophobicContact CB-CG2 4.38Å; E132-T177 HydrophobicContact CG-CG2 4.32Å |
| 133 | Q | 86.6 | Confident | 81.5 | Confident | 128 Ų | 128 | 55.2 Ų | 55.2 | 60% | 0.598 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -5.1 | 175.6 | 68.8 | -85.4 | 26.3 | 0 | 0 | 114.6 | I131 | I131-Q133 PolarHBondContact O-N 2.95Š|
| 134 | V | 90.2 | Very high | 82.4 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 10% | 0.097 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 130.8 | -175 | -171.1 | 0 | 0 | 0 | 0 | 110.2 | G48 L130 I131 E132 I136 L175 T177 Y228 | G48-V134 WeakPolarHBondContact O-CG1 3.34Å; L130-V134 WeakPolarHBondContact CA-O 3.48Å; I131-V134 PolarHBondContact N-O 2.81Å; I131-V134 WeakPolarHBondContact O-CA 3.39Å; I131-V134 VanDerWaalsContact O-CB 3.27Å; I131-V134 WeakPolarHBondContact O-CB 3.47Å; I131-V134 PolarHBondContact O-N 2.85Å; E132-V134 VanDerWaalsContact C-N 3.3Å; E132-V134 PolarHBondContact O-N 2.92Å; V134-I136 HydrophobicContact CG1-CD1 4.09Å; V134-I136 HydrophobicContact CG1-CG1 3.78Å; V134-L175 HydrophobicContact CG2-CD1 4.46Å; V134-T177 HydrophobicContact CG2-CG2 3.94Å; V134-Y228 HydrophobicContact CG1-CE1 4.42Å |
| 135 | R | 91.5 | Very high | 82 | Confident | 128 Ų | 128 | 47.9 Ų | 47.9 | 48% | 0.483 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 114.4 | 178.9 | -175.7 | -178.1 | -174.6 | -144.9 | 18 | 110.3 | Y128 L130 | Y128-R135 HydrophobicContact CD1-CG 3.44Å; Y128-R135 VanDerWaalsContact CD1-CG 3.44Å; Y128-R135 HydrophobicContact CE1-CG 4.1Å; Y128-R135 VanDerWaalsContact CE1-CZ 3.46Å; Y128-R135 HydrophobicContact CG-CG 3.68Å; Y128-R135 VanDerWaalsContact CG-NE 3.29Å; Y128-R135 PolarHBondContact OH-NH1 2.84Å; Y128-R135 PolarHBondContact OH-NH2 2.94Å; L130-R135 HydrophobicContact CD2-CB 4.09Å; L130-R135 HydrophobicContact CD2-CG 3.9Å |
| 136 | I | 90.9 | Very high | 81.4 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 127.3 | -173.9 | -47.1 | 179.2 | 0 | 0 | 0 | 110.4 | I50 Y128 L129 I131 V134 R138 L141 L175 V226 Y228 | I50-I136 HydrophobicContact CB-CD1 4.33Å; I50-I136 HydrophobicContact CD1-CD1 4.27Å; I50-I136 HydrophobicContact CG2-CD1 4.44Å; Y128-I136 CarbonylContact C-O 3.47Å; Y128-I136 VanDerWaalsContact CA-O 3.27Å; Y128-I136 WeakPolarHBondContact CA-O 3.22Å; L129-I136 PolarHBondContact N-O 2.72Å; L129-I136 PolarHBondContact O-N 2.88Å; I131-I136 HydrophobicContact CD1-CD1 4.25Å; V134-I136 HydrophobicContact CG1-CD1 4.09Å; V134-I136 HydrophobicContact CG1-CG1 3.78Å; I136-R138 PolarHBondContact O-N 3.08Å; I136-L141 HydrophobicContact CB-CD1 4.1Å; I136-L141 HydrophobicContact CG2-CD1 3.86Å; I136-L141 HydrophobicContact CG2-CD2 3.76Å; I136-L141 HydrophobicContact CG2-CG 3.88Å; I136-L175 HydrophobicContact CD1-CD2 4.41Å; I136-V226 HydrophobicContact CG2-CG1 3.78Å; I136-Y228 HydrophobicContact CG1-CE1 4.2Å |
| 137 | P | 89.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 124.4 | 175.5 | -24.7 | 35.2 | 0 | 0 | 0 | 112.5 | Y128 D139 K140 | Y128-P137 HydrophobicContact CD1-CG 4.35Å; Y128-P137 HydrophobicContact CE1-CG 4.31Å; P137-D139 VanDerWaalsContact C-N 3.33Å; P137-D139 VanDerWaalsContact CB-OD1 3.3Å; P137-D139 WeakPolarHBondContact CB-OD1 3.07Å; P137-D139 PolarHBondContact O-N 2.94Å; P137-K140 PolarHBondContact O-N 2.99Å |
| 138 | R | 86.8 | Confident | 78.7 | Confident | 85 Ų | 85 | 51.5 Ų | 51.5 | 32% | 0.321 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.9 | -33.5 | -175.4 | -74.9 | -165.5 | 177.5 | -112.9 | -3.8 | 113.4 | E126 P127 Y128 L129 I136 K140 L141 V142 G192 | E126-R138 WeakPolarHBondContact O-CD 3.25Å; E126-R138 PolarHBondContact O-NE 3.49Å; P127-R138 PolarHBondContact O-N 3.27Å; Y128-R138 VanDerWaalsContact C-CG 3.49Å; Y128-R138 PolarHBondContact O-NE 2.68Å; Y128-R138 VanDerWaalsContact O-NE 3.16Å; L129-R138 HydrophobicContact CB-CG 4.21Å; I136-R138 PolarHBondContact O-N 3.08Å; R138-K140 PolarHBondContact O-N 2.83Å; R138-K140 VanDerWaalsContact O-N 3.17Å; R138-L141 PolarHBondContact O-N 3.32Å; R138-V142 WeakPolarHBondContact O-CG2 3.28Å; R138-V142 PolarHBondContact O-N 3.13Å; R138-G192 PolarHBondContact NH1-O 3.39Å |
| 139 | D | 83.6 | Confident | 77 | Confident | 22 Ų | 22 | 59.2 Ų | 59.2 | 12% | 0.118 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.7 | -24.5 | -177.6 | 59.2 | -14.9 | 0 | 0 | 0 | 113.5 | P137 S145 S232 T235 | P137-D139 VanDerWaalsContact C-N 3.33Å; P137-D139 VanDerWaalsContact CB-OD1 3.3Å; P137-D139 WeakPolarHBondContact CB-OD1 3.07Å; P137-D139 PolarHBondContact O-N 2.94Å; D139-S145 WeakPolarHBondContact O-CB 3.48Å; D139-S145 PolarHBondContact O-OG 3.21Å; D139-S232 WeakPolarHBondContact OD2-CB 3.48Å; D139-S232 PolarHBondContact OD2-N 3.41Å; D139-S232 PolarHBondContact OD2-OG 2.8Å; D139-T235 VanDerWaalsContact CB-OG1 3.31Å; D139-T235 WeakPolarHBondContact CB-OG1 3.49Å; D139-T235 PolarHBondContact OD2-OG1 3.24Å |
| 140 | K | 84.4 | Confident | 75.5 | Confident | 55 Ų | 55 | 65.5 Ų | 65.5 | 24% | 0.239 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -85 | -27.4 | 170.9 | -60.4 | -67.6 | -173.9 | 156.4 | 0 | 113.1 | L52 P137 R138 V142 R171 V226 E227 | L52-K140 VanDerWaalsContact CD2-O 3.26Å; L52-K140 WeakPolarHBondContact CD2-O 3.42Å; P137-K140 PolarHBondContact O-N 2.99Å; R138-K140 PolarHBondContact O-N 2.83Å; R138-K140 VanDerWaalsContact O-N 3.17Å; K140-V142 PolarHBondContact O-N 2.8Å; K140-R171 VanDerWaalsContact O-CD 3.25Å; K140-R171 WeakPolarHBondContact O-CD 3.28Å; K140-R171 PolarHBondContact O-NH1 3.24Å; K140-V226 HydrophobicContact CB-CG2 4.39Å; K140-E227 IonicContact NZ-OE1 3.8Å; K140-E227 PolarHBondContact NZ-OE1 2.96Å |
| 141 | L | 88 | Confident | 74.1 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -75.4 | -8.7 | -179.6 | -63.5 | -179.5 | 0 | 0 | 0 | 114 | I50 L52 L129 I136 R138 R171 V189 G192 | I50-L141 HydrophobicContact CD1-CD2 3.68Å; L52-L141 HydrophobicContact CD1-CD2 4.25Å; L52-L141 HydrophobicContact CD2-CD2 3.99Å; L129-L141 HydrophobicContact CB-CD1 3.65Å; L129-L141 HydrophobicContact CD2-CD1 3.46Å; L129-L141 VanDerWaalsContact CD2-CD1 3.46Å; L129-L141 HydrophobicContact CG-CD1 4.2Å; I136-L141 HydrophobicContact CB-CD1 4.1Å; I136-L141 HydrophobicContact CG2-CD1 3.86Å; I136-L141 HydrophobicContact CG2-CD2 3.76Å; I136-L141 HydrophobicContact CG2-CG 3.88Å; R138-L141 PolarHBondContact O-N 3.32Å; L141-R171 VanDerWaalsContact O-CB 3.32Å; L141-R171 WeakPolarHBondContact O-CB 3.45Å; L141-V189 HydrophobicContact CD1-CG1 4.18Å; L141-V189 HydrophobicContact CD2-CG1 4.32Å; L141-G192 PolarHBondContact O-N 2.86Å |
| 142 | V | 81.4 | Confident | 72.7 | Confident | 19 Ų | 19 | 62.6 Ų | 62.6 | 12% | 0.115 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -128.3 | 128.9 | -173.6 | -160.8 | 0 | 0 | 0 | 0 | 109.5 | R138 K140 R144 S145 R171 N191 | R138-V142 WeakPolarHBondContact O-CG2 3.28Å; R138-V142 PolarHBondContact O-N 3.13Å; K140-V142 PolarHBondContact O-N 2.8Å; V142-R144 HydrophobicContact CG1-CB 4.06Å; V142-R144 HydrophobicContact CG1-CG 3.58Å; V142-R144 PolarHBondContact O-N 3.36Å; V142-S145 PolarHBondContact O-OG 3.11Å; V142-R171 PolarHBondContact O-NH1 2.94Å; V142-N191 WeakPolarHBondContact CG2-O 3.02Å |
| 143 | G | 63.3 | Low | 71.8 | Confident | 19 Ų | 19 | 60.2 Ų | 60.2 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -0.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | R171 | G143-R171 VanDerWaalsContact CA-CZ 3.49Š|
| 144 | R | 60.6 | Low | 70.9 | Confident | 19 Ų | 19 | 56.9 Ų | 56.9 | 7% | 0.072 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -13.8 | -168.5 | -68.4 | 166.8 | -152.3 | -86.5 | -6.5 | 114.8 | V142 R146 S151 D155 | V142-R144 HydrophobicContact CG1-CB 4.06Å; V142-R144 HydrophobicContact CG1-CG 3.58Å; V142-R144 PolarHBondContact O-N 3.36Å; R144-R146 CarbonylContact O-C 3.55Å; R144-R146 PolarHBondContact O-N 2.76Å; R144-S151 PolarHBondContact NH1-O 2.82Å; R144-D155 IonicContact CZ-OD1 3.19Å; R144-D155 IonicContact CZ-OD2 2.79Å; R144-D155 IonicContact NE-OD1 2.56Å; R144-D155 PolarHBondContact NE-OD1 3.17Å; R144-D155 IonicContact NE-OD2 3.15Å; R144-D155 PolarHBondContact NE-OD2 3.33Å; R144-D155 IonicContact NH1-OD1 2.86Å; R144-D155 PolarHBondContact NH1-OD1 2.84Å; R144-D155 IonicContact NH1-OD2 2.8Å; R144-D155 PolarHBondContact NH1-OD2 2.98Å; R144-D155 IonicContact NH2-OD1 2.72Å; R144-D155 PolarHBondContact NH2-OD1 3.45Å; R144-D155 IonicContact NH2-OD2 3.92Å |
| 145 | S | 46 | Very low | 69.8 | Low | 35 Ų | 35 | 58.6 Ų | 58.6 | 25% | 0.245 | 27% | 0.27 | C | S | . | . | trans | -64.3 | 2.6 | -176.4 | 13.5 | 0 | 0 | 0 | 0 | 115.1 | D139 V142 | D139-S145 WeakPolarHBondContact O-CB 3.48Å; D139-S145 PolarHBondContact O-OG 3.21Å; V142-S145 PolarHBondContact O-OG 3.11Å | ||
| 146 | R | 52.1 | Low | 68.7 | Low | 209 Ų | 209 | 56.6 Ų | 56.6 | 79% | 0.789 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -102.4 | 106.4 | 162.8 | -63.7 | -172.5 | -176.4 | -159.2 | 2.2 | 108.6 | R144 G148 | R144-R146 CarbonylContact O-C 3.55Å; R144-R146 PolarHBondContact O-N 2.76Å; R146-G148 PolarHBondContact O-N 2.97Å |
| 147 | P | 50.4 | Low | 67.8 | Low | 44 Ų | 44 | 59.2 Ų | 59.2 | 29% | 0.286 | 28% | 0.283 | S | S | . | . | trans | -54.1 | 108.2 | 178 | -22.4 | 31.2 | 0 | 0 | 0 | 110.3 | L259 | P147-L259 HydrophobicContact CB-CB 4.12Å; P147-L259 HydrophobicContact CB-CD2 4.45Å | ||
| 148 | G | 55.3 | Low | 66.8 | Low | 31 Ų | 31 | 60.9 Ų | 60.9 | 32% | 0.32 | 29% | 0.29 | S | S | . | . | trans | -113.4 | 153.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | R146 Y150 S151 | R146-G148 PolarHBondContact O-N 2.97Å; G148-Y150 PolarHBondContact O-N 3.14Å; G148-S151 PolarHBondContact O-N 2.92Å; G148-S151 PolarHBondContact O-OG 3.43Å | ||
| 149 | R | 53 | Low | 65.8 | Low | 188 Ų | 188 | 63.1 Ų | 63.1 | 71% | 0.709 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -24.9 | -178.2 | -164.5 | 175.3 | -174.4 | -175 | 1.6 | 113.7 | H152 | R149-H152 PolarHBondContact O-CE1 2.87Š|
| 150 | Y | 59.8 | Low | 65.4 | Low | 140 Ų | 140 | 68.7 Ų | 68.7 | 55% | 0.549 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.2 | 16.1 | -177.1 | -51.2 | -67.6 | 0 | 0 | 0 | 114.2 | G148 H152 I153 | G148-Y150 PolarHBondContact O-N 3.14Å; Y150-H152 PolarHBondContact O-N 3.36Å; Y150-I153 HydrophobicContact CD1-CD1 3.86Å; Y150-I153 PolarHBondContact O-N 2.9Å; Y150-I153 VanDerWaalsContact O-N 3.16Å |
| 151 | S | 62.1 | Low | 64.6 | Low | 17 Ų | 17 | 70.3 Ų | 70.3 | 12% | 0.119 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -33.8 | -177.4 | 58.5 | 0 | 0 | 0 | 0 | 112.6 | R144 G148 I153 L154 E267 | R144-S151 PolarHBondContact NH1-O 2.82Å; G148-S151 PolarHBondContact O-N 2.92Å; G148-S151 PolarHBondContact O-OG 3.43Å; S151-I153 PolarHBondContact O-N 2.7Å; S151-L154 PolarHBondContact O-N 2.79Å; S151-E267 PolarHBondContact OG-OE1 3.26Å; S151-E267 VanDerWaalsContact OG-OE1 3.11Å |
| 152 | H | 62.3 | Low | 64.1 | Low | 43 Ų | 43 | 74.9 Ų | 74.9 | 20% | 0.199 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -33.1 | 178.4 | 60.8 | -78.4 | 0 | 0 | 0 | 115 | R149 Y150 L154 Y266 | R149-H152 PolarHBondContact O-CE1 2.87Å; Y150-H152 PolarHBondContact O-N 3.36Å; H152-L154 VanDerWaalsContact C-N 3.29Å; H152-L154 PolarHBondContact O-N 2.9Å; H152-Y266 HydrophobicContact CB-CD1 4.16Å; H152-Y266 HydrophobicContact CB-CD2 4.43Å; H152-Y266 HydrophobicContact CB-CG 3.75Å; H152-Y266 AromaticContact CD2-CD1 3.68Å; H152-Y266 AromaticContact CD2-CG 3.91Å; H152-Y266 AromaticContact CG-CG 3.8Å |
| 153 | I | 68.7 | Low | 63.9 | Low | 66 Ų | 66 | 76.1 Ų | 76.1 | 34% | 0.338 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -76 | -24.8 | -176.4 | -44.8 | 179.4 | 0 | 0 | 0 | 110.3 | Y150 S151 D155 D156 L157 | Y150-I153 HydrophobicContact CD1-CD1 3.86Å; Y150-I153 PolarHBondContact O-N 2.9Å; Y150-I153 VanDerWaalsContact O-N 3.16Å; S151-I153 PolarHBondContact O-N 2.7Å; I153-D155 PolarHBondContact O-N 2.9Å; I153-D155 VanDerWaalsContact O-N 3.13Å; I153-D156 PolarHBondContact O-N 2.82Å; I153-D156 VanDerWaalsContact O-N 3.11Å; I153-L157 HydrophobicContact CG2-CD1 4.34Å; I153-L157 HydrophobicContact CG2-CG 4.13Å; I153-L157 WeakPolarHBondContact O-CG 3.29Å; I153-L157 PolarHBondContact O-N 2.87Å |
| 154 | L | 69.2 | Low | 65 | Low | 59 Ų | 59 | 77.8 Ų | 77.8 | 31% | 0.309 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -57.9 | -31.3 | -179 | -65.9 | 173.1 | 0 | 0 | 0 | 112.3 | S151 H152 L157 Y158 L163 | S151-L154 PolarHBondContact O-N 2.79Å; H152-L154 VanDerWaalsContact C-N 3.29Å; H152-L154 PolarHBondContact O-N 2.9Å; L154-L157 HydrophobicContact CD2-CD1 4.36Å; L154-L157 PolarHBondContact O-N 2.76Å; L154-Y158 HydrophobicContact CB-CE2 4.36Å; L154-Y158 WeakPolarHBondContact O-CD2 3.49Å; L154-Y158 PolarHBondContact O-N 3.06Å; L154-L163 HydrophobicContact CD2-CD1 3.82Å |
| 155 | D | 65.7 | Low | 66.3 | Low | 51 Ų | 51 | 77.8 Ų | 77.8 | 27% | 0.273 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -65.7 | -48.4 | 178.8 | -95 | -42.7 | 0 | 0 | 0 | 110 | R144 I153 L157 Y158 K159 | R144-D155 IonicContact CZ-OD1 3.19Å; R144-D155 IonicContact CZ-OD2 2.79Å; R144-D155 IonicContact NE-OD1 2.56Å; R144-D155 PolarHBondContact NE-OD1 3.17Å; R144-D155 IonicContact NE-OD2 3.15Å; R144-D155 PolarHBondContact NE-OD2 3.33Å; R144-D155 IonicContact NH1-OD1 2.86Å; R144-D155 PolarHBondContact NH1-OD1 2.84Å; R144-D155 IonicContact NH1-OD2 2.8Å; R144-D155 PolarHBondContact NH1-OD2 2.98Å; R144-D155 IonicContact NH2-OD1 2.72Å; R144-D155 PolarHBondContact NH2-OD1 3.45Å; R144-D155 IonicContact NH2-OD2 3.92Å; I153-D155 PolarHBondContact O-N 2.9Å; I153-D155 VanDerWaalsContact O-N 3.13Å; D155-L157 VanDerWaalsContact C-N 3.28Å; D155-L157 PolarHBondContact O-N 2.84Å; D155-Y158 PolarHBondContact O-N 3.07Å; D155-K159 WeakPolarHBondContact O-CB 3.16Å; D155-K159 VanDerWaalsContact O-CG 3.24Å; D155-K159 WeakPolarHBondContact O-CG 3.35Å; D155-K159 PolarHBondContact O-N 3.47Å |
| 156 | D | 68.9 | Low | 68.4 | Low | 86 Ų | 86 | 76.2 Ų | 76.2 | 46% | 0.46 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.7 | -37.8 | 177.8 | -62.8 | -25.2 | 0 | 0 | 0 | 110 | I153 Y158 K159 M160 | I153-D156 PolarHBondContact O-N 2.82Å; I153-D156 VanDerWaalsContact O-N 3.11Å; D156-Y158 PolarHBondContact O-N 3.47Å; D156-K159 PolarHBondContact O-N 3.46Å; D156-M160 WeakPolarHBondContact O-CA 3.15Å; D156-M160 WeakPolarHBondContact O-CB 3.22Å; D156-M160 WeakPolarHBondContact O-CG 3.12Å; D156-M160 PolarHBondContact O-N 3.47Å |
| 157 | L | 72.6 | Confident | 70.2 | Confident | 56 Ų | 56 | 66.8 Ų | 66.8 | 29% | 0.293 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.4 | -35.8 | 175.6 | -65.1 | 177.5 | 0 | 0 | 0 | 113.3 | I153 L154 D155 N161 V162 L163 | I153-L157 HydrophobicContact CG2-CD1 4.34Å; I153-L157 HydrophobicContact CG2-CG 4.13Å; I153-L157 WeakPolarHBondContact O-CG 3.29Å; I153-L157 PolarHBondContact O-N 2.87Å; L154-L157 HydrophobicContact CD2-CD1 4.36Å; L154-L157 PolarHBondContact O-N 2.76Å; D155-L157 VanDerWaalsContact C-N 3.28Å; D155-L157 PolarHBondContact O-N 2.84Å; L157-N161 PolarHBondContact O-N 3.33Å; L157-V162 HydrophobicContact CB-CB 4.24Å; L157-V162 HydrophobicContact CD2-CB 3.96Å; L157-V162 HydrophobicContact CD2-CG1 4.04Å; L157-V162 HydrophobicContact CD2-CG2 4.03Å; L157-V162 WeakPolarHBondContact O-CA 3.44Å; L157-V162 WeakPolarHBondContact O-CB 3.48Å; L157-V162 PolarHBondContact O-N 2.81Å; L157-L163 HydrophobicContact CB-CD1 3.85Å; L157-L163 HydrophobicContact CB-CG 4.03Å; L157-L163 HydrophobicContact CD1-CD1 4.2Å; L157-L163 PolarHBondContact O-N 2.62Å; L157-L163 VanDerWaalsContact O-N 3.13Å |
| 158 | Y | 67.8 | Low | 72 | Confident | 35 Ų | 35 | 71.9 Ų | 71.9 | 14% | 0.137 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.4 | -48.2 | 171.3 | -72 | -63.8 | 0 | 0 | 0 | 111.5 | L154 D155 D156 M160 N161 L163 P164 A167 S170 | L154-Y158 HydrophobicContact CB-CE2 4.36Å; L154-Y158 WeakPolarHBondContact O-CD2 3.49Å; L154-Y158 PolarHBondContact O-N 3.06Å; D155-Y158 PolarHBondContact O-N 3.07Å; D156-Y158 PolarHBondContact O-N 3.47Å; Y158-M160 VanDerWaalsContact C-N 3.27Å; Y158-M160 PolarHBondContact O-N 3.49Å; Y158-N161 PolarHBondContact O-N 3.16Å; Y158-L163 HydrophobicContact CD1-CB 3.62Å; Y158-L163 HydrophobicContact CE1-CB 3.53Å; Y158-L163 HydrophobicContact CE1-CD1 4.26Å; Y158-L163 HydrophobicContact CE2-CD1 4.41Å; Y158-L163 HydrophobicContact CG-CB 4.37Å; Y158-P164 VanDerWaalsContact CE1-O 3.29Å; Y158-P164 WeakPolarHBondContact CE1-O 3.15Å; Y158-A167 HydrophobicContact CE1-CB 4Å; Y158-S170 PolarHBondContact OH-OG 2.99Å; Y158-S170 VanDerWaalsContact OH-OG 3.08Å |
| 159 | K | 67.3 | Low | 73.6 | Confident | 131 Ų | 131 | 74.5 Ų | 74.5 | 57% | 0.57 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.8 | -36.7 | 179.4 | -71.2 | 169.1 | -172.6 | 168.9 | 0 | 112.4 | D155 D156 N161 | D155-K159 WeakPolarHBondContact O-CB 3.16Å; D155-K159 VanDerWaalsContact O-CG 3.24Å; D155-K159 WeakPolarHBondContact O-CG 3.35Å; D155-K159 PolarHBondContact O-N 3.47Å; D156-K159 PolarHBondContact O-N 3.46Å; K159-N161 PolarHBondContact O-N 3.2Å |
| 160 | M | 73.8 | Confident | 75.4 | Confident | 140 Ų | 140 | 65.6 Ų | 65.6 | 69% | 0.69 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 9.2 | 177.2 | -63.3 | -53.9 | -57 | 0 | 0 | 112.6 | D156 Y158 V162 | D156-M160 WeakPolarHBondContact O-CA 3.15Å; D156-M160 WeakPolarHBondContact O-CB 3.22Å; D156-M160 WeakPolarHBondContact O-CG 3.12Å; D156-M160 PolarHBondContact O-N 3.47Å; Y158-M160 VanDerWaalsContact C-N 3.27Å; Y158-M160 PolarHBondContact O-N 3.49Å; M160-V162 HydrophobicContact CB-CG2 4.19Å; M160-V162 PolarHBondContact O-N 3.13Å; M160-V162 VanDerWaalsContact O-N 3.11Å |
| 161 | N | 67.8 | Low | 77 | Confident | 88 Ų | 88 | 59.8 Ų | 59.8 | 47% | 0.471 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 20.3 | 174.3 | -72.6 | -32.5 | 0 | 0 | 0 | 115.1 | R102 L157 Y158 K159 | R102-N161 WeakPolarHBondContact CD-OD1 3.25Å; R102-N161 VanDerWaalsContact CZ-CB 3.44Å; R102-N161 VanDerWaalsContact CZ-OD1 3.29Å; R102-N161 PolarHBondContact NE-OD1 3.49Å; R102-N161 VanDerWaalsContact NH2-C 3.3Å; R102-N161 PolarHBondContact NH2-O 3.2Å; L157-N161 PolarHBondContact O-N 3.33Å; Y158-N161 PolarHBondContact O-N 3.16Å; K159-N161 PolarHBondContact O-N 3.2Å |
| 162 | V | 77.3 | Confident | 78.6 | Confident | 96 Ų | 96 | 59 Ų | 59 | 58% | 0.582 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -76.4 | -37.7 | 175.1 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | L157 M160 | L157-V162 HydrophobicContact CB-CB 4.24Å; L157-V162 HydrophobicContact CD2-CB 3.96Å; L157-V162 HydrophobicContact CD2-CG1 4.04Å; L157-V162 HydrophobicContact CD2-CG2 4.03Å; L157-V162 WeakPolarHBondContact O-CA 3.44Å; L157-V162 WeakPolarHBondContact O-CB 3.48Å; L157-V162 PolarHBondContact O-N 2.81Å; M160-V162 HydrophobicContact CB-CG2 4.19Å; M160-V162 PolarHBondContact O-N 3.13Å; M160-V162 VanDerWaalsContact O-N 3.11Å |
| 163 | L | 78.4 | Confident | 80.2 | Confident | 46 Ų | 46 | 57 Ų | 57 | 24% | 0.241 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -105.8 | 142.2 | 176.8 | -67.1 | 175.3 | 0 | 0 | 0 | 111.9 | R102 L154 L157 Y158 A167 | R102-L163 PolarHBondContact NH2-O 2.91Å; L154-L163 HydrophobicContact CD2-CD1 3.82Å; L157-L163 HydrophobicContact CB-CD1 3.85Å; L157-L163 HydrophobicContact CB-CG 4.03Å; L157-L163 HydrophobicContact CD1-CD1 4.2Å; L157-L163 PolarHBondContact O-N 2.62Å; L157-L163 VanDerWaalsContact O-N 3.13Å; Y158-L163 HydrophobicContact CD1-CB 3.62Å; Y158-L163 HydrophobicContact CE1-CB 3.53Å; Y158-L163 HydrophobicContact CE1-CD1 4.26Å; Y158-L163 HydrophobicContact CE2-CD1 4.41Å; Y158-L163 HydrophobicContact CG-CB 4.37Å; L163-A167 HydrophobicContact CB-CB 4.36Å |
| 164 | P | 86.2 | Confident | 81.6 | Confident | 53 Ų | 53 | 53.8 Ų | 53.8 | 34% | 0.344 | 27% | 0.265 | S | S | . | . | trans | -75.4 | 151.8 | 172.8 | 30.4 | -34.5 | 0 | 0 | 0 | 111.2 | Y158 T166 A167 | Y158-P164 VanDerWaalsContact CE1-O 3.29Å; Y158-P164 WeakPolarHBondContact CE1-O 3.15Å; P164-T166 PolarHBondContact O-N 3.34Å; P164-A167 HydrophobicContact CG-CB 4.1Å; P164-A167 VanDerWaalsContact O-CB 3.28Å; P164-A167 WeakPolarHBondContact O-CB 3.4Å; P164-A167 PolarHBondContact O-N 3.14Å | ||
| 165 | P | 86.7 | Confident | 83 | Confident | 20 Ų | 20 | 51 Ų | 51 | 13% | 0.13 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -25.3 | 177.4 | -27.7 | 35.6 | 0 | 0 | 0 | 114.6 | I100 R102 S170 I190 | I100-P165 HydrophobicContact CG2-CB 3.97Å; R102-P165 HydrophobicContact CB-CG 4.24Å; P165-S170 WeakPolarHBondContact O-CB 3.2Å; P165-S170 PolarHBondContact O-OG 3.41Å; P165-I190 HydrophobicContact CB-CG2 4.17Å |
| 166 | T | 91.3 | Very high | 84.5 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 25.9 | 178 | 51.6 | 0 | 0 | 0 | 0 | 113.5 | I55 K58 H65 L66 I100 P164 | I55-T166 HydrophobicContact CD1-CG2 4.29Å; I55-T166 WeakPolarHBondContact CD1-O 3.11Å; K58-T166 WeakPolarHBondContact CD-O 3.26Å; K58-T166 WeakPolarHBondContact CE-O 3.43Å; K58-T166 PolarHBondContact NZ-O 2.86Å; H65-T166 HydrophobicContact CB-CG2 4.13Å; H65-T166 PolarHBondContact ND1-OG1 2.95Å; H65-T166 VanDerWaalsContact ND1-OG1 3.08Å; L66-T166 HydrophobicContact CB-CG2 4.04Å; I100-T166 HydrophobicContact CB-CG2 3.58Å; I100-T166 HydrophobicContact CG2-CG2 3.54Å; P164-T166 PolarHBondContact O-N 3.34Å |
| 167 | A | 89.6 | Confident | 85.7 | Confident | 11 Ų | 11 | 45.4 Ų | 45.4 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -65 | 163.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y158 L163 P164 R169 S170 | Y158-A167 HydrophobicContact CE1-CB 4Å; L163-A167 HydrophobicContact CB-CB 4.36Å; P164-A167 HydrophobicContact CG-CB 4.1Å; P164-A167 VanDerWaalsContact O-CB 3.28Å; P164-A167 WeakPolarHBondContact O-CB 3.4Å; P164-A167 PolarHBondContact O-N 3.14Å; A167-R169 PolarHBondContact O-N 2.83Å; A167-S170 VanDerWaalsContact O-CB 3.22Å; A167-S170 WeakPolarHBondContact O-CB 3.41Å; A167-S170 PolarHBondContact O-N 2.91Å; A167-S170 VanDerWaalsContact O-N 3.09Å; A167-S170 PolarHBondContact O-OG 3.44Å |
| 168 | R | 89.1 | Confident | 86.8 | Confident | 151 Ų | 151 | 45.1 Ų | 45.1 | 57% | 0.57 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 140.2 | 174 | -166.2 | -173.4 | -177.5 | -160.4 | 1 | 109.7 | E56 K58 S170 | E56-R168 WeakPolarHBondContact O-CG 3.33Å; E56-R168 PolarHBondContact O-NE 2.89Å; K58-R168 HydrophobicContact CG-CB 4.4Å; R168-S170 PolarHBondContact O-N 3.11Å |
| 169 | R | 88.9 | Confident | 88.1 | Confident | 87 Ų | 87 | 45.7 Ų | 45.7 | 33% | 0.328 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 0.7 | -174.6 | -53.7 | -69.6 | 142.2 | -179.7 | -3.4 | 115.4 | E54 I55 A167 R171 | E54-R169 WeakPolarHBondContact OE1-CD 3.41Å; E54-R169 IonicContact OE1-CZ 3.3Å; E54-R169 IonicContact OE1-NE 2.74Å; E54-R169 IonicContact OE1-NH1 3.11Å; E54-R169 PolarHBondContact OE1-NH1 2.9Å; I55-R169 PolarHBondContact O-N 3.27Å; A167-R169 PolarHBondContact O-N 2.83Å; R169-R171 PolarHBondContact O-N 2.86Å |
| 170 | S | 90.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -62.2 | 137.9 | 165.4 | -74.6 | 0 | 0 | 0 | 0 | 110.1 | E54 I55 Y158 P165 A167 R168 N191 | E54-S170 WeakPolarHBondContact CA-O 3.43Å; I55-S170 PolarHBondContact N-O 3.24Å; Y158-S170 PolarHBondContact OH-OG 2.99Å; Y158-S170 VanDerWaalsContact OH-OG 3.08Å; P165-S170 WeakPolarHBondContact O-CB 3.2Å; P165-S170 PolarHBondContact O-OG 3.41Å; A167-S170 VanDerWaalsContact O-CB 3.22Å; A167-S170 WeakPolarHBondContact O-CB 3.41Å; A167-S170 PolarHBondContact O-N 2.91Å; A167-S170 VanDerWaalsContact O-N 3.09Å; A167-S170 PolarHBondContact O-OG 3.44Å; R168-S170 PolarHBondContact O-N 3.11Å; S170-N191 VanDerWaalsContact CA-OD1 3.28Å; S170-N191 WeakPolarHBondContact CA-OD1 3.32Å; S170-N191 PolarHBondContact OG-ND2 3.37Å | ||
| 171 | R | 93.3 | Very high | 90.1 | Very high | 19 Ų | 19 | 44.8 Ų | 44.8 | 7% | 0.072 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 125.2 | 170.3 | -69.3 | -170.5 | -177.6 | 158.3 | 8.5 | 109.3 | L52 V53 E54 K140 L141 V142 G143 R169 N191 | L52-R171 HydrophobicContact CD1-CB 4.04Å; L52-R171 HydrophobicContact CG-CB 4.49Å; V53-R171 CarbonylContact O-C 3.57Å; V53-R171 VanDerWaalsContact O-CA 3.25Å; V53-R171 WeakPolarHBondContact O-CA 3.48Å; E54-R171 HydrophobicContact CB-CG 3.96Å; E54-R171 HydrophobicContact CG-CG 4.03Å; E54-R171 IonicContact OE2-CZ 3.41Å; E54-R171 VanDerWaalsContact OE2-CZ 3.29Å; E54-R171 IonicContact OE2-NE 3.23Å; E54-R171 PolarHBondContact OE2-NE 2.73Å; E54-R171 IonicContact OE2-NH2 3.82Å; E54-R171 PolarHBondContact OE2-NH2 3.47Å; K140-R171 VanDerWaalsContact O-CD 3.25Å; K140-R171 WeakPolarHBondContact O-CD 3.28Å; K140-R171 PolarHBondContact O-NH1 3.24Å; L141-R171 VanDerWaalsContact O-CB 3.32Å; L141-R171 WeakPolarHBondContact O-CB 3.45Å; V142-R171 PolarHBondContact O-NH1 2.94Å; G143-R171 VanDerWaalsContact CA-CZ 3.49Å; R169-R171 PolarHBondContact O-N 2.86Å; R171-N191 PolarHBondContact N-OD1 2.85Å; R171-N191 PolarHBondContact O-N 3.18Å |
| 172 | I | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.3 | -179.2 | -59.4 | 86 | 0 | 0 | 0 | 106.8 | V53 I55 L66 I68 I100 I188 V189 | V53-I172 HydrophobicContact CG2-CB 4.47Å; V53-I172 WeakPolarHBondContact CG2-O 3.34Å; V53-I172 PolarHBondContact N-O 3.42Å; V53-I172 PolarHBondContact O-N 2.73Å; I55-I172 HydrophobicContact CD1-CD1 3.62Å; I55-I172 HydrophobicContact CG1-CD1 3.86Å; L66-I172 HydrophobicContact CD2-CB 4.21Å; L66-I172 HydrophobicContact CD2-CD1 4.06Å; L66-I172 HydrophobicContact CD2-CG1 4.23Å; L66-I172 HydrophobicContact CD2-CG2 4.49Å; I68-I172 HydrophobicContact CB-CG2 4.43Å; I68-I172 HydrophobicContact CD1-CG2 3.93Å; I68-I172 HydrophobicContact CG2-CG2 3.88Å; I100-I172 HydrophobicContact CD1-CG2 3.85Å; I100-I172 HydrophobicContact CG1-CG2 3.91Å; I100-I172 HydrophobicContact CG2-CG1 4.43Å; I172-I188 HydrophobicContact CG2-CG2 4.44Å; I172-V189 CarbonylContact C-O 3.57Å; I172-V189 WeakPolarHBondContact CA-O 3.39Å |
| 173 | G | 96.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 155.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F51 I188 V189 | F51-G173 WeakPolarHBondContact O-CA 3.31Å; G173-I188 CarbonylContact O-C 3.47Å; G173-I188 WeakPolarHBondContact O-CA 3.25Å; G173-V189 PolarHBondContact N-O 3.45Å; G173-V189 PolarHBondContact O-N 2.78Å |
| 174 | V | 97.9 | Very high | 93 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 139.8 | 171.1 | 64.3 | 0 | 0 | 0 | 0 | 109.1 | I50 F51 I68 L70 M186 H187 A210 | I50-V174 WeakPolarHBondContact CA-O 3.37Å; F51-V174 HydrophobicContact CB-CG1 4.15Å; F51-V174 PolarHBondContact N-O 2.83Å; F51-V174 PolarHBondContact O-N 2.56Å; I68-V174 HydrophobicContact CD1-CB 4.07Å; I68-V174 HydrophobicContact CD1-CG1 3.93Å; I68-V174 HydrophobicContact CG1-CB 4.07Å; I68-V174 HydrophobicContact CG1-CG1 3.89Å; L70-V174 HydrophobicContact CD1-CG2 4.43Å; L70-V174 HydrophobicContact CD2-CG1 4.12Å; L70-V174 HydrophobicContact CD2-CG2 3.94Å; L70-V174 HydrophobicContact CG-CG2 3.82Å; V174-M186 HydrophobicContact CG2-CG 3.74Å; V174-M186 HydrophobicContact CG2-SD 3.82Å; V174-H187 WeakPolarHBondContact CA-O 3.21Å; V174-A210 HydrophobicContact CG1-CB 4.07Å |
| 175 | L | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 171.4 | 171 | 65.1 | 140.1 | 0 | 0 | 0 | 109.6 | Q49 I50 I131 V134 I136 T177 M186 H187 V189 | Q49-L175 WeakPolarHBondContact O-CB 3.41Å; I50-L175 HydrophobicContact CB-CB 4.28Å; I50-L175 HydrophobicContact CB-CD2 4.28Å; I50-L175 HydrophobicContact CD1-CD2 4.07Å; I50-L175 HydrophobicContact CG1-CB 4.46Å; I50-L175 HydrophobicContact CG1-CD2 3.96Å; I131-L175 HydrophobicContact CD1-CD1 4.36Å; I131-L175 HydrophobicContact CD1-CD2 3.75Å; I131-L175 HydrophobicContact CG2-CD1 4.37Å; V134-L175 HydrophobicContact CG2-CD1 4.46Å; I136-L175 HydrophobicContact CD1-CD2 4.41Å; L175-T177 HydrophobicContact CD1-CG2 4.06Å; L175-M186 CarbonylContact O-C 3.54Å; L175-M186 WeakPolarHBondContact O-CA 3.33Å; L175-H187 HydrophobicContact CD2-CB 4.25Å; L175-H187 HydrophobicContact CG-CB 4.21Å; L175-H187 PolarHBondContact N-O 2.98Å; L175-H187 PolarHBondContact O-N 3.17Å; L175-V189 HydrophobicContact CD2-CG2 3.78Å |
| 176 | Y | 97.3 | Very high | 93.9 | Very high | 19 Ų | 19 | 34.5 Ų | 34.5 | 8% | 0.075 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 150.4 | 166.4 | 70 | -87.8 | 0 | 0 | 0 | 111.9 | L45 P47 G48 L70 A184 D185 L208 | L45-Y176 HydrophobicContact CB-CD1 4.46Å; L45-Y176 HydrophobicContact CB-CE1 3.97Å; L45-Y176 WeakPolarHBondContact O-CE1 3.16Å; L45-Y176 PolarHBondContact O-OH 3.21Å; P47-Y176 HydrophobicContact CB-CE2 4.03Å; P47-Y176 VanDerWaalsContact CD-OH 3.31Å; P47-Y176 WeakPolarHBondContact CD-OH 3.24Å; P47-Y176 HydrophobicContact CG-CE2 3.89Å; G48-Y176 WeakPolarHBondContact CA-O 2.93Å; G48-Y176 PolarHBondContact N-O 2.72Å; L70-Y176 HydrophobicContact CD1-CD1 3.97Å; L70-Y176 HydrophobicContact CD1-CG 4.29Å; Y176-A184 HydrophobicContact CD2-CB 3.67Å; Y176-A184 HydrophobicContact CE2-CB 4.48Å; Y176-A184 HydrophobicContact CG-CB 4.37Å; Y176-D185 CarbonylContact C-O 3.59Å; Y176-D185 WeakPolarHBondContact CA-O 3.45Å; Y176-L208 HydrophobicContact CD1-CB 4.37Å; Y176-L208 HydrophobicContact CD1-CD1 3.89Å; Y176-L208 HydrophobicContact CD2-CD1 4.27Å; Y176-L208 HydrophobicContact CE1-CB 4.12Å; Y176-L208 HydrophobicContact CE1-CD1 4.05Å; Y176-L208 HydrophobicContact CE2-CD1 4.4Å; Y176-L208 HydrophobicContact CG-CD1 3.99Å |
| 177 | T | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 125.5 | 177.2 | 56.3 | 0 | 0 | 0 | 0 | 109.4 | I131 E132 V134 L175 A184 D185 H187 | I131-T177 HydrophobicContact CG2-CG2 4.15Å; E132-T177 HydrophobicContact CB-CG2 4.38Å; E132-T177 HydrophobicContact CG-CG2 4.32Å; V134-T177 HydrophobicContact CG2-CG2 3.94Å; L175-T177 HydrophobicContact CD1-CG2 4.06Å; T177-A184 CarbonylContact O-C 3.51Å; T177-A184 VanDerWaalsContact O-CA 3.25Å; T177-A184 WeakPolarHBondContact O-CA 3.09Å; T177-A184 WeakPolarHBondContact O-CB 3.07Å; T177-D185 PolarHBondContact N-O 2.95Å; T177-D185 PolarHBondContact O-N 3.4Å; T177-D185 PolarHBondContact OG1-O 3.44Å; T177-H187 PolarHBondContact OG1-NE2 3.35Å |
| 178 | P | 94.8 | Very high | 94.4 | Very high | 50 Ų | 50 | 34 Ų | 34 | 33% | 0.325 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 142.2 | 179.5 | 28.1 | -31.5 | 0 | 0 | 0 | 110.3 | P47 | P47-P178 HydrophobicContact CB-CG 4.06Å |
| 179 | Q | 94.6 | Very high | 94.6 | Very high | 47 Ų | 47 | 26.9 Ų | 26.9 | 22% | 0.22 | 16% | 0.156 | C | C | . | . | trans | -108.3 | 154 | -177.5 | -62.7 | -59.6 | -41.2 | 0 | 0 | 110.9 | N181 G182 T183 D185 | Q179-N181 VanDerWaalsContact CB-OD1 3.28Å; Q179-N181 WeakPolarHBondContact CB-OD1 3.4Å; Q179-N181 PolarHBondContact O-N 3.27Å; Q179-N181 VanDerWaalsContact O-N 3.08Å; Q179-G182 PolarHBondContact O-N 3.11Å; Q179-G182 VanDerWaalsContact O-N 3.08Å; Q179-T183 WeakPolarHBondContact CB-O 3.38Å; Q179-T183 PolarHBondContact N-O 3.39Å; Q179-D185 HydrophobicContact CG-CB 4.36Å; Q179-D185 PolarHBondContact NE2-OD2 3.31Å | ||
| 180 | P | 92.1 | Very high | 94.7 | Very high | 135 Ų | 135 | 23.5 Ų | 23.5 | 88% | 0.877 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.3 | -177.7 | -25.4 | 34.8 | 0 | 0 | 0 | 114.9 | G182 | P180-G182 PolarHBondContact O-N 3.06Š|
| 181 | N | 91.9 | Very high | 94.6 | Very high | 118 Ų | 118 | 24.8 Ų | 24.8 | 63% | 0.631 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | 5.5 | 178.9 | 66.9 | -3.1 | 0 | 0 | 0 | 113.9 | Q179 T183 | Q179-N181 VanDerWaalsContact CB-OD1 3.28Å; Q179-N181 WeakPolarHBondContact CB-OD1 3.4Å; Q179-N181 PolarHBondContact O-N 3.27Å; Q179-N181 VanDerWaalsContact O-N 3.08Å; N181-T183 VanDerWaalsContact C-N 3.34Å; N181-T183 VanDerWaalsContact CG-OG1 3.27Å; N181-T183 PolarHBondContact ND2-OG1 3.46Å; N181-T183 WeakPolarHBondContact OD1-CB 3.22Å; N181-T183 PolarHBondContact OD1-N 2.81Å; N181-T183 PolarHBondContact OD1-OG1 3.38Å |
| 182 | G | 92.2 | Very high | 94.3 | Very high | 48 Ų | 48 | 23.9 Ų | 23.9 | 50% | 0.495 | 15% | 0.148 | S | C | . | . | S | Bend | trans | 77.7 | 17.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q179 P180 T204 | Q179-G182 PolarHBondContact O-N 3.11Å; Q179-G182 VanDerWaalsContact O-N 3.08Å; P180-G182 PolarHBondContact O-N 3.06Å; G182-T204 PolarHBondContact O-OG1 2.81Å |
| 183 | T | 95.6 | Very high | 93.9 | Very high | 34 Ų | 34 | 28.8 Ų | 28.8 | 21% | 0.209 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | -178.7 | 169.9 | 68.9 | 0 | 0 | 0 | 0 | 110.4 | Q179 N181 L202 T204 | Q179-T183 WeakPolarHBondContact CB-O 3.38Å; Q179-T183 PolarHBondContact N-O 3.39Å; N181-T183 VanDerWaalsContact C-N 3.34Å; N181-T183 VanDerWaalsContact CG-OG1 3.27Å; N181-T183 PolarHBondContact ND2-OG1 3.46Å; N181-T183 WeakPolarHBondContact OD1-CB 3.22Å; N181-T183 PolarHBondContact OD1-N 2.81Å; N181-T183 PolarHBondContact OD1-OG1 3.38Å; T183-L202 CarbonylContact C-O 3.57Å; T183-L202 WeakPolarHBondContact CA-O 3.39Å; T183-L202 WeakPolarHBondContact CB-O 3.43Å; T183-T204 VanDerWaalsContact C-CG2 3.45Å |
| 184 | A | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 153.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y176 T177 G201 L202 T204 | Y176-A184 HydrophobicContact CD2-CB 3.67Å; Y176-A184 HydrophobicContact CE2-CB 4.48Å; Y176-A184 HydrophobicContact CG-CB 4.37Å; T177-A184 CarbonylContact O-C 3.51Å; T177-A184 VanDerWaalsContact O-CA 3.25Å; T177-A184 WeakPolarHBondContact O-CA 3.09Å; T177-A184 WeakPolarHBondContact O-CB 3.07Å; A184-G201 PolarHBondContact O-N 3.1Å; A184-G201 VanDerWaalsContact O-N 3.16Å; A184-L202 HydrophobicContact CB-CB 4.19Å; A184-L202 PolarHBondContact N-O 2.93Å; A184-L202 WeakPolarHBondContact O-CB 3.26Å; A184-L202 PolarHBondContact O-N 2.85Å; A184-T204 HydrophobicContact CB-CG2 3.62Å |
| 185 | D | 96.1 | Very high | 93.2 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.027 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 129.6 | 171.5 | -72.8 | -4 | 0 | 0 | 0 | 109.2 | Y176 T177 Q179 P197 A199 R200 | Y176-D185 CarbonylContact C-O 3.59Å; Y176-D185 WeakPolarHBondContact CA-O 3.45Å; T177-D185 PolarHBondContact N-O 2.95Å; T177-D185 PolarHBondContact O-N 3.4Å; T177-D185 PolarHBondContact OG1-O 3.44Å; Q179-D185 HydrophobicContact CG-CB 4.36Å; Q179-D185 PolarHBondContact NE2-OD2 3.31Å; D185-P197 HydrophobicContact CB-CB 4.32Å; D185-A199 CarbonylContact C-O 3.57Å; D185-A199 WeakPolarHBondContact CA-O 3.45Å; D185-R200 WeakPolarHBondContact OD1-CA 3.42Å; D185-R200 WeakPolarHBondContact OD1-CB 3.48Å; D185-R200 WeakPolarHBondContact OD1-CG 3.17Å; D185-R200 IonicContact OD2-CZ 3.61Å; D185-R200 IonicContact OD2-NH1 2.66Å; D185-R200 PolarHBondContact OD2-NH1 2.62Å |
| 186 | M | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 131.1 | 175.3 | -174.6 | -179 | 77.7 | 0 | 0 | 109.9 | L70 W96 F98 V174 L175 P197 S198 A199 L202 | L70-M186 HydrophobicContact CB-SD 3.88Å; L70-M186 HydrophobicContact CD1-CB 4.17Å; L70-M186 HydrophobicContact CD1-CG 3.63Å; L70-M186 HydrophobicContact CD1-SD 3.86Å; L70-M186 HydrophobicContact CG-CG 3.96Å; L70-M186 HydrophobicContact CG-SD 3.59Å; L70-M186 VanDerWaalsContact CG-SD 3.59Å; W96-M186 HydrophobicContact CB-CE 4.07Å; W96-M186 HydrophobicContact CB-SD 4.12Å; F98-M186 HydrophobicContact CD2-CE 3.54Å; F98-M186 HydrophobicContact CE2-CE 3.35Å; V174-M186 HydrophobicContact CG2-CG 3.74Å; V174-M186 HydrophobicContact CG2-SD 3.82Å; L175-M186 CarbonylContact O-C 3.54Å; L175-M186 WeakPolarHBondContact O-CA 3.33Å; M186-P197 CarbonylContact O-C 3.53Å; M186-S198 PolarHBondContact O-N 3.34Å; M186-A199 HydrophobicContact CB-CB 4.09Å; M186-A199 HydrophobicContact CE-CB 4.03Å; M186-A199 PolarHBondContact N-O 3.42Å; M186-A199 PolarHBondContact O-N 2.98Å; M186-L202 HydrophobicContact CB-CD1 4.34Å; M186-L202 HydrophobicContact CB-CD2 3.92Å |
| 187 | H | 95.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 142.8 | 175.9 | -69.8 | -118.3 | 0 | 0 | 0 | 110.5 | I131 V174 L175 T177 D194 | I131-H187 HydrophobicContact CG2-CB 4.2Å; I131-H187 VanDerWaalsContact CG2-ND1 3.32Å; I131-H187 WeakPolarHBondContact CG2-ND1 3.49Å; V174-H187 WeakPolarHBondContact CA-O 3.21Å; L175-H187 HydrophobicContact CD2-CB 4.25Å; L175-H187 HydrophobicContact CG-CB 4.21Å; L175-H187 PolarHBondContact N-O 2.98Å; L175-H187 PolarHBondContact O-N 3.17Å; T177-H187 PolarHBondContact OG1-NE2 3.35Å; H187-D194 IonicContact CE1-OD2 2.87Å; H187-D194 IonicContact CG-OD1 3.07Å; H187-D194 IonicContact ND1-OD1 2.67Å; H187-D194 PolarHBondContact ND1-OD1 2.83Å; H187-D194 IonicContact ND1-OD2 3.68Å; H187-D194 PolarHBondContact ND1-OD2 3.44Å; H187-D194 VanDerWaalsContact ND1-OD2 3.15Å |
| 188 | I | 95.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 131.8 | 171.1 | -66 | 173.9 | 0 | 0 | 0 | 108 | I68 F98 I100 I172 G173 I190 M195 | I68-I188 HydrophobicContact CG2-CD1 4.1Å; I68-I188 HydrophobicContact CG2-CG1 4.27Å; I68-I188 HydrophobicContact CG2-CG2 4.34Å; F98-I188 HydrophobicContact CB-CD1 4.09Å; F98-I188 HydrophobicContact CD2-CD1 4.22Å; F98-I188 HydrophobicContact CG-CD1 4.45Å; I100-I188 HydrophobicContact CD1-CD1 4.35Å; I100-I188 HydrophobicContact CD1-CG2 3.8Å; I172-I188 HydrophobicContact CG2-CG2 4.44Å; G173-I188 CarbonylContact O-C 3.47Å; G173-I188 WeakPolarHBondContact O-CA 3.25Å; I188-I190 HydrophobicContact CG2-CG1 4.07Å; I188-M195 HydrophobicContact CB-CB 4.42Å; I188-M195 HydrophobicContact CB-CG 4.43Å; I188-M195 HydrophobicContact CG2-CG 4.31Å; I188-M195 WeakPolarHBondContact O-CB 3.38Å; I188-M195 VanDerWaalsContact O-CG 3.25Å; I188-M195 WeakPolarHBondContact O-CG 3.5Å; I188-M195 PolarHBondContact O-N 3.27Å |
| 189 | V | 93.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129.4 | 176.6 | 179 | 0 | 0 | 0 | 0 | 108.9 | I50 L129 I131 L141 I172 G173 L175 E193 | I50-V189 HydrophobicContact CD1-CB 4Å; I50-V189 HydrophobicContact CD1-CG1 4.45Å; I50-V189 HydrophobicContact CD1-CG2 3.9Å; L129-V189 HydrophobicContact CD2-CG1 3.8Å; L129-V189 HydrophobicContact CD2-CG2 4.11Å; I131-V189 HydrophobicContact CD1-CG2 3.53Å; L141-V189 HydrophobicContact CD1-CG1 4.18Å; L141-V189 HydrophobicContact CD2-CG1 4.32Å; I172-V189 CarbonylContact C-O 3.57Å; I172-V189 WeakPolarHBondContact CA-O 3.39Å; G173-V189 PolarHBondContact N-O 3.45Å; G173-V189 PolarHBondContact O-N 2.78Å; L175-V189 HydrophobicContact CD2-CG2 3.78Å; V189-E193 CarbonylContact C-O 3.57Å; V189-E193 VanDerWaalsContact CA-O 3.31Å; V189-E193 WeakPolarHBondContact CA-O 3.25Å |
| 190 | I | 91.1 | Very high | 92.4 | Very high | 15 Ų | 15 | 32.3 Ų | 32.3 | 8% | 0.077 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 116.6 | 176.5 | -55.7 | 176.9 | 0 | 0 | 0 | 108.1 | I100 P165 I188 G192 E193 M195 | I100-I190 HydrophobicContact CG2-CD1 3.75Å; I100-I190 HydrophobicContact CG2-CG1 4.45Å; P165-I190 HydrophobicContact CB-CG2 4.17Å; I188-I190 HydrophobicContact CG2-CG1 4.07Å; I190-G192 PolarHBondContact O-N 3.31Å; I190-G192 VanDerWaalsContact O-N 3.14Å; I190-E193 PolarHBondContact N-O 3Å; I190-E193 WeakPolarHBondContact O-CB 3.26Å; I190-E193 PolarHBondContact O-N 2.85Å; I190-M195 HydrophobicContact CB-CE 4.14Å; I190-M195 HydrophobicContact CD1-CG 3.86Å; I190-M195 HydrophobicContact CD1-SD 3.81Å; I190-M195 HydrophobicContact CG1-CE 4.43Å; I190-M195 HydrophobicContact CG1-CG 3.97Å; I190-M195 HydrophobicContact CG1-SD 4.24Å |
| 191 | N | 88.1 | Confident | 92.5 | Very high | 27 Ų | 27 | 28 Ų | 28 | 14% | 0.144 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 44.2 | 176.2 | -67.6 | -35.7 | 0 | 0 | 0 | 113.5 | V142 S170 R171 E193 | V142-N191 WeakPolarHBondContact CG2-O 3.02Å; S170-N191 VanDerWaalsContact CA-OD1 3.28Å; S170-N191 WeakPolarHBondContact CA-OD1 3.32Å; S170-N191 PolarHBondContact OG-ND2 3.37Å; R171-N191 PolarHBondContact N-OD1 2.85Å; R171-N191 PolarHBondContact O-N 3.18Å; N191-E193 VanDerWaalsContact C-N 3.31Å; N191-E193 PolarHBondContact O-N 3.11Å |
| 192 | G | 87.1 | Confident | 92.7 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 9.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R138 L141 I190 | R138-G192 PolarHBondContact NH1-O 3.39Å; L141-G192 PolarHBondContact O-N 2.86Å; I190-G192 PolarHBondContact O-N 3.31Å; I190-G192 VanDerWaalsContact O-N 3.14Å |
| 193 | E | 87.4 | Confident | 92.8 | Very high | 103 Ų | 103 | 21.8 Ų | 21.8 | 48% | 0.481 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 130.1 | 170.7 | -168.2 | 178.3 | 168.6 | 0 | 0 | 109.9 | V189 I190 N191 M195 | V189-E193 CarbonylContact C-O 3.57Å; V189-E193 VanDerWaalsContact CA-O 3.31Å; V189-E193 WeakPolarHBondContact CA-O 3.25Å; I190-E193 PolarHBondContact N-O 3Å; I190-E193 WeakPolarHBondContact O-CB 3.26Å; I190-E193 PolarHBondContact O-N 2.85Å; N191-E193 VanDerWaalsContact C-N 3.31Å; N191-E193 PolarHBondContact O-N 3.11Å; E193-M195 HydrophobicContact CB-CE 3.56Å; E193-M195 HydrophobicContact CG-CE 3.48Å; E193-M195 VanDerWaalsContact CG-CE 3.48Å; E193-M195 VanDerWaalsContact O-CE 3.26Å; E193-M195 WeakPolarHBondContact O-CE 3.15Å |
| 194 | D | 90.5 | Very high | 92.5 | Very high | 28 Ų | 28 | 23.1 Ų | 23.1 | 15% | 0.15 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 124.4 | 171.8 | 178.6 | 28.4 | 0 | 0 | 0 | 110 | L129 I131 H187 G196 | L129-D194 HydrophobicContact CD1-CB 4.23Å; L129-D194 HydrophobicContact CD2-CB 4.32Å; I131-D194 HydrophobicContact CD1-CB 3.99Å; I131-D194 HydrophobicContact CG1-CB 3.91Å; H187-D194 IonicContact CE1-OD2 2.87Å; H187-D194 IonicContact CG-OD1 3.07Å; H187-D194 IonicContact ND1-OD1 2.67Å; H187-D194 PolarHBondContact ND1-OD1 2.83Å; H187-D194 IonicContact ND1-OD2 3.68Å; H187-D194 PolarHBondContact ND1-OD2 3.44Å; H187-D194 VanDerWaalsContact ND1-OD2 3.15Å; D194-G196 VanDerWaalsContact CG-N 3.29Å; D194-G196 PolarHBondContact O-N 2.94Å; D194-G196 PolarHBondContact OD1-N 2.9Å |
| 195 | M | 89 | Confident | 92.2 | Very high | 31 Ų | 31 | 27.9 Ų | 27.9 | 15% | 0.153 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -8.5 | 175.8 | -58.2 | -60.3 | 103.6 | 0 | 0 | 111.6 | R106 I188 I190 E193 | R106-M195 WeakPolarHBondContact CD-O 3.37Å; R106-M195 WeakPolarHBondContact CG-O 3.31Å; R106-M195 PolarHBondContact NE-O 3.35Å; I188-M195 HydrophobicContact CB-CB 4.42Å; I188-M195 HydrophobicContact CB-CG 4.43Å; I188-M195 HydrophobicContact CG2-CG 4.31Å; I188-M195 WeakPolarHBondContact O-CB 3.38Å; I188-M195 VanDerWaalsContact O-CG 3.25Å; I188-M195 WeakPolarHBondContact O-CG 3.5Å; I188-M195 PolarHBondContact O-N 3.27Å; I190-M195 HydrophobicContact CB-CE 4.14Å; I190-M195 HydrophobicContact CD1-CG 3.86Å; I190-M195 HydrophobicContact CD1-SD 3.81Å; I190-M195 HydrophobicContact CG1-CE 4.43Å; I190-M195 HydrophobicContact CG1-CG 3.97Å; I190-M195 HydrophobicContact CG1-SD 4.24Å; E193-M195 HydrophobicContact CB-CE 3.56Å; E193-M195 HydrophobicContact CG-CE 3.48Å; E193-M195 VanDerWaalsContact CG-CE 3.48Å; E193-M195 VanDerWaalsContact O-CE 3.26Å; E193-M195 WeakPolarHBondContact O-CE 3.15Å |
| 196 | G | 90.3 | Very high | 92.1 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 5% | 0.052 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 82.7 | -175.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D194 S198 | D194-G196 VanDerWaalsContact CG-N 3.29Å; D194-G196 PolarHBondContact O-N 2.94Å; D194-G196 PolarHBondContact OD1-N 2.9Å; G196-S198 PolarHBondContact O-N 3.41Å; G196-S198 PolarHBondContact O-OG 3.47Å |
| 197 | P | 91.9 | Very high | 92.1 | Very high | 20 Ų | 20 | 35.7 Ų | 35.7 | 13% | 0.13 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 105.1 | -177.5 | -25.5 | 36.2 | 0 | 0 | 0 | 111.7 | I107 D185 M186 R200 | I107-P197 PolarHBondContact N-O 3.23Å; I107-P197 VanDerWaalsContact N-O 3.11Å; D185-P197 HydrophobicContact CB-CB 4.32Å; M186-P197 CarbonylContact O-C 3.53Å; P197-R200 HydrophobicContact CB-CG 4.09Å |
| 198 | S | 91.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -28.7 | 179.8 | -58.6 | 0 | 0 | 0 | 0 | 113 | F98 N105 I107 M186 G196 | F98-S198 WeakPolarHBondContact CZ-O 3.34Å; N105-S198 VanDerWaalsContact O-CA 3.22Å; N105-S198 WeakPolarHBondContact O-CA 3.46Å; I107-S198 WeakPolarHBondContact CD1-O 3.21Å; M186-S198 PolarHBondContact O-N 3.34Å; G196-S198 PolarHBondContact O-N 3.41Å; G196-S198 PolarHBondContact O-OG 3.47Å |
| 199 | A | 93.5 | Very high | 92.3 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 5% | 0.05 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 146.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | W96 F98 D185 M186 L202 | W96-A199 HydrophobicContact CB-CB 3.97Å; W96-A199 HydrophobicContact CG-CB 3.95Å; F98-A199 HydrophobicContact CE2-CB 4.23Å; F98-A199 HydrophobicContact CZ-CB 4.41Å; D185-A199 CarbonylContact C-O 3.57Å; D185-A199 WeakPolarHBondContact CA-O 3.45Å; M186-A199 HydrophobicContact CB-CB 4.09Å; M186-A199 HydrophobicContact CE-CB 4.03Å; M186-A199 PolarHBondContact N-O 3.42Å; M186-A199 PolarHBondContact O-N 2.98Å; A199-L202 HydrophobicContact CB-CD1 3.64Å |
| 200 | R | 94.4 | Very high | 92.5 | Very high | 100 Ų | 100 | 36.7 Ų | 36.7 | 38% | 0.377 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 159.2 | 179.6 | -62.1 | -172.5 | 179.7 | -102.7 | 11.9 | 110.2 | I107 D185 P197 L202 | I107-R200 HydrophobicContact CD1-CG 4.24Å; D185-R200 WeakPolarHBondContact OD1-CA 3.42Å; D185-R200 WeakPolarHBondContact OD1-CB 3.48Å; D185-R200 WeakPolarHBondContact OD1-CG 3.17Å; D185-R200 IonicContact OD2-CZ 3.61Å; D185-R200 IonicContact OD2-NH1 2.66Å; D185-R200 PolarHBondContact OD2-NH1 2.62Å; P197-R200 HydrophobicContact CB-CG 4.09Å; R200-L202 VanDerWaalsContact C-N 3.33Å |
| 201 | G | 94.4 | Very high | 92.9 | Very high | 45 Ų | 45 | 36 Ų | 36 | 46% | 0.464 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 75.6 | 22.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A184 | A184-G201 PolarHBondContact O-N 3.1Å; A184-G201 VanDerWaalsContact O-N 3.16Å |
| 202 | L | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 142.8 | 177 | -82.5 | 67.6 | 0 | 0 | 0 | 109.9 | L70 W96 T183 A184 M186 A199 R200 T204 L208 | L70-L202 HydrophobicContact CB-CD2 4.38Å; L70-L202 HydrophobicContact CD1-CD2 3.86Å; W96-L202 HydrophobicContact CD2-CD1 4.05Å; W96-L202 HydrophobicContact CD2-CD2 4.03Å; W96-L202 HydrophobicContact CD2-CG 3.73Å; W96-L202 HydrophobicContact CE3-CD2 3.75Å; W96-L202 HydrophobicContact CE3-CG 3.77Å; W96-L202 HydrophobicContact CG-CD1 4.23Å; W96-L202 HydrophobicContact CG-CG 4.37Å; W96-L202 HydrophobicContact CH2-CG 4.1Å; W96-L202 HydrophobicContact CZ2-CG 4.02Å; W96-L202 HydrophobicContact CZ3-CD2 4.15Å; W96-L202 HydrophobicContact CZ3-CG 3.96Å; T183-L202 CarbonylContact C-O 3.57Å; T183-L202 WeakPolarHBondContact CA-O 3.39Å; T183-L202 WeakPolarHBondContact CB-O 3.43Å; A184-L202 HydrophobicContact CB-CB 4.19Å; A184-L202 PolarHBondContact N-O 2.93Å; A184-L202 WeakPolarHBondContact O-CB 3.26Å; A184-L202 PolarHBondContact O-N 2.85Å; M186-L202 HydrophobicContact CB-CD1 4.34Å; M186-L202 HydrophobicContact CB-CD2 3.92Å; A199-L202 HydrophobicContact CB-CD1 3.64Å; R200-L202 VanDerWaalsContact C-N 3.33Å; L202-T204 PolarHBondContact O-N 2.79Å; L202-L208 HydrophobicContact CB-CD1 4.38Å; L202-L208 HydrophobicContact CD2-CD1 4.1Å |
| 203 | P | 93.9 | Very high | 93.9 | Very high | 34 Ų | 34 | 34.6 Ų | 34.6 | 22% | 0.221 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 121.8 | 179.2 | 29.6 | -33.1 | 0 | 0 | 0 | 110 | W96 | W96-P203 HydrophobicContact CH2-CG 3.9Å |
| 204 | T | 89.4 | Confident | 94.4 | Very high | 62 Ų | 62 | 29.7 Ų | 29.7 | 38% | 0.38 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -89.9 | -10.2 | 175 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | G182 T183 A184 L202 R206 | G182-T204 PolarHBondContact O-OG1 2.81Å; T183-T204 VanDerWaalsContact C-CG2 3.45Å; A184-T204 HydrophobicContact CB-CG2 3.62Å; L202-T204 PolarHBondContact O-N 2.79Å; T204-R206 PolarHBondContact O-N 3.43Å |
| 205 | A | 90.2 | Very high | 94.5 | Very high | 100 Ų | 100 | 29.5 Ų | 29.5 | 83% | 0.826 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -76.1 | -13.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 206 | R | 92.7 | Very high | 94.6 | Very high | 97 Ų | 97 | 28.1 Ų | 28.1 | 37% | 0.366 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -116.3 | 148.8 | 177.2 | -71.3 | -173.3 | -69.6 | 176.4 | -7.1 | 110.3 | A72 D94 T204 | A72-R206 HydrophobicContact CB-CB 4.37Å; D94-R206 IonicContact OD1-CZ 3.73Å; D94-R206 IonicContact OD1-NH2 2.89Å; D94-R206 PolarHBondContact OD1-NH2 3.16Å; D94-R206 IonicContact OD2-CZ 3.44Å; D94-R206 IonicContact OD2-NH1 2.68Å; D94-R206 PolarHBondContact OD2-NH1 2.87Å; D94-R206 IonicContact OD2-NH2 3.29Å; D94-R206 PolarHBondContact OD2-NH2 2.91Å; T204-R206 PolarHBondContact O-N 3.43Å |
| 207 | P | 96.4 | Very high | 94.7 | Very high | 73 Ų | 73 | 28.8 Ų | 28.8 | 47% | 0.474 | 17% | 0.173 | S | C | . | . | trans | -60.9 | 141.6 | 172.2 | -17.8 | 30.5 | 0 | 0 | 0 | 111 | P44 A72 Y209 | P44-P207 HydrophobicContact CB-CB 3.52Å; P44-P207 HydrophobicContact CG-CB 4Å; A72-P207 WeakPolarHBondContact CA-O 3.34Å; P207-Y209 HydrophobicContact CB-CE2 4.18Å | ||
| 208 | L | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -115.2 | 123.4 | 177.5 | -65.6 | 174.3 | 0 | 0 | 0 | 109.9 | P44 L45 L70 T71 A72 W96 Y176 L202 | P44-L208 CarbonylContact C-O 3.52Å; P44-L208 WeakPolarHBondContact CA-O 3.25Å; L45-L208 PolarHBondContact N-O 2.94Å; L70-L208 HydrophobicContact CD1-CD1 4.34Å; T71-L208 CarbonylContact O-C 3.53Å; T71-L208 WeakPolarHBondContact O-CA 3.4Å; A72-L208 HydrophobicContact CB-CD2 3.87Å; W96-L208 HydrophobicContact CZ3-CD2 4.06Å; Y176-L208 HydrophobicContact CD1-CB 4.37Å; Y176-L208 HydrophobicContact CD1-CD1 3.89Å; Y176-L208 HydrophobicContact CD2-CD1 4.27Å; Y176-L208 HydrophobicContact CE1-CB 4.12Å; Y176-L208 HydrophobicContact CE1-CD1 4.05Å; Y176-L208 HydrophobicContact CE2-CD1 4.4Å; Y176-L208 HydrophobicContact CG-CD1 3.99Å; L202-L208 HydrophobicContact CB-CD1 4.38Å; L202-L208 HydrophobicContact CD2-CD1 4.1Å | ||
| 209 | Y | 98.5 | Very high | 95.1 | Very high | 23 Ų | 23 | 29.6 Ų | 29.6 | 9% | 0.09 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 145 | 177 | -64.5 | -94.6 | 0 | 0 | 0 | 110.6 | P44 L70 T71 H73 D74 P75 P207 | P44-Y209 HydrophobicContact CB-CD1 4.39Å; P44-Y209 HydrophobicContact CB-CE1 4.09Å; P44-Y209 HydrophobicContact CB-CE2 4.28Å; P44-Y209 HydrophobicContact CG-CE1 4.35Å; P44-Y209 VanDerWaalsContact N-CE1 3.32Å; L70-Y209 CarbonylContact C-O 3.52Å; L70-Y209 VanDerWaalsContact CA-O 3.25Å; L70-Y209 WeakPolarHBondContact CA-O 3.49Å; T71-Y209 PolarHBondContact N-O 3.23Å; T71-Y209 PolarHBondContact O-N 2.9Å; H73-Y209 WeakPolarHBondContact O-CD2 3.5Å; D74-Y209 HydrophobicContact CB-CE2 4.27Å; P75-Y209 HydrophobicContact CG-CD1 3.88Å; P75-Y209 HydrophobicContact CG-CE1 4.29Å; P75-Y209 HydrophobicContact CG-CG 4.02Å; P207-Y209 HydrophobicContact CB-CE2 4.18Å |
| 210 | A | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 141.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | F40 S41 L45 F51 V174 | F40-A210 CarbonylContact C-O 3.51Å; F40-A210 WeakPolarHBondContact CA-O 3.46Å; S41-A210 PolarHBondContact N-O 3.22Å; S41-A210 PolarHBondContact OG-N 3.44Å; L45-A210 HydrophobicContact CD1-CB 4.11Å; L45-A210 HydrophobicContact CD2-CB 4.42Å; L45-A210 HydrophobicContact CG-CB 4.42Å; F51-A210 HydrophobicContact CB-CB 3.49Å; F51-A210 VanDerWaalsContact CB-CB 3.49Å; F51-A210 HydrophobicContact CD1-CB 3.55Å; F51-A210 HydrophobicContact CD2-CB 3.93Å; F51-A210 HydrophobicContact CE1-CB 4.24Å; F51-A210 HydrophobicContact CG-CB 3.36Å; V174-A210 HydrophobicContact CG1-CB 4.07Å |
| 211 | V | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 130.4 | 173.3 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | L38 C39 F40 I68 G69 T71 L89 V97 | L38-V211 HydrophobicContact CD2-CG1 3.52Å; C39-V211 WeakPolarHBondContact O-CA 3.36Å; F40-V211 HydrophobicContact CD1-CG2 3.96Å; F40-V211 HydrophobicContact CE1-CG1 4.29Å; F40-V211 HydrophobicContact CE1-CG2 4.01Å; I68-V211 CarbonylContact C-O 3.4Å; I68-V211 VanDerWaalsContact CA-O 3.28Å; I68-V211 WeakPolarHBondContact CA-O 3.34Å; I68-V211 WeakPolarHBondContact CG1-O 3.47Å; G69-V211 PolarHBondContact N-O 3.15Å; G69-V211 PolarHBondContact O-N 3.42Å; T71-V211 HydrophobicContact CG2-CG2 3.43Å; T71-V211 VanDerWaalsContact CG2-CG2 3.43Å; L89-V211 HydrophobicContact CD2-CG1 3.77Å; L89-V211 HydrophobicContact CD2-CG2 4.22Å; V97-V211 HydrophobicContact CG2-CB 3.94Å; V97-V211 HydrophobicContact CG2-CG1 3.89Å; V97-V211 HydrophobicContact CG2-CG2 4.38Å |
| 212 | V | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 119.4 | 172.8 | -176.4 | 0 | 0 | 0 | 0 | 108.5 | F11 L38 C39 F51 V53 L66 I68 V214 V221 | F11-V212 HydrophobicContact CE1-CG2 4.33Å; L38-V212 CarbonylContact C-O 3.52Å; C39-V212 HydrophobicContact CB-CB 4.41Å; C39-V212 PolarHBondContact N-O 3.34Å; C39-V212 PolarHBondContact O-N 2.65Å; F51-V212 HydrophobicContact CD1-CG2 4.16Å; F51-V212 HydrophobicContact CE1-CG2 3.85Å; V53-V212 HydrophobicContact CG1-CG2 4.19Å; L66-V212 HydrophobicContact CD1-CG1 3.81Å; I68-V212 HydrophobicContact CD1-CG2 4.3Å; I68-V212 HydrophobicContact CG1-CG2 4.14Å; V212-V214 HydrophobicContact CG1-CG2 4.45Å; V212-V221 HydrophobicContact CG1-CG2 4.27Å |
| 213 | D | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 105.5 | 173.2 | -169 | -4 | 0 | 0 | 0 | 108.9 | L38 L66 R67 S85 F215 | L38-D213 HydrophobicContact CD2-CB 4.18Å; L66-D213 VanDerWaalsContact CD1-O 3.28Å; L66-D213 WeakPolarHBondContact CD1-O 3.48Å; R67-D213 HydrophobicContact CB-CB 3.91Å; R67-D213 HydrophobicContact CG-CB 4.37Å; R67-D213 PolarHBondContact N-O 3.21Å; R67-D213 IonicContact NH1-OD2 3.34Å; R67-D213 PolarHBondContact NH1-OD2 3.01Å; R67-D213 VanDerWaalsContact NH1-OD2 3.14Å; R67-D213 PolarHBondContact O-N 3.18Å; S85-D213 WeakPolarHBondContact CB-OD2 2.83Å; S85-D213 PolarHBondContact N-OD2 3.24Å; S85-D213 PolarHBondContact OG-OD2 3.17Å; D213-F215 HydrophobicContact CB-CB 4.47Å; D213-F215 PolarHBondContact O-N 3.16Å |
| 214 | V | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -73.4 | 71.9 | 176.2 | -171.1 | 0 | 0 | 0 | 0 | 109.4 | A28 R30 G37 V212 T218 V221 | A28-V214 HydrophobicContact CB-CG2 4.47Å; R30-V214 HydrophobicContact CB-CG1 3.95Å; R30-V214 WeakPolarHBondContact CD-O 3.33Å; R30-V214 PolarHBondContact NH1-O 3.04Å; G37-V214 PolarHBondContact O-N 2.93Å; V212-V214 HydrophobicContact CG1-CG2 4.45Å; V214-T218 HydrophobicContact CG1-CG2 4.25Å; V214-V221 HydrophobicContact CG2-CG2 3.81Å | ||
| 215 | F | 93.6 | Very high | 95.9 | Very high | 24 Ų | 24 | 25 Ų | 25 | 11% | 0.105 | 14% | 0.135 | C | C | . | . | trans | -101.3 | 146.9 | -166.1 | -175.6 | -107.2 | 0 | 0 | 0 | 113.5 | R30 F34 Y84 D213 S217 T218 | R30-F215 VanDerWaalsContact NH1-C 3.31Å; F34-F215 AromaticContact CD2-CE2 3.8Å; F34-F215 HydrophobicContact CD2-CE2 3.8Å; F34-F215 HydrophobicContact CD2-CZ 4.18Å; F34-F215 HydrophobicContact CE2-CE2 4.24Å; F34-F215 VanDerWaalsContact O-CD2 3.25Å; F34-F215 WeakPolarHBondContact O-CD2 3.32Å; Y84-F215 HydrophobicContact CD1-CD2 4.45Å; Y84-F215 AromaticContact CD1-CE2 3.92Å; Y84-F215 HydrophobicContact CD1-CE2 3.92Å; Y84-F215 AromaticContact CE1-CE2 3.89Å; Y84-F215 HydrophobicContact CE1-CE2 3.89Å; D213-F215 HydrophobicContact CB-CB 4.47Å; D213-F215 PolarHBondContact O-N 3.16Å; F215-S217 PolarHBondContact O-N 3.03Å; F215-T218 PolarHBondContact O-N 3.37Å; F215-T218 VanDerWaalsContact O-N 3.15Å | ||
| 216 | A | 91.1 | Very high | 95.9 | Very high | 2 Ų | 2 | 21 Ų | 21 | 2% | 0.017 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | -117.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R30 F34 W62 C63 T218 | R30-A216 VanDerWaalsContact CZ-O 3.25Å; R30-A216 VanDerWaalsContact NH1-N 3.16Å; R30-A216 PolarHBondContact NH1-O 2.79Å; R30-A216 PolarHBondContact NH2-O 2.78Å; F34-A216 PolarHBondContact O-N 2.81Å; F34-A216 VanDerWaalsContact O-N 3.11Å; W62-A216 HydrophobicContact CB-CB 4.36Å; C63-A216 WeakPolarHBondContact O-CB 3.18Å; A216-T218 PolarHBondContact O-N 2.79Å |
| 217 | S | 93.3 | Very high | 95.5 | Very high | 18 Ų | 18 | 22.6 Ų | 22.6 | 13% | 0.126 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -9.9 | -174.1 | 69.1 | 0 | 0 | 0 | 0 | 114.5 | K58 E59 W62 G64 F215 | K58-S217 CarbonylContact C-O 3.47Å; K58-S217 WeakPolarHBondContact CA-O 3.4Å; K58-S217 WeakPolarHBondContact CB-O 3.44Å; K58-S217 WeakPolarHBondContact CD-O 3.35Å; K58-S217 WeakPolarHBondContact CE-O 3.37Å; K58-S217 WeakPolarHBondContact CE-OG 3.42Å; K58-S217 PolarHBondContact NZ-OG 3.15Å; E59-S217 PolarHBondContact N-O 3.02Å; W62-S217 WeakPolarHBondContact O-CB 3.36Å; G64-S217 PolarHBondContact O-OG 2.86Å; F215-S217 PolarHBondContact O-N 3.03Å |
| 218 | T | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 122.6 | 177.3 | -51.3 | 0 | 0 | 0 | 0 | 109.5 | R30 I55 K58 L66 V214 F215 A216 V221 | R30-T218 PolarHBondContact NH1-O 2.95Å; I55-T218 HydrophobicContact CG1-CG2 4.35Å; I55-T218 HydrophobicContact CG2-CG2 4.09Å; K58-T218 PolarHBondContact NZ-OG1 3.24Å; L66-T218 HydrophobicContact CD1-CG2 4.01Å; V214-T218 HydrophobicContact CG1-CG2 4.25Å; F215-T218 PolarHBondContact O-N 3.37Å; F215-T218 VanDerWaalsContact O-N 3.15Å; A216-T218 PolarHBondContact O-N 2.79Å; T218-V221 HydrophobicContact CG2-CG1 3.87Å |
| 219 | K | 96.4 | Very high | 94 | Very high | 38 Ų | 38 | 23.3 Ų | 23.3 | 17% | 0.165 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -45.4 | -178 | -176 | 56.5 | 162.2 | -173.9 | 0 | 112.3 | R30 E57 E59 | R30-K219 PolarHBondContact N-O 2.91Å; R30-K219 WeakPolarHBondContact O-CD 3.3Å; R30-K219 WeakPolarHBondContact O-CE 3.44Å; R30-K219 PolarHBondContact O-NZ 2.77Å; E57-K219 HydrophobicContact CB-CB 3.84Å; E57-K219 HydrophobicContact CB-CG 4.22Å; E57-K219 PolarHBondContact O-N 3.03Å; E59-K219 HydrophobicContact CB-CB 4.18Å; E59-K219 HydrophobicContact CB-CD 4.32Å; E59-K219 VanDerWaalsContact OE2-CD 3.28Å; E59-K219 WeakPolarHBondContact OE2-CD 3.37Å; E59-K219 IonicContact OE2-NZ 2.93Å; E59-K219 PolarHBondContact OE2-NZ 3.09Å |
| 220 | S | 97.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 150.6 | 179.3 | 65.5 | 0 | 0 | 0 | 0 | 112.1 | A28 T29 E56 E57 | A28-S220 VanDerWaalsContact O-CA 3.23Å; A28-S220 WeakPolarHBondContact O-CA 3.13Å; A28-S220 WeakPolarHBondContact O-CB 3.12Å; T29-S220 WeakPolarHBondContact OG1-CB 2.78Å; E56-S220 PolarHBondContact N-O 2.84Å; E57-S220 WeakPolarHBondContact CB-OG 3.43Å; E57-S220 WeakPolarHBondContact CG-OG 3.47Å; E57-S220 PolarHBondContact N-O 3.17Å; E57-S220 PolarHBondContact N-OG 2.84Å; E57-S220 PolarHBondContact O-N 3.03Å |
| 221 | V | 98.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 149.6 | 176.8 | -66.8 | 0 | 0 | 0 | 0 | 110.2 | F11 Q27 A28 V53 E54 I55 L66 V212 V214 T218 | F11-V221 HydrophobicContact CE2-CG2 4.4Å; F11-V221 HydrophobicContact CZ-CG2 3.79Å; Q27-V221 WeakPolarHBondContact CA-O 3.25Å; A28-V221 HydrophobicContact CB-CG2 4.11Å; A28-V221 PolarHBondContact N-O 2.63Å; A28-V221 PolarHBondContact O-N 2.85Å; V53-V221 HydrophobicContact CB-CB 4.23Å; E54-V221 CarbonylContact O-C 3.53Å; E54-V221 VanDerWaalsContact O-CA 3.23Å; E54-V221 WeakPolarHBondContact O-CA 3.28Å; I55-V221 HydrophobicContact CG1-CG1 4.28Å; L66-V221 HydrophobicContact CD1-CG1 4.05Å; V212-V221 HydrophobicContact CG1-CG2 4.27Å; V214-V221 HydrophobicContact CG2-CG2 3.81Å; T218-V221 HydrophobicContact CG2-CG1 3.87Å |
| 222 | R | 97.9 | Very high | 92 | Very high | 67 Ų | 67 | 32 Ų | 32 | 25% | 0.253 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 131.7 | 175.2 | 179.7 | 179.3 | -58.4 | -73.1 | -10.8 | 111.3 | T26 Q27 V53 E54 E56 | T26-R222 CarbonylContact O-C 3.41Å; T26-R222 WeakPolarHBondContact O-CA 3.36Å; T26-R222 WeakPolarHBondContact O-CG 3.48Å; T26-R222 PolarHBondContact OG1-NH1 3.13Å; Q27-R222 VanDerWaalsContact NE2-NH2 3.16Å; V53-R222 CarbonylContact C-O 3.5Å; V53-R222 VanDerWaalsContact CA-O 3.27Å; V53-R222 WeakPolarHBondContact CA-O 3.04Å; E54-R222 PolarHBondContact N-O 2.67Å; E54-R222 PolarHBondContact O-N 2.56Å; E56-R222 HydrophobicContact CG-CB 3.81Å; E56-R222 IonicContact OE1-CZ 2.86Å; E56-R222 IonicContact OE1-NE 3.46Å; E56-R222 PolarHBondContact OE1-NE 2.93Å; E56-R222 IonicContact OE1-NH2 2.83Å; E56-R222 PolarHBondContact OE1-NH2 3.27Å; E56-R222 IonicContact OE2-CZ 3.14Å; E56-R222 IonicContact OE2-NE 3.45Å; E56-R222 PolarHBondContact OE2-NE 3.41Å; E56-R222 IonicContact OE2-NH2 3.81Å; E56-R222 PolarHBondContact OE2-NH2 3.09Å |
| 223 | V | 97.3 | Very high | 91.5 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 4% | 0.036 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 131.2 | 170.5 | -174.9 | 0 | 0 | 0 | 0 | 110.1 | T9 F11 T26 F51 L52 V53 | T9-V223 WeakPolarHBondContact O-CG1 3.39Å; T9-V223 WeakPolarHBondContact OG1-CG1 3.48Å; F11-V223 HydrophobicContact CD1-CG2 4.33Å; F11-V223 HydrophobicContact CD2-CG2 3.73Å; F11-V223 HydrophobicContact CE1-CG2 4.04Å; F11-V223 HydrophobicContact CE2-CG2 3.42Å; F11-V223 VanDerWaalsContact CE2-CG2 3.42Å; F11-V223 HydrophobicContact CG-CG2 4.17Å; F11-V223 HydrophobicContact CZ-CG2 3.57Å; T26-V223 PolarHBondContact O-N 3.33Å; F51-V223 HydrophobicContact CE1-CG2 4.28Å; F51-V223 HydrophobicContact CE2-CG1 4.48Å; F51-V223 HydrophobicContact CE2-CG2 4.33Å; F51-V223 HydrophobicContact CZ-CG2 3.71Å; L52-V223 CarbonylContact O-C 3.56Å; L52-V223 WeakPolarHBondContact O-CA 3.31Å; V53-V223 HydrophobicContact CG1-CG2 4.41Å |
| 224 | I | 94.3 | Very high | 90.9 | Very high | 25 Ų | 25 | 41.3 Ų | 41.3 | 13% | 0.128 | 21% | 0.207 | C | C | . | . | trans | -105.4 | 121.5 | 176.2 | -57.4 | -58.7 | 0 | 0 | 0 | 108.5 | L52 E54 V226 | L52-I224 HydrophobicContact CB-CB 4.39Å; L52-I224 HydrophobicContact CD2-CB 3.86Å; L52-I224 HydrophobicContact CD2-CG2 3.89Å; L52-I224 HydrophobicContact CG-CB 4.07Å; L52-I224 PolarHBondContact O-N 3.36Å; E54-I224 HydrophobicContact CB-CD1 3.81Å; E54-I224 HydrophobicContact CB-CG1 3.82Å; I224-V226 PolarHBondContact O-N 3.29Å | ||
| 225 | Q | 92.6 | Very high | 90.4 | Very high | 51 Ų | 51 | 41.6 Ų | 41.6 | 24% | 0.238 | 21% | 0.209 | C | C | . | . | trans | -69.8 | 124.4 | 176 | -56 | -51.3 | -36.3 | 0 | 0 | 110.4 | D8 T9 | D8-Q225 VanDerWaalsContact CA-OE1 3.32Å; T9-Q225 PolarHBondContact O-NE2 3.39Å; T9-Q225 PolarHBondContact OG1-OE1 2.9Å; T9-Q225 VanDerWaalsContact OG1-OE1 3.14Å | ||
| 226 | V | 89.6 | Confident | 90.2 | Very high | 18 Ų | 18 | 43.7 Ų | 43.7 | 11% | 0.109 | 22% | 0.221 | C | C | . | . | trans | -108.9 | 103.1 | 178 | -177.1 | 0 | 0 | 0 | 0 | 108.7 | I50 L52 I136 K140 I224 Y228 | I50-V226 HydrophobicContact CG2-CB 4.03Å; I50-V226 HydrophobicContact CG2-CG1 4.12Å; I50-V226 HydrophobicContact CG2-CG2 3.77Å; L52-V226 HydrophobicContact CB-CG2 4.07Å; L52-V226 HydrophobicContact CD2-CG2 3.63Å; I136-V226 HydrophobicContact CG2-CG1 3.78Å; K140-V226 HydrophobicContact CB-CG2 4.39Å; I224-V226 PolarHBondContact O-N 3.29Å; V226-Y228 HydrophobicContact CB-CE2 4.47Å; V226-Y228 HydrophobicContact CG1-CE2 4.25Å; V226-Y228 WeakPolarHBondContact O-CD2 3.3Å; V226-Y228 PolarHBondContact O-N 3.43Å | ||
| 227 | E | 85.4 | Confident | 90.1 | Very high | 130 Ų | 130 | 46.5 Ų | 46.5 | 61% | 0.607 | 24% | 0.239 | S | C | * | . | trans | -77.7 | 117.2 | 171.7 | -68.6 | 160.3 | -116.6 | 0 | 0 | 109.1 | K140 | K140-E227 IonicContact NZ-OE1 3.8Å; K140-E227 PolarHBondContact NZ-OE1 2.96Å | ||
| 228 | Y | 83 | Confident | 89.8 | Confident | 54 Ų | 54 | 46.3 Ų | 46.3 | 21% | 0.212 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -80.1 | 147.3 | 178.3 | -70.8 | -94.6 | 0 | 0 | 0 | 111.1 | G48 Q49 I50 V134 I136 V226 | G48-Y228 PolarHBondContact O-OH 2.69Å; Q49-Y228 VanDerWaalsContact CA-OH 3.26Å; Q49-Y228 WeakPolarHBondContact CA-OH 3.33Å; I50-Y228 WeakPolarHBondContact CG2-OH 3.19Å; I50-Y228 PolarHBondContact N-OH 3.22Å; V134-Y228 HydrophobicContact CG1-CE1 4.42Å; I136-Y228 HydrophobicContact CG1-CE1 4.2Å; V226-Y228 HydrophobicContact CB-CE2 4.47Å; V226-Y228 HydrophobicContact CG1-CE2 4.25Å; V226-Y228 WeakPolarHBondContact O-CD2 3.3Å; V226-Y228 PolarHBondContact O-N 3.43Å |
| 229 | G | 78.8 | Confident | 89.4 | Confident | 34 Ų | 34 | 48 Ų | 48 | 35% | 0.351 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 115 | -46.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y128 | Y128-G229 PolarHBondContact OH-O 2.85Š|
| 230 | F | 81.3 | Confident | 89.1 | Confident | 160 Ų | 160 | 50.2 Ų | 50.2 | 70% | 0.702 | 26% | 0.261 | S | S | * | . | trans | -138.4 | 139.2 | -174.8 | -58.5 | -79.2 | 0 | 0 | 0 | 113 | ||||
| 231 | P | 85.6 | Confident | 88.7 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 4% | 0.039 | 27% | 0.271 | C | S | . | . | trans | -62.7 | 160.4 | 164.2 | -17.6 | 30.2 | 0 | 0 | 0 | 109.5 | P127 Y128 T235 L236 | P127-P231 HydrophobicContact CB-CG 3.74Å; Y128-P231 HydrophobicContact CE1-CG 3.99Å; Y128-P231 HydrophobicContact CE2-CG 3.87Å; Y128-P231 WeakPolarHBondContact OH-CD 3.41Å; P231-T235 HydrophobicContact CB-CG2 3.77Å; P231-L236 HydrophobicContact CB-CD2 4.38Å; P231-L236 HydrophobicContact CB-CG 4.39Å; P231-L236 HydrophobicContact CG-CD2 4.18Å | ||
| 232 | S | 86.1 | Confident | 88.2 | Confident | 38 Ų | 38 | 52.6 Ų | 52.6 | 27% | 0.266 | 27% | 0.273 | S | S | . | . | trans | -57.1 | 151.8 | 172.7 | 64.8 | 0 | 0 | 0 | 0 | 111.5 | D139 Q234 T235 L236 | D139-S232 WeakPolarHBondContact OD2-CB 3.48Å; D139-S232 PolarHBondContact OD2-N 3.41Å; D139-S232 PolarHBondContact OD2-OG 2.8Å; S232-Q234 PolarHBondContact O-N 2.72Å; S232-Q234 VanDerWaalsContact O-N 3.16Å; S232-T235 WeakPolarHBondContact O-CB 3.2Å; S232-T235 PolarHBondContact O-N 3.3Å; S232-T235 PolarHBondContact OG-N 3.16Å; S232-T235 PolarHBondContact OG-OG1 3.45Å; S232-T235 VanDerWaalsContact OG-OG1 3.09Å; S232-L236 PolarHBondContact O-N 2.93Å | ||
| 233 | L | 88.1 | Confident | 87.6 | Confident | 133 Ų | 133 | 56.8 Ų | 56.8 | 70% | 0.696 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -52.1 | -38.2 | 172.3 | 179.8 | 61.4 | 0 | 0 | 0 | 111.2 | T235 L236 C237 | L233-T235 PolarHBondContact O-N 2.92Å; L233-L236 PolarHBondContact O-N 2.96Å; L233-C237 WeakPolarHBondContact O-CB 3.18Å; L233-C237 PolarHBondContact O-N 2.78Å; L233-C237 PolarHBondContact O-SG 3.08Å |
| 234 | Q | 85.8 | Confident | 87.2 | Confident | 64 Ų | 64 | 63.1 Ų | 63.1 | 30% | 0.299 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57.8 | -48.4 | 175.9 | -176.3 | -175.8 | -17.4 | 0 | 0 | 111.9 | S232 C237 R238 F263 | S232-Q234 PolarHBondContact O-N 2.72Å; S232-Q234 VanDerWaalsContact O-N 3.16Å; Q234-C237 PolarHBondContact O-N 3.47Å; Q234-R238 WeakPolarHBondContact O-CB 3.27Å; Q234-R238 PolarHBondContact O-N 3.34Å; Q234-F263 HydrophobicContact CG-CD1 4.03Å; Q234-F263 HydrophobicContact CG-CE1 3.41Å; Q234-F263 VanDerWaalsContact CG-CE1 3.41Å; Q234-F263 HydrophobicContact CG-CE2 4.42Å; Q234-F263 HydrophobicContact CG-CZ 3.66Å; Q234-F263 VanDerWaalsContact NE2-CE2 3.27Å |
| 235 | T | 86.6 | Confident | 86.9 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.6 | -44 | 175.5 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | P127 D139 P231 S232 L233 R238 L239 | P127-T235 HydrophobicContact CB-CG2 4.42Å; D139-T235 VanDerWaalsContact CB-OG1 3.31Å; D139-T235 WeakPolarHBondContact CB-OG1 3.49Å; D139-T235 PolarHBondContact OD2-OG1 3.24Å; P231-T235 HydrophobicContact CB-CG2 3.77Å; S232-T235 WeakPolarHBondContact O-CB 3.2Å; S232-T235 PolarHBondContact O-N 3.3Å; S232-T235 PolarHBondContact OG-N 3.16Å; S232-T235 PolarHBondContact OG-OG1 3.45Å; S232-T235 VanDerWaalsContact OG-OG1 3.09Å; L233-T235 PolarHBondContact O-N 2.92Å; T235-R238 WeakPolarHBondContact O-CB 3.45Å; T235-R238 PolarHBondContact O-N 3.08Å; T235-L239 HydrophobicContact CG2-CD1 4.3Å; T235-L239 WeakPolarHBondContact O-CG 3.43Å; T235-L239 PolarHBondContact O-N 3.4Å |
| 236 | L | 88.9 | Confident | 86 | Confident | 69 Ų | 69 | 66.1 Ų | 66.1 | 36% | 0.361 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 179.1 | -65.3 | 174.5 | 0 | 0 | 0 | 111.9 | P231 S232 L233 R238 L239 V240 | P231-L236 HydrophobicContact CB-CD2 4.38Å; P231-L236 HydrophobicContact CB-CG 4.39Å; P231-L236 HydrophobicContact CG-CD2 4.18Å; S232-L236 PolarHBondContact O-N 2.93Å; L233-L236 PolarHBondContact O-N 2.96Å; L236-R238 VanDerWaalsContact C-N 3.31Å; L236-R238 PolarHBondContact O-N 2.66Å; L236-L239 PolarHBondContact O-N 2.92Å; L236-V240 WeakPolarHBondContact O-CG2 3.42Å; L236-V240 PolarHBondContact O-N 3.28Å |
| 237 | C | 89.1 | Confident | 85.7 | Confident | 60 Ų | 60 | 70.9 Ų | 70.9 | 41% | 0.405 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.5 | -43.3 | 175.7 | -72.6 | 0 | 0 | 0 | 0 | 111.6 | L233 Q234 V240 I241 | L233-C237 WeakPolarHBondContact O-CB 3.18Å; L233-C237 PolarHBondContact O-N 2.78Å; L233-C237 PolarHBondContact O-SG 3.08Å; Q234-C237 PolarHBondContact O-N 3.47Å; C237-V240 PolarHBondContact O-N 2.76Å; C237-I241 VanDerWaalsContact O-CG1 3.31Å; C237-I241 WeakPolarHBondContact O-CG1 3.24Å; C237-I241 PolarHBondContact O-N 3Å |
| 238 | R | 87.6 | Confident | 85.6 | Confident | 15 Ų | 15 | 69.2 Ų | 69.2 | 6% | 0.057 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.7 | -48.9 | 175.3 | 176.2 | -168 | 80.2 | -180 | 13.6 | 112.1 | Q234 T235 L236 V240 I241 Q242 F263 E267 | Q234-R238 WeakPolarHBondContact O-CB 3.27Å; Q234-R238 PolarHBondContact O-N 3.34Å; T235-R238 WeakPolarHBondContact O-CB 3.45Å; T235-R238 PolarHBondContact O-N 3.08Å; L236-R238 VanDerWaalsContact C-N 3.31Å; L236-R238 PolarHBondContact O-N 2.66Å; R238-V240 VanDerWaalsContact C-N 3.27Å; R238-V240 PolarHBondContact O-N 2.98Å; R238-I241 PolarHBondContact O-N 2.67Å; R238-I241 VanDerWaalsContact O-N 3.12Å; R238-Q242 HydrophobicContact CG-CG 4.25Å; R238-Q242 WeakPolarHBondContact O-CB 3.27Å; R238-Q242 WeakPolarHBondContact O-CG 3.45Å; R238-Q242 PolarHBondContact O-N 2.94Å; R238-F263 HydrophobicContact CB-CD1 4.13Å; R238-F263 HydrophobicContact CB-CE1 3.57Å; R238-F263 HydrophobicContact CB-CZ 4.45Å; R238-F263 HydrophobicContact CG-CD1 4.3Å; R238-F263 HydrophobicContact CG-CE1 4Å; R238-E267 VanDerWaalsContact CD-OXT 3.24Å; R238-E267 WeakPolarHBondContact CD-OXT 3.29Å; R238-E267 PolarHBondContact NE-OXT 2.96Å; R238-E267 PolarHBondContact NH1-O 3.36Å; R238-E267 PolarHBondContact NH1-OXT 3.04Å; R238-E267 PolarHBondContact NH2-O 2.75Å |
| 239 | L | 87.1 | Confident | 85.7 | Confident | 34 Ų | 34 | 72.3 Ų | 72.3 | 18% | 0.178 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 179.4 | -69.8 | 173.4 | 0 | 0 | 0 | 111.6 | P127 T235 L236 K243 | P127-L239 HydrophobicContact CB-CD1 3.85Å; P127-L239 HydrophobicContact CG-CD1 3.72Å; T235-L239 HydrophobicContact CG2-CD1 4.3Å; T235-L239 WeakPolarHBondContact O-CG 3.43Å; T235-L239 PolarHBondContact O-N 3.4Å; L236-L239 PolarHBondContact O-N 2.92Å; L239-K243 VanDerWaalsContact O-CB 3.29Å; L239-K243 WeakPolarHBondContact O-CB 3.32Å; L239-K243 PolarHBondContact O-N 2.99Å |
| 240 | V | 90.5 | Very high | 86.1 | Confident | 85 Ų | 85 | 73.1 Ų | 73.1 | 52% | 0.515 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 173.6 | 174.1 | 0 | 0 | 0 | 0 | 111 | L236 C237 R238 K243 H244 | L236-V240 WeakPolarHBondContact O-CG2 3.42Å; L236-V240 PolarHBondContact O-N 3.28Å; C237-V240 PolarHBondContact O-N 2.76Å; R238-V240 VanDerWaalsContact C-N 3.27Å; R238-V240 PolarHBondContact O-N 2.98Å; V240-K243 PolarHBondContact O-N 2.82Å; V240-H244 PolarHBondContact O-N 3.24Å; V240-H244 PolarHBondContact O-ND1 3.48Å |
| 241 | I | 89.5 | Confident | 86.5 | Confident | 42 Ų | 42 | 65.5 Ų | 65.5 | 22% | 0.215 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.4 | -50 | 177.5 | -68.5 | 163.8 | 0 | 0 | 0 | 110.6 | C237 R238 K243 H244 V245 L254 L256 | C237-I241 VanDerWaalsContact O-CG1 3.31Å; C237-I241 WeakPolarHBondContact O-CG1 3.24Å; C237-I241 PolarHBondContact O-N 3Å; R238-I241 PolarHBondContact O-N 2.67Å; R238-I241 VanDerWaalsContact O-N 3.12Å; I241-K243 PolarHBondContact O-N 3.5Å; I241-H244 PolarHBondContact O-N 3Å; I241-V245 HydrophobicContact CG2-CB 4.39Å; I241-V245 HydrophobicContact CG2-CG2 4.29Å; I241-V245 WeakPolarHBondContact O-CB 3.28Å; I241-V245 PolarHBondContact O-N 3.23Å; I241-L254 HydrophobicContact CG2-CD1 3.79Å; I241-L256 HydrophobicContact CD1-CD1 4.17Å |
| 242 | Q | 86.4 | Confident | 86.7 | Confident | 9 Ų | 9 | 68.9 Ų | 68.9 | 4% | 0.042 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62 | -30 | 179.7 | -73.4 | 172.3 | -23.5 | 0 | 0 | 112.4 | L124 R238 C264 E267 | L124-Q242 HydrophobicContact CD2-CB 3.85Å; R238-Q242 HydrophobicContact CG-CG 4.25Å; R238-Q242 WeakPolarHBondContact O-CB 3.27Å; R238-Q242 WeakPolarHBondContact O-CG 3.45Å; R238-Q242 PolarHBondContact O-N 2.94Å; Q242-C264 PolarHBondContact NE2-O 2.98Å; Q242-E267 PolarHBondContact NE2-OXT 2.86Å |
| 243 | K | 87 | Confident | 86.8 | Confident | 154 Ų | 154 | 70.5 Ų | 70.5 | 67% | 0.67 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -67.5 | -33.6 | 173.8 | -176 | 179 | 178.7 | -177.7 | 0 | 113 | L239 V240 I241 | L239-K243 VanDerWaalsContact O-CB 3.29Å; L239-K243 WeakPolarHBondContact O-CB 3.32Å; L239-K243 PolarHBondContact O-N 2.99Å; V240-K243 PolarHBondContact O-N 2.82Å; I241-K243 PolarHBondContact O-N 3.5Å |
| 244 | H | 88.2 | Confident | 86.9 | Confident | 140 Ų | 140 | 66.4 Ų | 66.4 | 65% | 0.648 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -99.8 | -24.9 | -177.3 | -63.4 | 87.6 | 0 | 0 | 0 | 113.2 | V240 I241 | V240-H244 PolarHBondContact O-N 3.24Å; V240-H244 PolarHBondContact O-ND1 3.48Å; I241-H244 PolarHBondContact O-N 3Å |
| 245 | V | 86.9 | Confident | 87.3 | Confident | 28 Ų | 28 | 71.5 Ų | 71.5 | 17% | 0.17 | 39% | 0.392 | C | S | . | . | trans | -116.3 | 77.8 | -179.1 | -172.4 | 0 | 0 | 0 | 0 | 107.9 | I241 H247 A250 I251 L254 | I241-V245 HydrophobicContact CG2-CB 4.39Å; I241-V245 HydrophobicContact CG2-CG2 4.29Å; I241-V245 WeakPolarHBondContact O-CB 3.28Å; I241-V245 PolarHBondContact O-N 3.23Å; V245-H247 VanDerWaalsContact C-N 3.31Å; V245-H247 PolarHBondContact O-N 3.12Å; V245-A250 HydrophobicContact CG1-CB 3.55Å; V245-I251 HydrophobicContact CG1-CG1 3.91Å; V245-L254 HydrophobicContact CG2-CD1 4.36Å; V245-L254 HydrophobicContact CG2-CD2 4.25Å | ||
| 246 | V | 74.8 | Confident | 87.4 | Confident | 110 Ų | 110 | 73.6 Ų | 73.6 | 67% | 0.667 | 40% | 0.402 | S | S | * | . | trans | -67 | -31.9 | -168.9 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | F123 | F123-V246 WeakPolarHBondContact CE1-O 3.28Š| ||
| 247 | H | 83.1 | Confident | 87.4 | Confident | 119 Ų | 119 | 73.9 Ų | 73.9 | 55% | 0.551 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -92.5 | 126.9 | -177.9 | -158.8 | -92.1 | 0 | 0 | 0 | 111.9 | V245 L249 A250 | V245-H247 VanDerWaalsContact C-N 3.31Å; V245-H247 PolarHBondContact O-N 3.12Å; H247-L249 WeakPolarHBondContact ND1-CB 3.38Å; H247-L249 PolarHBondContact ND1-N 3.29Å; H247-L249 PolarHBondContact O-N 2.91Å; H247-L249 VanDerWaalsContact O-N 3.13Å; H247-A250 HydrophobicContact CB-CB 4.26Å; H247-A250 WeakPolarHBondContact O-CA 3.43Å; H247-A250 VanDerWaalsContact O-CB 3.29Å; H247-A250 WeakPolarHBondContact O-CB 3.48Å; H247-A250 PolarHBondContact O-N 3.02Å |
| 248 | R | 82.4 | Confident | 87.3 | Confident | 95 Ų | 95 | 75.9 Ų | 75.9 | 36% | 0.358 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -53.2 | -38.7 | -179.3 | -163.1 | -178 | -134.7 | 175.1 | 12.2 | 113.6 | F123 A250 I251 K265 Y266 | F123-R248 HydrophobicContact CZ-CB 4.03Å; R248-A250 VanDerWaalsContact C-N 3.29Å; R248-A250 PolarHBondContact O-N 2.81Å; R248-I251 WeakPolarHBondContact O-CB 3.46Å; R248-I251 PolarHBondContact O-N 3.23Å; R248-K265 HydrophobicContact CG-CB 3.85Å; R248-K265 HydrophobicContact CG-CD 4.28Å; R248-K265 HydrophobicContact CG-CG 3.68Å; R248-K265 PolarHBondContact NE-O 3.38Å; R248-K265 PolarHBondContact NH2-O 2.76Å; R248-K265 WeakPolarHBondContact O-CE 3.29Å; R248-Y266 VanDerWaalsContact NH1-CE1 3.34Å |
| 249 | L | 85.1 | Confident | 87 | Confident | 119 Ų | 119 | 79.5 Ų | 79.5 | 62% | 0.623 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -70.2 | -26.2 | 178.6 | -57.6 | 178.2 | 0 | 0 | 0 | 112.4 | H247 I251 D252 | H247-L249 WeakPolarHBondContact ND1-CB 3.38Å; H247-L249 PolarHBondContact ND1-N 3.29Å; H247-L249 PolarHBondContact O-N 2.91Å; H247-L249 VanDerWaalsContact O-N 3.13Å; L249-I251 PolarHBondContact O-N 3.36Å; L249-D252 WeakPolarHBondContact O-CB 3.31Å; L249-D252 PolarHBondContact O-N 3.01Å; L249-D252 VanDerWaalsContact O-N 3.13Å |
| 250 | A | 88.6 | Confident | 86.9 | Confident | 51 Ų | 51 | 81.1 Ų | 81.1 | 42% | 0.421 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -69.3 | -20.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | V245 H247 R248 D252 G253 | V245-A250 HydrophobicContact CG1-CB 3.55Å; H247-A250 HydrophobicContact CB-CB 4.26Å; H247-A250 WeakPolarHBondContact O-CA 3.43Å; H247-A250 VanDerWaalsContact O-CB 3.29Å; H247-A250 WeakPolarHBondContact O-CB 3.48Å; H247-A250 PolarHBondContact O-N 3.02Å; R248-A250 VanDerWaalsContact C-N 3.29Å; R248-A250 PolarHBondContact O-N 2.81Å; A250-D252 PolarHBondContact O-N 3.41Å; A250-G253 PolarHBondContact O-N 3.49Å |
| 251 | I | 89.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -64.3 | -27.7 | 172.9 | -59.3 | 173.4 | 0 | 0 | 0 | 111.3 | V245 R248 L249 G253 L254 K261 C264 K265 | V245-I251 HydrophobicContact CG1-CG1 3.91Å; R248-I251 WeakPolarHBondContact O-CB 3.46Å; R248-I251 PolarHBondContact O-N 3.23Å; L249-I251 PolarHBondContact O-N 3.36Å; I251-G253 PolarHBondContact O-N 3.29Å; I251-L254 HydrophobicContact CG2-CD1 4.22Å; I251-L254 WeakPolarHBondContact O-CB 3.48Å; I251-L254 PolarHBondContact O-N 3.23Å; I251-K261 HydrophobicContact CG2-CB 4.18Å; I251-K261 HydrophobicContact CG2-CG 4.33Å; I251-C264 HydrophobicContact CD1-CB 4.06Å; I251-C264 WeakPolarHBondContact CD1-O 3.42Å; I251-C264 HydrophobicContact CG2-CB 4.04Å; I251-K265 HydrophobicContact CB-CG 3.97Å; I251-K265 HydrophobicContact CD1-CB 4.49Å; I251-K265 HydrophobicContact CD1-CG 3.8Å; I251-K265 HydrophobicContact CG1-CG 4.46Å; I251-K265 HydrophobicContact CG2-CG 3.92Å |
| 252 | D | 88.8 | Confident | 86.4 | Confident | 76 Ų | 76 | 79.4 Ų | 79.4 | 41% | 0.406 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -64.2 | -30.2 | 176 | -74.7 | -51 | 0 | 0 | 0 | 113.1 | L249 A250 L254 K261 K265 | L249-D252 WeakPolarHBondContact O-CB 3.31Å; L249-D252 PolarHBondContact O-N 3.01Å; L249-D252 VanDerWaalsContact O-N 3.13Å; A250-D252 PolarHBondContact O-N 3.41Å; D252-L254 VanDerWaalsContact C-N 3.3Å; D252-L254 PolarHBondContact O-N 3.43Å; D252-K261 PolarHBondContact O-NZ 3.13Å; D252-K265 WeakPolarHBondContact OD1-CE 3.49Å; D252-K265 IonicContact OD1-NZ 2.62Å; D252-K265 PolarHBondContact OD1-NZ 3.31Å; D252-K265 WeakPolarHBondContact OD2-CE 3.42Å; D252-K265 IonicContact OD2-NZ 2.91Å; D252-K265 PolarHBondContact OD2-NZ 3.36Å |
| 253 | G | 89.4 | Confident | 86.1 | Confident | 72 Ų | 72 | 79.4 Ų | 79.4 | 74% | 0.742 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -78.8 | -8.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A250 I251 | A250-G253 PolarHBondContact O-N 3.49Å; I251-G253 PolarHBondContact O-N 3.29Å |
| 254 | L | 90.7 | Very high | 86 | Confident | 48 Ų | 48 | 72.3 Ų | 72.3 | 25% | 0.251 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -72.5 | 145.4 | 176.8 | -60.5 | 178.4 | 0 | 0 | 0 | 110.7 | I241 V245 I251 D252 L256 K261 | I241-L254 HydrophobicContact CG2-CD1 3.79Å; V245-L254 HydrophobicContact CG2-CD1 4.36Å; V245-L254 HydrophobicContact CG2-CD2 4.25Å; I251-L254 HydrophobicContact CG2-CD1 4.22Å; I251-L254 WeakPolarHBondContact O-CB 3.48Å; I251-L254 PolarHBondContact O-N 3.23Å; D252-L254 VanDerWaalsContact C-N 3.3Å; D252-L254 PolarHBondContact O-N 3.43Å; L254-L256 HydrophobicContact CB-CB 4.45Å; L254-L256 HydrophobicContact CB-CD1 3.96Å; L254-L256 HydrophobicContact CB-CG 3.94Å; L254-L256 HydrophobicContact CD1-CD1 3.74Å; L254-L256 PolarHBondContact O-N 3.35Å; L254-K261 WeakPolarHBondContact O-CE 3.09Å; L254-K261 PolarHBondContact O-NZ 3.49Å |
| 255 | D | 93.4 | Very high | 85.6 | Confident | 170 Ų | 170 | 66.7 Ų | 66.7 | 91% | 0.909 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -81.8 | 65.2 | 172.4 | -165.4 | 21.4 | 0 | 0 | 0 | 110.7 | ||
| 256 | L | 89.1 | Confident | 85.1 | Confident | 49 Ų | 49 | 69.3 Ų | 69.3 | 26% | 0.257 | 39% | 0.386 | S | S | . | . | trans | -121.2 | 147.5 | -179.2 | -66.4 | 177 | 0 | 0 | 0 | 110.9 | I241 L254 L260 K261 | I241-L256 HydrophobicContact CD1-CD1 4.17Å; L254-L256 HydrophobicContact CB-CB 4.45Å; L254-L256 HydrophobicContact CB-CD1 3.96Å; L254-L256 HydrophobicContact CB-CG 3.94Å; L254-L256 HydrophobicContact CD1-CD1 3.74Å; L254-L256 PolarHBondContact O-N 3.35Å; L256-L260 HydrophobicContact CB-CB 4.42Å; L256-K261 HydrophobicContact CB-CG 3.94Å; L256-K261 WeakPolarHBondContact O-CE 3.38Å | ||
| 257 | P | 89.5 | Confident | 84.9 | Confident | 76 Ų | 76 | 66 Ų | 66 | 49% | 0.494 | 36% | 0.364 | S | S | . | . | trans | -54.1 | 146 | 170.6 | -26.7 | 34.4 | 0 | 0 | 0 | 112.3 | L259 L260 K261 | P257-L259 PolarHBondContact O-N 3.3Å; P257-L259 VanDerWaalsContact O-N 3.1Å; P257-L260 HydrophobicContact CG-CD1 4.21Å; P257-L260 PolarHBondContact O-N 2.8Å; P257-K261 PolarHBondContact O-N 2.84Å | ||
| 258 | P | 86.2 | Confident | 85 | Confident | 101 Ų | 101 | 63.4 Ų | 63.4 | 66% | 0.656 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -53.8 | -36 | -177.2 | -28.9 | 35.1 | 0 | 0 | 0 | 114.6 | K261 N262 | P258-K261 PolarHBondContact O-N 3.19Å; P258-N262 PolarHBondContact O-N 3.13Å; P258-N262 PolarHBondContact O-ND2 3.34Å |
| 259 | L | 81.4 | Confident | 85.1 | Confident | 91 Ų | 91 | 61.7 Ų | 61.7 | 48% | 0.476 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 177.1 | -68 | 177 | 0 | 0 | 0 | 112.5 | P147 P257 F263 | P147-L259 HydrophobicContact CB-CB 4.12Å; P147-L259 HydrophobicContact CB-CD2 4.45Å; P257-L259 PolarHBondContact O-N 3.3Å; P257-L259 VanDerWaalsContact O-N 3.1Å; L259-F263 WeakPolarHBondContact O-CB 3.46Å; L259-F263 PolarHBondContact O-N 3.32Å |
| 260 | L | 84.6 | Confident | 85.1 | Confident | 68 Ų | 68 | 58.5 Ų | 58.5 | 36% | 0.356 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -74 | -35.9 | 177.2 | -64.7 | -178.4 | 0 | 0 | 0 | 111.5 | L256 P257 F263 C264 | L256-L260 HydrophobicContact CB-CB 4.42Å; P257-L260 HydrophobicContact CG-CD1 4.21Å; P257-L260 PolarHBondContact O-N 2.8Å; L260-F263 PolarHBondContact O-N 3.5Å; L260-C264 WeakPolarHBondContact O-CB 3.34Å; L260-C264 PolarHBondContact O-N 3.12Å; L260-C264 PolarHBondContact O-SG 3.48Å |
| 261 | K | 87.3 | Confident | 84.9 | Confident | 41 Ų | 41 | 58.9 Ų | 58.9 | 18% | 0.178 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.3 | -49.2 | 170.8 | -70.2 | -177.8 | 172 | 178.6 | 0 | 110.8 | I251 D252 L254 L256 P257 P258 C264 K265 | I251-K261 HydrophobicContact CG2-CB 4.18Å; I251-K261 HydrophobicContact CG2-CG 4.33Å; D252-K261 PolarHBondContact O-NZ 3.13Å; L254-K261 WeakPolarHBondContact O-CE 3.09Å; L254-K261 PolarHBondContact O-NZ 3.49Å; L256-K261 HydrophobicContact CB-CG 3.94Å; L256-K261 WeakPolarHBondContact O-CE 3.38Å; P257-K261 PolarHBondContact O-N 2.84Å; P258-K261 PolarHBondContact O-N 3.19Å; K261-C264 PolarHBondContact O-N 3.32Å; K261-K265 WeakPolarHBondContact O-CB 3.43Å; K261-K265 WeakPolarHBondContact O-CG 3.38Å; K261-K265 PolarHBondContact O-N 2.95Å |
| 262 | N | 82 | Confident | 84.6 | Confident | 51 Ų | 51 | 62.6 Ų | 62.6 | 27% | 0.273 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 177.3 | -72.2 | -19.8 | 0 | 0 | 0 | 111.6 | P258 C264 K265 Y266 | P258-N262 PolarHBondContact O-N 3.13Å; P258-N262 PolarHBondContact O-ND2 3.34Å; N262-C264 VanDerWaalsContact C-N 3.31Å; N262-C264 PolarHBondContact O-N 3.25Å; N262-K265 PolarHBondContact O-N 3Å; N262-K265 VanDerWaalsContact O-N 3.13Å; N262-Y266 HydrophobicContact CB-CD2 4.17Å; N262-Y266 HydrophobicContact CB-CE2 4.47Å; N262-Y266 WeakPolarHBondContact O-CD2 3.45Å; N262-Y266 PolarHBondContact O-N 3.14Å |
| 263 | F | 80.9 | Confident | 84.4 | Confident | 9 Ų | 9 | 61.7 Ų | 61.7 | 4% | 0.039 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -56.4 | -45 | 175.3 | 179.1 | -104.8 | 0 | 0 | 0 | 112 | Q234 R238 L259 L260 K265 E267 | Q234-F263 HydrophobicContact CG-CD1 4.03Å; Q234-F263 HydrophobicContact CG-CE1 3.41Å; Q234-F263 VanDerWaalsContact CG-CE1 3.41Å; Q234-F263 HydrophobicContact CG-CE2 4.42Å; Q234-F263 HydrophobicContact CG-CZ 3.66Å; Q234-F263 VanDerWaalsContact NE2-CE2 3.27Å; R238-F263 HydrophobicContact CB-CD1 4.13Å; R238-F263 HydrophobicContact CB-CE1 3.57Å; R238-F263 HydrophobicContact CB-CZ 4.45Å; R238-F263 HydrophobicContact CG-CD1 4.3Å; R238-F263 HydrophobicContact CG-CE1 4Å; L259-F263 WeakPolarHBondContact O-CB 3.46Å; L259-F263 PolarHBondContact O-N 3.32Å; L260-F263 PolarHBondContact O-N 3.5Å; F263-K265 VanDerWaalsContact C-N 3.31Å; F263-K265 PolarHBondContact O-N 3.25Å; F263-E267 HydrophobicContact CD2-CB 3.9Å; F263-E267 VanDerWaalsContact CD2-CD 3.45Å; F263-E267 HydrophobicContact CD2-CG 3.89Å; F263-E267 VanDerWaalsContact CD2-OE2 3.28Å; F263-E267 WeakPolarHBondContact CD2-OE2 3.19Å; F263-E267 HydrophobicContact CE2-CB 3.93Å; F263-E267 HydrophobicContact CE2-CG 4.24Å; F263-E267 WeakPolarHBondContact CE2-OE2 3.45Å; F263-E267 WeakPolarHBondContact O-CB 3.35Å; F263-E267 PolarHBondContact O-N 3.01Å; F263-E267 VanDerWaalsContact O-N 3.09Å |
| 264 | C | 83.9 | Confident | 84 | Confident | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.034 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.3 | -28 | 178.4 | -63.5 | 0 | 0 | 0 | 0 | 113.9 | Q242 I251 L260 K261 N262 | Q242-C264 PolarHBondContact NE2-O 2.98Å; I251-C264 HydrophobicContact CD1-CB 4.06Å; I251-C264 WeakPolarHBondContact CD1-O 3.42Å; I251-C264 HydrophobicContact CG2-CB 4.04Å; L260-C264 WeakPolarHBondContact O-CB 3.34Å; L260-C264 PolarHBondContact O-N 3.12Å; L260-C264 PolarHBondContact O-SG 3.48Å; K261-C264 PolarHBondContact O-N 3.32Å; N262-C264 VanDerWaalsContact C-N 3.31Å; N262-C264 PolarHBondContact O-N 3.25Å |
| 265 | K | 81.3 | Confident | 83.5 | Confident | 21 Ų | 21 | 62 Ų | 62 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -78.1 | -44.2 | 178.2 | -75.7 | 175.4 | 173.3 | -168.7 | 0 | 112 | R248 I251 D252 K261 N262 F263 | R248-K265 HydrophobicContact CG-CB 3.85Å; R248-K265 HydrophobicContact CG-CD 4.28Å; R248-K265 HydrophobicContact CG-CG 3.68Å; R248-K265 PolarHBondContact NE-O 3.38Å; R248-K265 PolarHBondContact NH2-O 2.76Å; R248-K265 WeakPolarHBondContact O-CE 3.29Å; I251-K265 HydrophobicContact CB-CG 3.97Å; I251-K265 HydrophobicContact CD1-CB 4.49Å; I251-K265 HydrophobicContact CD1-CG 3.8Å; I251-K265 HydrophobicContact CG1-CG 4.46Å; I251-K265 HydrophobicContact CG2-CG 3.92Å; D252-K265 WeakPolarHBondContact OD1-CE 3.49Å; D252-K265 IonicContact OD1-NZ 2.62Å; D252-K265 PolarHBondContact OD1-NZ 3.31Å; D252-K265 WeakPolarHBondContact OD2-CE 3.42Å; D252-K265 IonicContact OD2-NZ 2.91Å; D252-K265 PolarHBondContact OD2-NZ 3.36Å; K261-K265 WeakPolarHBondContact O-CB 3.43Å; K261-K265 WeakPolarHBondContact O-CG 3.38Å; K261-K265 PolarHBondContact O-N 2.95Å; N262-K265 PolarHBondContact O-N 3Å; N262-K265 VanDerWaalsContact O-N 3.13Å; F263-K265 VanDerWaalsContact C-N 3.31Å; F263-K265 PolarHBondContact O-N 3.25Å |
| 266 | Y | 76.3 | Confident | 82.7 | Confident | 83 Ų | 83 | 53 Ų | 53 | 33% | 0.325 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -114.8 | -13 | -158.9 | -59.9 | -79.9 | 0 | 0 | 0 | 115.3 | H152 R248 N262 | H152-Y266 HydrophobicContact CB-CD1 4.16Å; H152-Y266 HydrophobicContact CB-CD2 4.43Å; H152-Y266 HydrophobicContact CB-CG 3.75Å; H152-Y266 AromaticContact CD2-CD1 3.68Å; H152-Y266 AromaticContact CD2-CG 3.91Å; H152-Y266 AromaticContact CG-CG 3.8Å; R248-Y266 VanDerWaalsContact NH1-CE1 3.34Å; N262-Y266 HydrophobicContact CB-CD2 4.17Å; N262-Y266 HydrophobicContact CB-CE2 4.47Å; N262-Y266 WeakPolarHBondContact O-CD2 3.45Å; N262-Y266 PolarHBondContact O-N 3.14Å |
| 267 | E | 69.7 | Low | 82.1 | Confident | 41 Ų | 41 | 53.4 Ų | 53.4 | 19% | 0.192 | 28% | 0.283 | C | S | . | . | trans | -107.6 | 0 | 174.2 | -55.4 | -162.2 | -169.2 | 0 | 0 | 111.1 | S151 R238 Q242 F263 | S151-E267 PolarHBondContact OG-OE1 3.26Å; S151-E267 VanDerWaalsContact OG-OE1 3.11Å; R238-E267 VanDerWaalsContact CD-OXT 3.24Å; R238-E267 WeakPolarHBondContact CD-OXT 3.29Å; R238-E267 PolarHBondContact NE-OXT 2.96Å; R238-E267 PolarHBondContact NH1-O 3.36Å; R238-E267 PolarHBondContact NH1-OXT 3.04Å; R238-E267 PolarHBondContact NH2-O 2.75Å; Q242-E267 PolarHBondContact NE2-OXT 2.86Å; F263-E267 HydrophobicContact CD2-CB 3.9Å; F263-E267 VanDerWaalsContact CD2-CD 3.45Å; F263-E267 HydrophobicContact CD2-CG 3.89Å; F263-E267 VanDerWaalsContact CD2-OE2 3.28Å; F263-E267 WeakPolarHBondContact CD2-OE2 3.19Å; F263-E267 HydrophobicContact CE2-CB 3.93Å; F263-E267 HydrophobicContact CE2-CG 4.24Å; F263-E267 WeakPolarHBondContact CE2-OE2 3.45Å; F263-E267 WeakPolarHBondContact O-CB 3.35Å; F263-E267 PolarHBondContact O-N 3.01Å; F263-E267 VanDerWaalsContact O-N 3.09Å |
Retrieved 267 of 267 residues in 76.5 ms
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