| 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 | E | 78.3 | Confident | 96 | Very high | 245 Ų | 245 | 67.2 Ų | 67.2 | 100% | 1.145 | 32% | 0.317 | S | S | * | . | 0 | 138.8 | 0 | -169.6 | 171.4 | 177.1 | 0 | 0 | 107.1 | |||||
| 2 | Y | 94.4 | Very high | 96.2 | Very high | 32 Ų | 32 | 69 Ų | 69 | 13% | 0.125 | 33% | 0.325 | C | S | . | . | trans | -90.5 | 125.8 | -176.4 | -167 | -100.5 | 0 | 0 | 0 | 110 | Y4 H8 E12 W16 Q76 | Y2-Y4 HydrophobicContact CD1-CD1 4.17Å; Y2-Y4 HydrophobicContact CD1-CD2 4.13Å; Y2-Y4 AromaticContact CD1-CE1 3.99Å; Y2-Y4 HydrophobicContact CD1-CE1 3.99Å; Y2-Y4 AromaticContact CD1-CE2 3.96Å; Y2-Y4 HydrophobicContact CD1-CE2 3.96Å; Y2-Y4 HydrophobicContact CD1-CG 4.25Å; Y2-Y4 AromaticContact CD1-CZ 3.9Å; Y2-Y4 HydrophobicContact CE1-CD1 4.31Å; Y2-Y4 HydrophobicContact CE1-CE1 4.25Å; Y2-H8 AromaticContact CE1-CD2 3.71Å; Y2-H8 AromaticContact CE1-NE2 3.73Å; Y2-H8 AromaticContact CE2-CD2 3.97Å; Y2-H8 AromaticContact CE2-NE2 3.94Å; Y2-H8 AromaticContact CZ-CD2 3.32Å; Y2-H8 AromaticContact CZ-CG 3.71Å; Y2-H8 AromaticContact CZ-NE2 3.58Å; Y2-H8 WeakPolarHBondContact OH-CB 3.44Å; Y2-H8 PolarHBondContact OH-CD2 3.28Å; Y2-H8 VanDerWaalsContact OH-CG 3.3Å; Y2-E12 HydrophobicContact CE2-CB 4.48Å; Y2-W16 HydrophobicContact CD1-CB 4.48Å; Y2-W16 AromaticContact CD1-CD1 3.42Å; Y2-W16 VanDerWaalsContact CD1-CD1 3.42Å; Y2-W16 HydrophobicContact CD1-CG 4.03Å; Y2-W16 AromaticContact CD1-NE1 3.98Å; Y2-W16 HydrophobicContact CD2-CB 3.8Å; Y2-W16 HydrophobicContact CD2-CG 4.22Å; Y2-W16 HydrophobicContact CE1-CB 4.15Å; Y2-W16 AromaticContact CE1-CD1 3.57Å; Y2-W16 HydrophobicContact CE1-CD2 4.35Å; Y2-W16 AromaticContact CE1-CG 3.75Å; Y2-W16 HydrophobicContact CE1-CG 3.75Å; Y2-W16 HydrophobicContact CE2-CB 3.46Å; Y2-W16 VanDerWaalsContact CE2-CB 3.46Å; Y2-W16 AromaticContact CE2-CG 3.99Å; Y2-W16 HydrophobicContact CE2-CG 3.99Å; Y2-W16 HydrophobicContact CG-CB 4.29Å; Y2-W16 AromaticContact CG-CD1 3.65Å; Y2-W16 HydrophobicContact CG-CG 4.23Å; Y2-W16 AromaticContact CZ-CD1 3.96Å; Y2-W16 AromaticContact CZ-CG 3.71Å; Y2-Q76 VanDerWaalsContact CE1-OE1 3.27Å; Y2-Q76 PolarHBondContact OH-OE1 3.5Å | ||
| 3 | D | 97.3 | Very high | 96.4 | Very high | 61 Ų | 61 | 63.7 Ų | 63.7 | 33% | 0.326 | 30% | 0.3 | S | S | . | . | trans | -97.1 | 93.5 | -175.2 | -174 | -0.5 | 0 | 0 | 0 | 112 | F5 Q6 H8 | D3-F5 PolarHBondContact O-N 3.38Å; D3-F5 PolarHBondContact OD1-N 3.01Å; D3-Q6 PolarHBondContact O-N 3.35Å; D3-Q6 VanDerWaalsContact O-N 3.15Å; D3-Q6 WeakPolarHBondContact OD2-CG 3.28Å; D3-Q6 PolarHBondContact OD2-NE2 3.46Å; D3-H8 PolarHBondContact O-NE2 3.47Å | ||
| 4 | Y | 98 | Very high | 96.6 | Very high | 25 Ų | 25 | 64.6 Ų | 64.6 | 10% | 0.098 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -3.3 | -179.9 | -67 | -90.3 | 0 | 0 | 0 | 115.5 | Y2 W16 Q76 R80 I285 | Y2-Y4 HydrophobicContact CD1-CD1 4.17Å; Y2-Y4 HydrophobicContact CD1-CD2 4.13Å; Y2-Y4 AromaticContact CD1-CE1 3.99Å; Y2-Y4 HydrophobicContact CD1-CE1 3.99Å; Y2-Y4 AromaticContact CD1-CE2 3.96Å; Y2-Y4 HydrophobicContact CD1-CE2 3.96Å; Y2-Y4 HydrophobicContact CD1-CG 4.25Å; Y2-Y4 AromaticContact CD1-CZ 3.9Å; Y2-Y4 HydrophobicContact CE1-CD1 4.31Å; Y2-Y4 HydrophobicContact CE1-CE1 4.25Å; Y4-W16 HydrophobicContact CE1-CZ2 4.34Å; Y4-W16 AromaticContact CE1-NE1 3.53Å; Y4-W16 AromaticContact CZ-NE1 3.48Å; Y4-W16 PolarHBondContact OH-NE1 3.04Å; Y4-Q76 HydrophobicContact CD1-CB 4.19Å; Y4-Q76 HydrophobicContact CE1-CB 4.24Å; Y4-Q76 WeakPolarHBondContact CE1-O 3.35Å; Y4-R80 HydrophobicContact CD1-CB 4.16Å; Y4-R80 HydrophobicContact CE1-CB 3.62Å; Y4-R80 HydrophobicContact CE1-CG 4.28Å; Y4-R80 HydrophobicContact CE2-CB 4.35Å; Y4-R80 HydrophobicContact CE2-CG 4.14Å; Y4-I285 WeakPolarHBondContact O-CG2 3.34Å |
| 5 | F | 97.1 | Very high | 96.7 | Very high | 58 Ų | 58 | 65.2 Ų | 65.2 | 25% | 0.254 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 20.1 | -179.2 | -47.4 | -48.1 | 0 | 0 | 0 | 112.5 | D3 Y77 Q286 | D3-F5 PolarHBondContact O-N 3.38Å; D3-F5 PolarHBondContact OD1-N 3.01Å; F5-Y77 HydrophobicContact CE1-CD2 4.17Å; F5-Y77 HydrophobicContact CE1-CE2 4.04Å; F5-Q286 HydrophobicContact CD1-CB 3.54Å; F5-Q286 HydrophobicContact CD1-CG 4.02Å; F5-Q286 HydrophobicContact CE1-CB 3.68Å; F5-Q286 HydrophobicContact CE1-CG 3.59Å; F5-Q286 HydrophobicContact CG-CB 4.16Å; F5-Q286 HydrophobicContact CZ-CB 4.39Å; F5-Q286 HydrophobicContact CZ-CG 3.98Å |
| 6 | Q | 98.1 | Very high | 96.8 | Very high | 83 Ų | 83 | 61.2 Ų | 61.2 | 39% | 0.388 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -124.6 | 162 | 168.2 | -64.7 | -174.2 | 32.4 | 0 | 0 | 111.2 | D3 H8 | D3-Q6 PolarHBondContact O-N 3.35Å; D3-Q6 VanDerWaalsContact O-N 3.15Å; D3-Q6 WeakPolarHBondContact OD2-CG 3.28Å; D3-Q6 PolarHBondContact OD2-NE2 3.46Å; Q6-H8 PolarHBondContact O-CD2 3.31Å |
| 7 | Y | 98.8 | Very high | 97 | Very high | 22 Ų | 22 | 57.9 Ų | 57.9 | 9% | 0.086 | 29% | 0.286 | C | S | . | . | trans | -83.7 | 134.5 | 169 | -63.5 | -57.6 | 0 | 0 | 0 | 109.6 | W69 I70 A73 W116 L280 Q282 I285 | Y7-W69 HydrophobicContact CD1-CB 3.67Å; Y7-W69 AromaticContact CD2-CE3 3.87Å; Y7-W69 HydrophobicContact CD2-CE3 3.87Å; Y7-W69 HydrophobicContact CE1-CB 3.76Å; Y7-W69 HydrophobicContact CG-CB 4.17Å; Y7-W69 AromaticContact CG-CE3 3.84Å; Y7-W69 HydrophobicContact CG-CE3 3.84Å; Y7-I70 HydrophobicContact CE1-CB 4.42Å; Y7-A73 HydrophobicContact CD1-CB 4.29Å; Y7-A73 HydrophobicContact CE1-CB 4.33Å; Y7-W116 WeakPolarHBondContact O-CH2 3.5Å; Y7-L280 WeakPolarHBondContact CE2-O 3.45Å; Y7-L280 PolarHBondContact OH-O 2.87Å; Y7-Q282 HydrophobicContact CD2-CG 4.03Å; Y7-Q282 HydrophobicContact CE2-CG 4.25Å; Y7-I285 HydrophobicContact CD1-CD1 3.8Å; Y7-I285 HydrophobicContact CD1-CG1 4.48Å; Y7-I285 HydrophobicContact CD2-CD1 4.14Å; Y7-I285 HydrophobicContact CE1-CD1 3.64Å; Y7-I285 HydrophobicContact CE1-CG1 3.85Å; Y7-I285 HydrophobicContact CE2-CD1 4Å; Y7-I285 HydrophobicContact CE2-CG1 4.43Å; Y7-I285 HydrophobicContact CG-CD1 4.04Å | ||
| 8 | H | 98.8 | Very high | 97 | Very high | 9 Ų | 9 | 57.7 Ų | 57.7 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | trans | -115.3 | 134.8 | -175.5 | -69.1 | -68.4 | 0 | 0 | 0 | 112 | Y2 D3 Q6 E12 I13 Y112 W116 | Y2-H8 AromaticContact CE1-CD2 3.71Å; Y2-H8 AromaticContact CE1-NE2 3.73Å; Y2-H8 AromaticContact CE2-CD2 3.97Å; Y2-H8 AromaticContact CE2-NE2 3.94Å; Y2-H8 AromaticContact CZ-CD2 3.32Å; Y2-H8 AromaticContact CZ-CG 3.71Å; Y2-H8 AromaticContact CZ-NE2 3.58Å; Y2-H8 WeakPolarHBondContact OH-CB 3.44Å; Y2-H8 PolarHBondContact OH-CD2 3.28Å; Y2-H8 VanDerWaalsContact OH-CG 3.3Å; D3-H8 PolarHBondContact O-NE2 3.47Å; Q6-H8 PolarHBondContact O-CD2 3.31Å; H8-E12 HydrophobicContact CB-CB 4.05Å; H8-E12 IonicContact CE1-OE2 3.87Å; H8-E12 IonicContact CG-OE2 3.7Å; H8-E12 IonicContact ND1-OE2 3.36Å; H8-E12 PolarHBondContact ND1-OE2 2.72Å; H8-I13 HydrophobicContact CB-CG1 3.9Å; H8-Y112 WeakPolarHBondContact O-CE1 3.46Å; H8-Y112 PolarHBondContact O-OH 3.02Å; H8-W116 VanDerWaalsContact C-CZ2 3.44Å; H8-W116 WeakPolarHBondContact O-CZ2 3.4Å | ||
| 9 | P | 98.6 | Very high | 97.1 | Very high | 36 Ų | 36 | 58.4 Ų | 58.4 | 23% | 0.234 | 30% | 0.296 | C | S | . | . | trans | -64.7 | 162.7 | 169.4 | 30.2 | -36 | 0 | 0 | 0 | 110.9 | E11 E12 I13 W116 | P9-E11 PolarHBondContact O-N 3.49Å; P9-E11 VanDerWaalsContact O-N 3.14Å; P9-E12 WeakPolarHBondContact CD-OE1 3.39Å; P9-E12 HydrophobicContact CG-CB 4.25Å; P9-E12 HydrophobicContact CG-CG 3.92Å; P9-E12 WeakPolarHBondContact CG-OE1 3.09Å; P9-E12 PolarHBondContact O-N 2.98Å; P9-E12 VanDerWaalsContact O-N 3.09Å; P9-I13 PolarHBondContact O-N 2.87Å; P9-W116 HydrophobicContact CB-CD2 4.12Å; P9-W116 HydrophobicContact CB-CE3 4.27Å; P9-W116 HydrophobicContact CB-CG 4.43Å | ||
| 10 | M | 98.6 | Very high | 97.2 | Very high | 14 Ų | 14 | 55.9 Ų | 55.9 | 7% | 0.069 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.6 | -35.1 | -174 | -168.1 | 66.7 | -144.4 | 0 | 0 | 113.7 | I13 N14 V106 V109 Y112 I113 | M10-I13 PolarHBondContact O-N 3.02Å; M10-N14 WeakPolarHBondContact CE-OD1 3.29Å; M10-N14 WeakPolarHBondContact O-CB 3.48Å; M10-N14 VanDerWaalsContact O-CG 3.31Å; M10-N14 PolarHBondContact O-N 3.11Å; M10-N14 PolarHBondContact O-ND2 3.35Å; M10-V106 HydrophobicContact CE-CB 4.28Å; M10-V106 HydrophobicContact SD-CB 3.85Å; M10-V106 HydrophobicContact SD-CG1 3.96Å; M10-V106 HydrophobicContact SD-CG2 3.91Å; M10-V109 HydrophobicContact CE-CG1 4.42Å; M10-V109 HydrophobicContact CG-CG1 4.06Å; M10-V109 HydrophobicContact SD-CG1 4.12Å; M10-Y112 HydrophobicContact CB-CD1 4.16Å; M10-Y112 HydrophobicContact SD-CD1 4.13Å; M10-I113 HydrophobicContact CB-CD1 4.13Å; M10-I113 HydrophobicContact CB-CG1 3.6Å; M10-I113 HydrophobicContact CG-CD1 4.13Å; M10-I113 HydrophobicContact CG-CG1 4.05Å |
| 11 | E | 98.3 | Very high | 97.2 | Very high | 154 Ų | 154 | 54.3 Ų | 54.3 | 72% | 0.72 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.9 | -41.8 | 178.6 | -176.4 | 176.7 | -179.6 | 0 | 0 | 112.5 | P9 N14 S15 | P9-E11 PolarHBondContact O-N 3.49Å; P9-E11 VanDerWaalsContact O-N 3.14Å; E11-N14 PolarHBondContact O-N 3.09Å; E11-S15 WeakPolarHBondContact O-CB 3.39Å; E11-S15 PolarHBondContact O-N 3.46Å; E11-S15 PolarHBondContact O-OG 2.98Å |
| 12 | E | 98.8 | Very high | 98.2 | Very high | 89 Ų | 89 | 51 Ų | 51 | 42% | 0.416 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.2 | -39 | 177.2 | -70.9 | 177.9 | -146.3 | 0 | 0 | 111.2 | Y2 H8 P9 S15 W16 | Y2-E12 HydrophobicContact CE2-CB 4.48Å; H8-E12 HydrophobicContact CB-CB 4.05Å; H8-E12 IonicContact CE1-OE2 3.87Å; H8-E12 IonicContact CG-OE2 3.7Å; H8-E12 IonicContact ND1-OE2 3.36Å; H8-E12 PolarHBondContact ND1-OE2 2.72Å; P9-E12 WeakPolarHBondContact CD-OE1 3.39Å; P9-E12 HydrophobicContact CG-CB 4.25Å; P9-E12 HydrophobicContact CG-CG 3.92Å; P9-E12 WeakPolarHBondContact CG-OE1 3.09Å; P9-E12 PolarHBondContact O-N 2.98Å; P9-E12 VanDerWaalsContact O-N 3.09Å; E12-S15 PolarHBondContact O-N 2.97Å; E12-W16 WeakPolarHBondContact O-CB 3.41Å; E12-W16 PolarHBondContact O-N 2.66Å |
| 13 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 173.6 | -61.1 | 175.8 | 0 | 0 | 0 | 110.8 | H8 P9 M10 S15 W16 M17 P72 P105 V106 Y112 | H8-I13 HydrophobicContact CB-CG1 3.9Å; P9-I13 PolarHBondContact O-N 2.87Å; M10-I13 PolarHBondContact O-N 3.02Å; I13-S15 PolarHBondContact O-N 3.49Å; I13-W16 HydrophobicContact CG2-CE3 4.21Å; I13-W16 WeakPolarHBondContact O-CB 3.34Å; I13-W16 PolarHBondContact O-N 2.95Å; I13-M17 WeakPolarHBondContact O-CG 3.29Å; I13-M17 PolarHBondContact O-N 3.4Å; I13-P72 HydrophobicContact CD1-CB 4.42Å; I13-P105 HydrophobicContact CG2-CB 4.09Å; I13-V106 HydrophobicContact CD1-CG2 3.81Å; I13-Y112 HydrophobicContact CD1-CE1 3.72Å |
| 14 | N | 98.6 | Very high | 98.4 | Very high | 76 Ų | 76 | 54.4 Ų | 54.4 | 41% | 0.406 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 176.9 | -76.2 | -29.6 | 0 | 0 | 0 | 112 | M10 E11 W16 M17 A18 | M10-N14 WeakPolarHBondContact CE-OD1 3.29Å; M10-N14 WeakPolarHBondContact O-CB 3.48Å; M10-N14 VanDerWaalsContact O-CG 3.31Å; M10-N14 PolarHBondContact O-N 3.11Å; M10-N14 PolarHBondContact O-ND2 3.35Å; E11-N14 PolarHBondContact O-N 3.09Å; N14-W16 VanDerWaalsContact C-N 3.33Å; N14-M17 PolarHBondContact O-N 2.92Å; N14-A18 PolarHBondContact O-N 3.03Å |
| 15 | S | 98.6 | Very high | 98.3 | Very high | 74 Ų | 74 | 56.6 Ų | 56.6 | 52% | 0.517 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.2 | -38.5 | 177.2 | -69.6 | 0 | 0 | 0 | 0 | 111.6 | E11 E12 I13 A18 Q19 | E11-S15 WeakPolarHBondContact O-CB 3.39Å; E11-S15 PolarHBondContact O-N 3.46Å; E11-S15 PolarHBondContact O-OG 2.98Å; E12-S15 PolarHBondContact O-N 2.97Å; I13-S15 PolarHBondContact O-N 3.49Å; S15-A18 PolarHBondContact O-N 3.02Å; S15-Q19 WeakPolarHBondContact O-CB 3.32Å; S15-Q19 PolarHBondContact O-N 2.74Å |
| 16 | W | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 59 Ų | 59 | 0% | 0.004 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 172.5 | 165.2 | 80.7 | 0 | 0 | 0 | 112.7 | Y2 Y4 E12 I13 N14 A18 Q19 M20 M45 Q76 V79 P105 | Y2-W16 HydrophobicContact CD1-CB 4.48Å; Y2-W16 AromaticContact CD1-CD1 3.42Å; Y2-W16 VanDerWaalsContact CD1-CD1 3.42Å; Y2-W16 HydrophobicContact CD1-CG 4.03Å; Y2-W16 AromaticContact CD1-NE1 3.98Å; Y2-W16 HydrophobicContact CD2-CB 3.8Å; Y2-W16 HydrophobicContact CD2-CG 4.22Å; Y2-W16 HydrophobicContact CE1-CB 4.15Å; Y2-W16 AromaticContact CE1-CD1 3.57Å; Y2-W16 HydrophobicContact CE1-CD2 4.35Å; Y2-W16 AromaticContact CE1-CG 3.75Å; Y2-W16 HydrophobicContact CE1-CG 3.75Å; Y2-W16 HydrophobicContact CE2-CB 3.46Å; Y2-W16 VanDerWaalsContact CE2-CB 3.46Å; Y2-W16 AromaticContact CE2-CG 3.99Å; Y2-W16 HydrophobicContact CE2-CG 3.99Å; Y2-W16 HydrophobicContact CG-CB 4.29Å; Y2-W16 AromaticContact CG-CD1 3.65Å; Y2-W16 HydrophobicContact CG-CG 4.23Å; Y2-W16 AromaticContact CZ-CD1 3.96Å; Y2-W16 AromaticContact CZ-CG 3.71Å; Y4-W16 HydrophobicContact CE1-CZ2 4.34Å; Y4-W16 AromaticContact CE1-NE1 3.53Å; Y4-W16 AromaticContact CZ-NE1 3.48Å; Y4-W16 PolarHBondContact OH-NE1 3.04Å; E12-W16 WeakPolarHBondContact O-CB 3.41Å; E12-W16 PolarHBondContact O-N 2.66Å; I13-W16 HydrophobicContact CG2-CE3 4.21Å; I13-W16 WeakPolarHBondContact O-CB 3.34Å; I13-W16 PolarHBondContact O-N 2.95Å; N14-W16 VanDerWaalsContact C-N 3.33Å; W16-A18 VanDerWaalsContact C-N 3.31Å; W16-A18 PolarHBondContact O-N 3.31Å; W16-Q19 WeakPolarHBondContact O-CB 3.37Å; W16-Q19 PolarHBondContact O-N 3.33Å; W16-Q19 VanDerWaalsContact O-N 3.14Å; W16-M20 HydrophobicContact CD2-CG 4.33Å; W16-M20 HydrophobicContact CG-CG 4.49Å; W16-M20 HydrophobicContact CZ2-CG 4.07Å; W16-M20 WeakPolarHBondContact O-CG 3.36Å; W16-M20 PolarHBondContact O-N 2.93Å; W16-M45 HydrophobicContact CH2-SD 3.48Å; W16-M45 WeakPolarHBondContact CH2-SD 3.48Å; W16-M45 HydrophobicContact CZ2-SD 4.25Å; W16-M45 HydrophobicContact CZ3-SD 3.67Å; W16-Q76 HydrophobicContact CD2-CG 4.25Å; W16-Q76 HydrophobicContact CE3-CG 3.9Å; W16-Q76 HydrophobicContact CH2-CB 3.98Å; W16-Q76 HydrophobicContact CH2-CG 3.84Å; W16-Q76 HydrophobicContact CZ2-CB 3.91Å; W16-Q76 HydrophobicContact CZ2-CG 4.15Å; W16-Q76 HydrophobicContact CZ3-CB 4.35Å; W16-Q76 HydrophobicContact CZ3-CG 3.7Å; W16-V79 HydrophobicContact CH2-CB 3.88Å; W16-V79 HydrophobicContact CH2-CG1 3.97Å; W16-V79 HydrophobicContact CH2-CG2 4.01Å; W16-V79 HydrophobicContact CZ2-CB 3.83Å; W16-V79 HydrophobicContact CZ2-CG1 3.71Å; W16-V79 HydrophobicContact CZ2-CG2 4.46Å; W16-P105 HydrophobicContact CH2-CG 4.5Å; W16-P105 HydrophobicContact CZ3-CB 4.47Å; W16-P105 HydrophobicContact CZ3-CG 3.84Å |
| 17 | M | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.03 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.3 | -46.1 | 175.6 | -72 | 177.9 | 62.3 | 0 | 0 | 111.2 | I13 N14 Q19 M20 A21 I30 M45 P105 | I13-M17 WeakPolarHBondContact O-CG 3.29Å; I13-M17 PolarHBondContact O-N 3.4Å; N14-M17 PolarHBondContact O-N 2.92Å; M17-Q19 VanDerWaalsContact C-N 3.34Å; M17-Q19 PolarHBondContact O-N 3.15Å; M17-M20 PolarHBondContact O-N 2.92Å; M17-A21 PolarHBondContact O-N 2.96Å; M17-I30 HydrophobicContact CB-CD1 4.18Å; M17-I30 HydrophobicContact CE-CG2 4.25Å; M17-M45 HydrophobicContact CB-SD 4.49Å; M17-M45 HydrophobicContact CE-CG 3.84Å; M17-M45 HydrophobicContact CG-CG 4.2Å; M17-M45 HydrophobicContact CG-SD 4Å; M17-P105 HydrophobicContact CG-CG 4.43Å; M17-P105 HydrophobicContact SD-CG 3.99Å |
| 18 | A | 98.5 | Very high | 98.3 | Very high | 53 Ų | 53 | 54.4 Ų | 54.4 | 44% | 0.438 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63 | -39.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N14 S15 W16 A21 K22 | N14-A18 PolarHBondContact O-N 3.03Å; S15-A18 PolarHBondContact O-N 3.02Å; W16-A18 VanDerWaalsContact C-N 3.31Å; W16-A18 PolarHBondContact O-N 3.31Å; A18-A21 PolarHBondContact O-N 3.17Å; A18-K22 WeakPolarHBondContact O-CB 3.44Å; A18-K22 PolarHBondContact O-N 2.58Å |
| 19 | Q | 98.3 | Very high | 98.3 | Very high | 71 Ų | 71 | 57.3 Ų | 57.3 | 33% | 0.332 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.7 | -47.6 | 175.4 | -176.1 | -179.9 | 4.5 | 0 | 0 | 111.4 | S15 W16 M17 A21 K22 E23 | S15-Q19 WeakPolarHBondContact O-CB 3.32Å; S15-Q19 PolarHBondContact O-N 2.74Å; W16-Q19 WeakPolarHBondContact O-CB 3.37Å; W16-Q19 PolarHBondContact O-N 3.33Å; W16-Q19 VanDerWaalsContact O-N 3.14Å; M17-Q19 VanDerWaalsContact C-N 3.34Å; M17-Q19 PolarHBondContact O-N 3.15Å; Q19-A21 VanDerWaalsContact C-N 3.34Å; Q19-A21 PolarHBondContact O-N 2.85Å; Q19-K22 WeakPolarHBondContact O-CB 3.49Å; Q19-K22 PolarHBondContact O-N 2.83Å; Q19-K22 VanDerWaalsContact O-N 3.09Å; Q19-E23 HydrophobicContact CG-CG 4.29Å; Q19-E23 VanDerWaalsContact CG-OE1 3.27Å; Q19-E23 WeakPolarHBondContact CG-OE1 3.4Å; Q19-E23 PolarHBondContact NE2-OE1 2.91Å; Q19-E23 WeakPolarHBondContact O-CG 3.26Å; Q19-E23 PolarHBondContact O-N 3.45Å |
| 20 | M | 98.5 | Very high | 98.3 | Very high | 8 Ų | 8 | 58.5 Ų | 58.5 | 4% | 0.039 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 178.6 | -66.2 | -59.4 | 93.1 | 0 | 0 | 112.2 | W16 M17 K22 E23 Y24 M45 L83 | W16-M20 HydrophobicContact CD2-CG 4.33Å; W16-M20 HydrophobicContact CG-CG 4.49Å; W16-M20 HydrophobicContact CZ2-CG 4.07Å; W16-M20 WeakPolarHBondContact O-CG 3.36Å; W16-M20 PolarHBondContact O-N 2.93Å; M17-M20 PolarHBondContact O-N 2.92Å; M20-K22 VanDerWaalsContact C-N 3.28Å; M20-K22 PolarHBondContact O-N 2.9Å; M20-E23 VanDerWaalsContact CE-OE2 3.3Å; M20-E23 WeakPolarHBondContact CE-OE2 3.22Å; M20-E23 PolarHBondContact O-N 3.46Å; M20-Y24 WeakPolarHBondContact O-CB 3.37Å; M20-Y24 PolarHBondContact O-N 3.27Å; M20-Y24 HydrophobicContact SD-CD2 4.41Å; M20-Y24 HydrophobicContact SD-CE2 4.15Å; M20-M45 HydrophobicContact CB-CE 3.41Å; M20-M45 VanDerWaalsContact CB-CE 3.41Å; M20-M45 HydrophobicContact CG-CE 4.03Å; M20-L83 HydrophobicContact CB-CD1 4.43Å; M20-L83 HydrophobicContact SD-CD1 4.03Å |
| 21 | A | 98.3 | Very high | 98.3 | Very high | 24 Ų | 24 | 59.6 Ų | 59.6 | 20% | 0.198 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.9 | -34.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | M17 A18 Q19 P25 V28 I30 | M17-A21 PolarHBondContact O-N 2.96Å; A18-A21 PolarHBondContact O-N 3.17Å; Q19-A21 VanDerWaalsContact C-N 3.34Å; Q19-A21 PolarHBondContact O-N 2.85Å; A21-P25 WeakPolarHBondContact O-CA 3.09Å; A21-V28 HydrophobicContact CB-CG1 4.04Å; A21-I30 HydrophobicContact CB-CD1 4.01Å; A21-I30 HydrophobicContact CB-CG1 4.02Å |
| 22 | K | 98.2 | Very high | 98.3 | Very high | 176 Ų | 176 | 57.2 Ų | 57.2 | 77% | 0.765 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -75 | -39.3 | 177.3 | -177.3 | -178.2 | 176 | -175.2 | 0 | 112.8 | A18 Q19 M20 | A18-K22 WeakPolarHBondContact O-CB 3.44Å; A18-K22 PolarHBondContact O-N 2.58Å; Q19-K22 WeakPolarHBondContact O-CB 3.49Å; Q19-K22 PolarHBondContact O-N 2.83Å; Q19-K22 VanDerWaalsContact O-N 3.09Å; M20-K22 VanDerWaalsContact C-N 3.28Å; M20-K22 PolarHBondContact O-N 2.9Å |
| 23 | E | 97.6 | Very high | 98.3 | Very high | 101 Ų | 101 | 54.2 Ų | 54.2 | 47% | 0.472 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -79.2 | -29.8 | -178 | -72.3 | 177.7 | -175.1 | 0 | 0 | 112.7 | Q19 M20 P25 | Q19-E23 HydrophobicContact CG-CG 4.29Å; Q19-E23 VanDerWaalsContact CG-OE1 3.27Å; Q19-E23 WeakPolarHBondContact CG-OE1 3.4Å; Q19-E23 PolarHBondContact NE2-OE1 2.91Å; Q19-E23 WeakPolarHBondContact O-CG 3.26Å; Q19-E23 PolarHBondContact O-N 3.45Å; M20-E23 VanDerWaalsContact CE-OE2 3.3Å; M20-E23 WeakPolarHBondContact CE-OE2 3.22Å; M20-E23 PolarHBondContact O-N 3.46Å; E23-P25 WeakPolarHBondContact O-CD 3.42Å |
| 24 | Y | 98.1 | Very high | 98.3 | Very high | 62 Ų | 62 | 55.3 Ų | 55.3 | 24% | 0.243 | 31% | 0.305 | C | S | . | . | trans | -123.2 | 54.3 | -178.5 | -58.2 | -91.3 | 0 | 0 | 0 | 112.3 | M20 D26 V27 V28 L83 Y86 | M20-Y24 WeakPolarHBondContact O-CB 3.37Å; M20-Y24 PolarHBondContact O-N 3.27Å; M20-Y24 HydrophobicContact SD-CD2 4.41Å; M20-Y24 HydrophobicContact SD-CE2 4.15Å; Y24-D26 PolarHBondContact O-N 2.99Å; Y24-D26 VanDerWaalsContact O-N 3.08Å; Y24-V27 PolarHBondContact O-N 3.25Å; Y24-V27 VanDerWaalsContact O-N 3.07Å; Y24-V28 PolarHBondContact O-N 3.24Å; Y24-L83 HydrophobicContact CD1-CB 4.3Å; Y24-L83 HydrophobicContact CD1-CD2 4.14Å; Y24-L83 HydrophobicContact CD2-CD1 3.79Å; Y24-L83 HydrophobicContact CE1-CB 4.04Å; Y24-L83 HydrophobicContact CE2-CB 4.37Å; Y24-L83 HydrophobicContact CE2-CD1 4.06Å; Y24-L83 HydrophobicContact CG-CD1 4.12Å; Y24-L83 HydrophobicContact CG-CD2 4.05Å; Y24-L83 HydrophobicContact CG-CG 4.48Å; Y24-Y86 HydrophobicContact CD1-CE1 4.26Å; Y24-Y86 HydrophobicContact CE1-CE1 4.41Å | ||
| 25 | P | 97.4 | Very high | 98.3 | Very high | 72 Ų | 72 | 56.3 Ų | 56.3 | 47% | 0.468 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -16.8 | -170.9 | 29.9 | -37.4 | 0 | 0 | 0 | 114 | A21 E23 K50 | A21-P25 WeakPolarHBondContact O-CA 3.09Å; E23-P25 WeakPolarHBondContact O-CD 3.42Å; P25-K50 PolarHBondContact O-NZ 2.81Å |
| 26 | D | 96.1 | Very high | 98.3 | Very high | 107 Ų | 107 | 53 Ų | 53 | 57% | 0.572 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -23.9 | 177.7 | -66.5 | -35.1 | 0 | 0 | 0 | 113 | Y24 K50 | Y24-D26 PolarHBondContact O-N 2.99Å; Y24-D26 VanDerWaalsContact O-N 3.08Å; D26-K50 WeakPolarHBondContact O-CE 3.47Å |
| 27 | V | 98.3 | Very high | 98.3 | Very high | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.03 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129 | -14.7 | -171.6 | -60.4 | 0 | 0 | 0 | 0 | 114.7 | Y24 I47 G48 L49 L83 Y86 M96 | Y24-V27 PolarHBondContact O-N 3.25Å; Y24-V27 VanDerWaalsContact O-N 3.07Å; V27-I47 CarbonylContact O-C 3.34Å; V27-I47 WeakPolarHBondContact O-CA 3.3Å; V27-G48 VanDerWaalsContact CA-O 3.3Å; V27-G48 WeakPolarHBondContact CA-O 3.3Å; V27-G48 PolarHBondContact O-N 2.96Å; V27-L49 HydrophobicContact CG1-CD2 3.69Å; V27-L49 HydrophobicContact CG1-CG 4.42Å; V27-L83 HydrophobicContact CG2-CD2 3.78Å; V27-Y86 HydrophobicContact CG1-CD2 4.39Å; V27-Y86 HydrophobicContact CG1-CE2 3.82Å; V27-Y86 HydrophobicContact CG2-CE2 4.35Å; V27-M96 HydrophobicContact CB-CE 3.82Å; V27-M96 HydrophobicContact CG1-CE 4.07Å; V27-M96 HydrophobicContact CG2-CE 4.27Å |
| 28 | V | 98.7 | Very high | 98.2 | Very high | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.024 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 133.4 | 178.9 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | A21 Y24 M45 R46 I47 L83 | A21-V28 HydrophobicContact CB-CG1 4.04Å; Y24-V28 PolarHBondContact O-N 3.24Å; V28-M45 HydrophobicContact CG1-CE 3.46Å; V28-M45 VanDerWaalsContact CG1-CE 3.46Å; V28-M45 HydrophobicContact CG2-CE 4.45Å; V28-R46 WeakPolarHBondContact CA-O 3.35Å; V28-I47 HydrophobicContact CG2-CG1 4.3Å; V28-I47 HydrophobicContact CG2-CG2 4.45Å; V28-L83 HydrophobicContact CG2-CD1 3.97Å; V28-L83 HydrophobicContact CG2-CD2 3.64Å; V28-L83 HydrophobicContact CG2-CG 4.43Å |
| 29 | T | 98.5 | Very high | 98.2 | Very high | 70 Ų | 70 | 65.5 Ų | 65.5 | 43% | 0.429 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 134.4 | 169 | -56.5 | 0 | 0 | 0 | 0 | 109.5 | R46 | T29-R46 PolarHBondContact N-O 2.95Å; T29-R46 PolarHBondContact O-N 3.25Å |
| 30 | I | 98.6 | Very high | 98.3 | Very high | 61 Ų | 61 | 66.1 Ų | 66.1 | 31% | 0.313 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 132.6 | 172.4 | -60.8 | 171.8 | 0 | 0 | 0 | 108.5 | M17 A21 L44 | M17-I30 HydrophobicContact CB-CD1 4.18Å; M17-I30 HydrophobicContact CE-CG2 4.25Å; A21-I30 HydrophobicContact CB-CD1 4.01Å; A21-I30 HydrophobicContact CB-CG1 4.02Å; I30-L44 WeakPolarHBondContact CA-O 3.38Å |
| 31 | V | 98.6 | Very high | 98.3 | Very high | 37 Ų | 37 | 68 Ų | 68 | 22% | 0.224 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 119.9 | 177 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | S43 L44 R46 F180 | V31-S43 WeakPolarHBondContact O-CA 3.48Å; V31-L44 HydrophobicContact CB-CD1 3.69Å; V31-L44 HydrophobicContact CB-CG 4.1Å; V31-L44 HydrophobicContact CG2-CD1 4.02Å; V31-L44 PolarHBondContact N-O 2.83Å; V31-L44 PolarHBondContact O-N 3.35Å; V31-R46 HydrophobicContact CG2-CB 4.15Å; V31-F180 HydrophobicContact CG1-CE2 3.95Å; V31-F180 HydrophobicContact CG1-CZ 4.47Å |
| 32 | D | 98.6 | Very high | 98.3 | Very high | 104 Ų | 104 | 66.9 Ų | 66.9 | 56% | 0.556 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 127.2 | 170 | -63.7 | -12.9 | 0 | 0 | 0 | 108.5 | T41 S43 | D32-T41 HydrophobicContact CB-CG2 3.72Å; D32-T41 WeakPolarHBondContact OD1-CG2 3.46Å; D32-S43 WeakPolarHBondContact OD1-CB 3.41Å; D32-S43 PolarHBondContact OD1-OG 2.74Å |
| 33 | Y | 98.4 | Very high | 98.3 | Very high | 27 Ų | 27 | 59.5 Ų | 59.5 | 11% | 0.106 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 4.3 | -173.5 | 75.3 | -80.7 | 0 | 0 | 0 | 114.3 | I42 L44 W59 T104 L107 A176 V177 F180 | Y33-I42 HydrophobicContact CD1-CG2 4.4Å; Y33-I42 WeakPolarHBondContact CD1-O 3.34Å; Y33-I42 HydrophobicContact CE1-CB 4.27Å; Y33-I42 HydrophobicContact CE1-CG2 3.54Å; Y33-I42 HydrophobicContact CE2-CG2 4.36Å; Y33-I42 PolarHBondContact N-O 3.22Å; Y33-I42 WeakPolarHBondContact OH-CG2 3.34Å; Y33-L44 HydrophobicContact CD1-CB 4.24Å; Y33-L44 HydrophobicContact CD1-CD2 3.72Å; Y33-L44 HydrophobicContact CD1-CG 3.94Å; Y33-L44 HydrophobicContact CE1-CB 4.02Å; Y33-L44 HydrophobicContact CE1-CD2 3.92Å; Y33-L44 HydrophobicContact CE1-CG 4.19Å; Y33-L44 HydrophobicContact CG-CD2 4.2Å; Y33-W59 AromaticContact CE2-CH2 3.94Å; Y33-W59 HydrophobicContact CE2-CH2 3.94Å; Y33-W59 AromaticContact CZ-CH2 3.88Å; Y33-T104 HydrophobicContact CE1-CG2 4.26Å; Y33-T104 VanDerWaalsContact OH-CG2 3.26Å; Y33-T104 WeakPolarHBondContact OH-CG2 3.47Å; Y33-T104 PolarHBondContact OH-OG1 2.94Å; Y33-T104 VanDerWaalsContact OH-OG1 3.05Å; Y33-L107 WeakPolarHBondContact OH-CD1 3.36Å; Y33-A176 HydrophobicContact CD2-CB 3.8Å; Y33-A176 WeakPolarHBondContact CD2-O 3.22Å; Y33-A176 HydrophobicContact CE2-CB 3.68Å; Y33-V177 HydrophobicContact CE2-CG2 4.26Å; Y33-F180 VanDerWaalsContact CB-CD2 3.42Å; Y33-F180 HydrophobicContact CD2-CB 3.77Å; Y33-F180 HydrophobicContact CD2-CD2 4.37Å; Y33-F180 HydrophobicContact CD2-CG 4.11Å; Y33-F180 HydrophobicContact CG-CB 4.38Å; Y33-F180 HydrophobicContact CG-CD2 4.14Å; Y33-F180 HydrophobicContact CG-CG 4.29Å |
| 34 | G | 98.3 | Very high | 98.4 | Very high | 22 Ų | 22 | 54.7 Ų | 54.7 | 23% | 0.227 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.9 | -177.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I42 | G34-I42 PolarHBondContact N-O 2.99Å; G34-I42 PolarHBondContact O-N 2.95Å |
| 35 | K | 98.7 | Very high | 98.4 | Very high | 97 Ų | 97 | 51.7 Ų | 51.7 | 42% | 0.422 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 144.1 | 171.6 | -66.2 | -72.8 | 176.2 | 176.9 | 0 | 108.4 | R40 T41 P172 | K35-R40 CarbonylContact C-O 3.48Å; K35-R40 VanDerWaalsContact CA-O 3.23Å; K35-R40 WeakPolarHBondContact CA-O 3.03Å; K35-T41 PolarHBondContact NZ-OG1 2.97Å; K35-P172 WeakPolarHBondContact O-CB 3.27Å |
| 36 | S | 98.7 | Very high | 98.5 | Very high | 5 Ų | 5 | 53 Ų | 53 | 4% | 0.035 | 27% | 0.265 | C | S | . | . | trans | -74.2 | 174.1 | 168.2 | 67.6 | 0 | 0 | 0 | 0 | 111 | E38 N39 R40 D110 E173 | S36-E38 VanDerWaalsContact C-N 3.35Å; S36-E38 PolarHBondContact O-N 3.48Å; S36-N39 PolarHBondContact O-N 2.95Å; S36-R40 PolarHBondContact N-O 3.48Å; S36-R40 WeakPolarHBondContact OG-CB 3.43Å; S36-R40 PolarHBondContact OG-N 3.06Å; S36-R40 PolarHBondContact OG-O 3.26Å; S36-D110 VanDerWaalsContact CB-OD1 3.25Å; S36-D110 WeakPolarHBondContact CB-OD1 3.35Å; S36-D110 WeakPolarHBondContact CB-OD2 3.29Å; S36-D110 PolarHBondContact OG-OD1 3.19Å; S36-D110 PolarHBondContact OG-OD2 2.95Å; S36-D110 VanDerWaalsContact OG-OD2 3.04Å; S36-E173 WeakPolarHBondContact CA-OE1 3.41Å; S36-E173 WeakPolarHBondContact CB-OE1 3.43Å | ||
| 37 | Y | 98.3 | Very high | 98.6 | Very high | 120 Ų | 120 | 47.9 Ų | 47.9 | 47% | 0.471 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -44.1 | 177 | -176.4 | -90.7 | 0 | 0 | 0 | 113.1 | N39 D110 P130 E173 | Y37-N39 PolarHBondContact O-N 3.1Å; Y37-N39 VanDerWaalsContact O-N 3.09Å; Y37-D110 PolarHBondContact N-OD2 2.66Å; Y37-P130 HydrophobicContact CE1-CG 4.28Å; Y37-P130 HydrophobicContact CE2-CG 4.33Å; Y37-P130 WeakPolarHBondContact OH-CD 3.13Å; Y37-P130 VanDerWaalsContact OH-CG 3.23Å; Y37-P130 WeakPolarHBondContact OH-CG 3.42Å; Y37-E173 PolarHBondContact N-OE1 3.13Å |
| 38 | E | 98.6 | Very high | 98.6 | Very high | 83 Ų | 83 | 48 Ų | 48 | 39% | 0.388 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 20 | 176.9 | -59 | -177.9 | 178.9 | 0 | 0 | 112.6 | S36 R40 D110 R128 | S36-E38 VanDerWaalsContact C-N 3.35Å; S36-E38 PolarHBondContact O-N 3.48Å; E38-R40 VanDerWaalsContact C-N 3.34Å; E38-R40 PolarHBondContact O-N 3.27Å; E38-R40 IonicContact OE2-CZ 3.22Å; E38-R40 IonicContact OE2-NH1 3.79Å; E38-R40 PolarHBondContact OE2-NH1 3.11Å; E38-R40 IonicContact OE2-NH2 2.87Å; E38-R40 PolarHBondContact OE2-NH2 3.41Å; E38-D110 WeakPolarHBondContact CB-OD2 3.35Å; E38-D110 HydrophobicContact CG-CB 4.35Å; E38-D110 WeakPolarHBondContact CG-OD2 3.43Å; E38-D110 PolarHBondContact N-OD2 3.06Å; E38-R128 HydrophobicContact CG-CB 4.36Å; E38-R128 WeakPolarHBondContact OE1-CB 3.3Å |
| 39 | N | 98.5 | Very high | 98.5 | Very high | 119 Ų | 119 | 49.7 Ų | 49.7 | 64% | 0.636 | 25% | 0.249 | S | C | * | . | S | Bend | trans | 63.4 | 29.5 | 174.2 | -165.5 | 34.9 | 0 | 0 | 0 | 115 | S36 Y37 | S36-N39 PolarHBondContact O-N 2.95Å; Y37-N39 PolarHBondContact O-N 3.1Å; Y37-N39 VanDerWaalsContact O-N 3.09Å |
| 40 | R | 98.7 | Very high | 98.3 | Very high | 84 Ų | 84 | 53.7 Ų | 53.7 | 32% | 0.317 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -87.2 | 143.3 | 171.3 | -57 | -169.1 | -177.6 | 84.5 | 5 | 110.2 | K35 S36 E38 I42 V109 D110 | K35-R40 CarbonylContact C-O 3.48Å; K35-R40 VanDerWaalsContact CA-O 3.23Å; K35-R40 WeakPolarHBondContact CA-O 3.03Å; S36-R40 PolarHBondContact N-O 3.48Å; S36-R40 WeakPolarHBondContact OG-CB 3.43Å; S36-R40 PolarHBondContact OG-N 3.06Å; S36-R40 PolarHBondContact OG-O 3.26Å; E38-R40 VanDerWaalsContact C-N 3.34Å; E38-R40 PolarHBondContact O-N 3.27Å; E38-R40 IonicContact OE2-CZ 3.22Å; E38-R40 IonicContact OE2-NH1 3.79Å; E38-R40 PolarHBondContact OE2-NH1 3.11Å; E38-R40 IonicContact OE2-NH2 2.87Å; E38-R40 PolarHBondContact OE2-NH2 3.41Å; R40-I42 PolarHBondContact O-N 3.44Å; R40-V109 HydrophobicContact CB-CG1 3.94Å; R40-D110 IonicContact CZ-OD1 3.81Å; R40-D110 IonicContact NH1-OD1 3.89Å; R40-D110 PolarHBondContact NH1-OD1 2.8Å |
| 41 | T | 98.6 | Very high | 98 | Very high | 48 Ų | 48 | 53.2 Ų | 53.2 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 133.2 | 177.1 | -52.1 | 0 | 0 | 0 | 0 | 110.6 | D32 K35 S43 | D32-T41 HydrophobicContact CB-CG2 3.72Å; D32-T41 WeakPolarHBondContact OD1-CG2 3.46Å; K35-T41 PolarHBondContact NZ-OG1 2.97Å; T41-S43 VanDerWaalsContact CG2-OG 3.31Å; T41-S43 WeakPolarHBondContact CG2-OG 3.19Å |
| 42 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 116.4 | 166 | -47.4 | 174.9 | 0 | 0 | 0 | 106.6 | Y33 G34 R40 T104 L107 V109 E173 A176 | Y33-I42 HydrophobicContact CD1-CG2 4.4Å; Y33-I42 WeakPolarHBondContact CD1-O 3.34Å; Y33-I42 HydrophobicContact CE1-CB 4.27Å; Y33-I42 HydrophobicContact CE1-CG2 3.54Å; Y33-I42 HydrophobicContact CE2-CG2 4.36Å; Y33-I42 PolarHBondContact N-O 3.22Å; Y33-I42 WeakPolarHBondContact OH-CG2 3.34Å; G34-I42 PolarHBondContact N-O 2.99Å; G34-I42 PolarHBondContact O-N 2.95Å; R40-I42 PolarHBondContact O-N 3.44Å; I42-T104 HydrophobicContact CG2-CG2 4.42Å; I42-L107 HydrophobicContact CG2-CD1 4.13Å; I42-V109 HydrophobicContact CG1-CG2 4.29Å; I42-E173 HydrophobicContact CD1-CB 4.12Å; I42-E173 HydrophobicContact CD1-CG 3.91Å; I42-A176 HydrophobicContact CD1-CB 4.13Å |
| 43 | S | 98.6 | Very high | 97.3 | Very high | 21 Ų | 21 | 58.5 Ų | 58.5 | 15% | 0.147 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 151.5 | -175 | -53.1 | 0 | 0 | 0 | 0 | 110.3 | V31 D32 T41 | V31-S43 WeakPolarHBondContact O-CA 3.48Å; D32-S43 WeakPolarHBondContact OD1-CB 3.41Å; D32-S43 PolarHBondContact OD1-OG 2.74Å; T41-S43 VanDerWaalsContact CG2-OG 3.31Å; T41-S43 WeakPolarHBondContact CG2-OG 3.19Å |
| 44 | L | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 163.6 | 172.4 | 64.2 | 77.3 | 0 | 0 | 0 | 110.8 | I30 V31 Y33 R46 W59 Y102 I103 T104 F180 | I30-L44 WeakPolarHBondContact CA-O 3.38Å; V31-L44 HydrophobicContact CB-CD1 3.69Å; V31-L44 HydrophobicContact CB-CG 4.1Å; V31-L44 HydrophobicContact CG2-CD1 4.02Å; V31-L44 PolarHBondContact N-O 2.83Å; V31-L44 PolarHBondContact O-N 3.35Å; Y33-L44 HydrophobicContact CD1-CB 4.24Å; Y33-L44 HydrophobicContact CD1-CD2 3.72Å; Y33-L44 HydrophobicContact CD1-CG 3.94Å; Y33-L44 HydrophobicContact CE1-CB 4.02Å; Y33-L44 HydrophobicContact CE1-CD2 3.92Å; Y33-L44 HydrophobicContact CE1-CG 4.19Å; Y33-L44 HydrophobicContact CG-CD2 4.2Å; L44-R46 HydrophobicContact CD1-CB 4.39Å; L44-W59 HydrophobicContact CD2-CH2 3.99Å; L44-W59 HydrophobicContact CD2-CZ3 3.59Å; L44-Y102 HydrophobicContact CD1-CD1 3.65Å; L44-Y102 HydrophobicContact CD1-CE1 4.44Å; L44-Y102 HydrophobicContact CD2-CD1 4.17Å; L44-I103 CarbonylContact C-O 3.53Å; L44-I103 VanDerWaalsContact CA-O 3.31Å; L44-I103 WeakPolarHBondContact CA-O 3.46Å; L44-I103 WeakPolarHBondContact CB-O 3.36Å; L44-T104 WeakPolarHBondContact CB-OG1 3.43Å; L44-F180 HydrophobicContact CD2-CD1 4.22Å; L44-F180 HydrophobicContact CD2-CE1 3.68Å; L44-F180 HydrophobicContact CD2-CE2 4.25Å; L44-F180 HydrophobicContact CD2-CZ 3.66Å |
| 45 | M | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 119.3 | 168.2 | -57.2 | 179.7 | 70.3 | 0 | 0 | 108.9 | W16 M17 M20 V28 I47 V79 F101 I103 | W16-M45 HydrophobicContact CH2-SD 3.48Å; W16-M45 WeakPolarHBondContact CH2-SD 3.48Å; W16-M45 HydrophobicContact CZ2-SD 4.25Å; W16-M45 HydrophobicContact CZ3-SD 3.67Å; M17-M45 HydrophobicContact CB-SD 4.49Å; M17-M45 HydrophobicContact CE-CG 3.84Å; M17-M45 HydrophobicContact CG-CG 4.2Å; M17-M45 HydrophobicContact CG-SD 4Å; M20-M45 HydrophobicContact CB-CE 3.41Å; M20-M45 VanDerWaalsContact CB-CE 3.41Å; M20-M45 HydrophobicContact CG-CE 4.03Å; V28-M45 HydrophobicContact CG1-CE 3.46Å; V28-M45 VanDerWaalsContact CG1-CE 3.46Å; V28-M45 HydrophobicContact CG2-CE 4.45Å; M45-I47 HydrophobicContact CB-CD1 4.19Å; M45-I47 HydrophobicContact CB-CG1 4.05Å; M45-I47 HydrophobicContact CE-CD1 4.46Å; M45-V79 HydrophobicContact CE-CG1 3.78Å; M45-V79 HydrophobicContact SD-CG1 4.02Å; M45-V79 HydrophobicContact SD-CG2 4.14Å; M45-F101 VanDerWaalsContact O-O 3.06Å; M45-I103 PolarHBondContact N-O 2.88Å; M45-I103 PolarHBondContact O-N 3.45Å |
| 46 | R | 98.7 | Very high | 96.9 | Very high | 99 Ų | 99 | 63.6 Ų | 63.6 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 118.2 | 163.8 | 179.8 | -172.4 | 177.1 | -159.6 | -2.4 | 107.7 | V28 T29 V31 L44 D100 F101 Y102 | V28-R46 WeakPolarHBondContact CA-O 3.35Å; T29-R46 PolarHBondContact N-O 2.95Å; T29-R46 PolarHBondContact O-N 3.25Å; V31-R46 HydrophobicContact CG2-CB 4.15Å; L44-R46 HydrophobicContact CD1-CB 4.39Å; R46-D100 HydrophobicContact CG-CB 4.26Å; R46-D100 IonicContact CZ-OD2 3.59Å; R46-D100 IonicContact NE-OD1 3.72Å; R46-D100 IonicContact NE-OD2 3.66Å; R46-D100 PolarHBondContact NE-OD2 3.12Å; R46-D100 IonicContact NH2-OD1 2.75Å; R46-D100 IonicContact NH2-OD2 2.68Å; R46-D100 PolarHBondContact NH2-OD2 3.31Å; R46-F101 CarbonylContact C-O 3.55Å; R46-F101 WeakPolarHBondContact CA-O 3.39Å; R46-Y102 HydrophobicContact CB-CD1 4.25Å; R46-Y102 HydrophobicContact CB-CE1 4.03Å; R46-Y102 HydrophobicContact CG-CD1 4.38Å; R46-Y102 HydrophobicContact CG-CE1 3.83Å |
| 47 | I | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 123.2 | -176.8 | -49.8 | 175.4 | 0 | 0 | 0 | 109.5 | V27 V28 M45 V79 I82 L83 M96 F101 I103 | V27-I47 CarbonylContact O-C 3.34Å; V27-I47 WeakPolarHBondContact O-CA 3.3Å; V28-I47 HydrophobicContact CG2-CG1 4.3Å; V28-I47 HydrophobicContact CG2-CG2 4.45Å; M45-I47 HydrophobicContact CB-CD1 4.19Å; M45-I47 HydrophobicContact CB-CG1 4.05Å; M45-I47 HydrophobicContact CE-CD1 4.46Å; I47-V79 HydrophobicContact CD1-CB 4.11Å; I47-V79 HydrophobicContact CD1-CG1 3.69Å; I47-V79 HydrophobicContact CD1-CG2 3.62Å; I47-I82 HydrophobicContact CG2-CG2 4.05Å; I47-L83 HydrophobicContact CG2-CD2 3.94Å; I47-M96 HydrophobicContact CG2-CE 3.79Å; I47-F101 HydrophobicContact CB-CB 4.25Å; I47-F101 PolarHBondContact N-O 3.15Å; I47-F101 WeakPolarHBondContact O-CD2 3.35Å; I47-F101 PolarHBondContact O-N 2.88Å; I47-I103 HydrophobicContact CD1-CG1 4.39Å |
| 48 | G | 98.1 | Very high | 97 | Very high | 7 Ų | 7 | 57.9 Ų | 57.9 | 7% | 0.072 | 29% | 0.29 | C | S | . | . | trans | 175.1 | 155.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V27 | V27-G48 VanDerWaalsContact CA-O 3.3Å; V27-G48 WeakPolarHBondContact CA-O 3.3Å; V27-G48 PolarHBondContact O-N 2.96Å | ||
| 49 | L | 97.6 | Very high | 97 | Very high | 40 Ų | 40 | 53.9 Ų | 53.9 | 21% | 0.209 | 27% | 0.272 | C | S | . | . | trans | -70.6 | 142.2 | 172.8 | -69.8 | 165.6 | 0 | 0 | 0 | 110.1 | V27 T51 K55 Y86 E93 M96 T97 | V27-L49 HydrophobicContact CG1-CD2 3.69Å; V27-L49 HydrophobicContact CG1-CG 4.42Å; L49-T51 PolarHBondContact O-N 2.9Å; L49-K55 PolarHBondContact O-NZ 3.37Å; L49-Y86 HydrophobicContact CD2-CD2 4.14Å; L49-Y86 HydrophobicContact CD2-CE2 4.17Å; L49-E93 HydrophobicContact CD1-CG 4.01Å; L49-M96 HydrophobicContact CD1-CB 4.13Å; L49-M96 HydrophobicContact CG-CB 4.04Å; L49-M96 PolarHBondContact N-O 3.38Å; L49-T97 WeakPolarHBondContact CD1-OG1 3.49Å | ||
| 50 | K | 94.1 | Very high | 97 | Very high | 154 Ų | 154 | 48.2 Ų | 48.2 | 67% | 0.67 | 24% | 0.242 | S | C | * | . | trans | -73.1 | 121.6 | 173.7 | -69.6 | 174.7 | -173.3 | 165.2 | 0 | 109.2 | P25 D26 | P25-K50 PolarHBondContact O-NZ 2.81Å; D26-K50 WeakPolarHBondContact O-CE 3.47Å | ||
| 51 | T | 92.6 | Very high | 97 | Very high | 51 Ų | 51 | 44.2 Ų | 44.2 | 31% | 0.313 | 23% | 0.227 | S | C | . | . | trans | -141 | 154.3 | 178.4 | 64.8 | 0 | 0 | 0 | 0 | 109.5 | L49 A53 T97 | L49-T51 PolarHBondContact O-N 2.9Å; T51-A53 VanDerWaalsContact C-N 3.26Å; T51-A53 PolarHBondContact O-N 2.98Å; T51-T97 HydrophobicContact CG2-CG2 3.92Å | ||
| 52 | D | 90.8 | Very high | 97 | Very high | 184 Ų | 184 | 42 Ų | 42 | 98% | 0.984 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -76.6 | -14.3 | 174.1 | -60.5 | -40.7 | 0 | 0 | 0 | 113 | ||
| 53 | A | 90.8 | Very high | 97 | Very high | 68 Ų | 68 | 42 Ų | 42 | 56% | 0.562 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -72.9 | 146.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T51 K55 | T51-A53 VanDerWaalsContact C-N 3.26Å; T51-A53 PolarHBondContact O-N 2.98Å; A53-K55 PolarHBondContact O-N 3.24Å |
| 54 | K | 92.3 | Very high | 97 | Very high | 165 Ų | 165 | 41 Ų | 41 | 72% | 0.717 | 21% | 0.206 | S | C | * | . | P | Polyproline II helix | trans | -67.6 | 116.8 | 167.9 | -173.3 | -179 | 179.1 | -168.7 | 0 | 108.9 | D187 | K54-D187 WeakPolarHBondContact CE-OD1 3.37Å; K54-D187 IonicContact NZ-OD1 2.66Å; K54-D187 PolarHBondContact NZ-OD1 2.82Å; K54-D187 IonicContact NZ-OD2 3.95Å |
| 55 | K | 97.1 | Very high | 97 | Very high | 25 Ų | 25 | 41.2 Ų | 41.2 | 11% | 0.109 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -87.3 | 151.7 | -177.6 | -58.3 | -178.8 | 71.7 | -177.8 | 0 | 111.6 | L49 A53 M96 T97 N98 M99 D100 | L49-K55 PolarHBondContact O-NZ 3.37Å; A53-K55 PolarHBondContact O-N 3.24Å; K55-M96 WeakPolarHBondContact CE-O 3.39Å; K55-M96 PolarHBondContact NZ-O 2.95Å; K55-T97 VanDerWaalsContact CE-O 3.24Å; K55-T97 WeakPolarHBondContact CE-O 3.17Å; K55-N98 WeakPolarHBondContact CA-O 3.44Å; K55-M99 WeakPolarHBondContact CE-O 3.43Å; K55-M99 PolarHBondContact NZ-O 3.31Å; K55-D100 WeakPolarHBondContact CE-OD1 3.38Å; K55-D100 IonicContact NZ-OD1 2.58Å; K55-D100 PolarHBondContact NZ-OD1 2.92Å |
| 56 | K | 98.4 | Very high | 97 | Very high | 63 Ų | 63 | 41.2 Ų | 41.2 | 27% | 0.274 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 174.6 | 162.7 | -71.1 | -63.7 | -172.4 | -175.8 | 0 | 110.3 | N98 M99 D100 E186 D187 L189 T307 F308 | K56-N98 PolarHBondContact N-O 3.18Å; K56-M99 HydrophobicContact CB-CG 4.12Å; K56-M99 CarbonylContact O-C 3.58Å; K56-M99 WeakPolarHBondContact O-CA 3.33Å; K56-D100 PolarHBondContact O-N 3.1Å; K56-E186 PolarHBondContact NZ-O 3.31Å; K56-D187 CarbonylContact C-O 3.53Å; K56-D187 WeakPolarHBondContact CA-O 3.49Å; K56-D187 VanDerWaalsContact CD-O 3.31Å; K56-D187 WeakPolarHBondContact CD-O 3.43Å; K56-L189 HydrophobicContact CB-CD1 3.75Å; K56-L189 HydrophobicContact CB-CG 3.91Å; K56-L189 HydrophobicContact CD-CD2 4.09Å; K56-L189 HydrophobicContact CD-CG 4.31Å; K56-L189 HydrophobicContact CG-CD1 4.02Å; K56-L189 HydrophobicContact CG-CD2 4.25Å; K56-L189 HydrophobicContact CG-CG 4.14Å; K56-T307 HydrophobicContact CG-CG2 4.37Å; K56-F308 HydrophobicContact CB-CE2 4.3Å; K56-F308 HydrophobicContact CB-CZ 3.97Å; K56-F308 HydrophobicContact CG-CE2 4.29Å; K56-F308 HydrophobicContact CG-CZ 3.71Å |
| 57 | A | 98.5 | Very high | 97.1 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 3% | 0.033 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 146.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D100 Y102 D187 F188 L189 | A57-D100 CarbonylContact C-O 3.55Å; A57-D100 VanDerWaalsContact CA-O 3.29Å; A57-D100 WeakPolarHBondContact CA-O 3.33Å; A57-Y102 HydrophobicContact CB-CD2 3.87Å; A57-Y102 HydrophobicContact CB-CE2 3.68Å; A57-D187 HydrophobicContact CB-CB 4.45Å; A57-D187 PolarHBondContact N-O 3.27Å; A57-F188 HydrophobicContact CB-CD1 3.47Å; A57-F188 VanDerWaalsContact CB-CD1 3.47Å; A57-F188 HydrophobicContact CB-CE1 3.56Å; A57-F188 HydrophobicContact CB-CG 4Å; A57-F188 HydrophobicContact CB-CZ 4.15Å; A57-F188 CarbonylContact O-C 3.56Å; A57-F188 WeakPolarHBondContact O-CA 3.43Å; A57-L189 PolarHBondContact O-N 3.49Å |
| 58 | I | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 126.8 | 168.1 | -57.1 | -61.4 | 0 | 0 | 0 | 106.9 | M99 D100 F101 Y102 L189 C190 I300 | I58-M99 HydrophobicContact CD1-CE 4.29Å; I58-M99 HydrophobicContact CD1-SD 4.05Å; I58-M99 HydrophobicContact CG1-CE 4.13Å; I58-M99 HydrophobicContact CG1-SD 4.22Å; I58-D100 PolarHBondContact N-O 3.04Å; I58-F101 HydrophobicContact CB-CD1 4.16Å; I58-F101 HydrophobicContact CG1-CD1 4.37Å; I58-F101 HydrophobicContact CG1-CE1 4.43Å; I58-F101 HydrophobicContact CG2-CD1 4.34Å; I58-Y102 PolarHBondContact O-N 3.05Å; I58-L189 HydrophobicContact CD1-CB 4.31Å; I58-C190 HydrophobicContact CD1-CB 3.76Å; I58-C190 HydrophobicContact CG2-CB 4.25Å; I58-I300 HydrophobicContact CD1-CG1 4.42Å; I58-I300 HydrophobicContact CD1-CG2 4.17Å; I58-I300 HydrophobicContact CG1-CG2 4.08Å; I58-I300 HydrophobicContact CG2-CD1 3.92Å; I58-I300 HydrophobicContact CG2-CG1 3.95Å |
| 59 | W | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 132.9 | 170 | 179.2 | -91.9 | 0 | 0 | 0 | 110.2 | Y33 L44 D61 V177 F180 V181 F188 C190 F191 L192 | Y33-W59 AromaticContact CE2-CH2 3.94Å; Y33-W59 HydrophobicContact CE2-CH2 3.94Å; Y33-W59 AromaticContact CZ-CH2 3.88Å; L44-W59 HydrophobicContact CD2-CH2 3.99Å; L44-W59 HydrophobicContact CD2-CZ3 3.59Å; W59-D61 HydrophobicContact CZ2-CB 4.12Å; W59-D61 PolarHBondContact NE1-OD2 3.17Å; W59-V177 HydrophobicContact CZ2-CG1 4.1Å; W59-V177 HydrophobicContact CZ2-CG2 4.01Å; W59-F180 HydrophobicContact CE3-CD1 4.28Å; W59-F180 HydrophobicContact CE3-CE1 4.37Å; W59-F180 HydrophobicContact CH2-CD1 4.35Å; W59-F180 AromaticContact CZ3-CD1 3.56Å; W59-F180 HydrophobicContact CZ3-CD1 3.56Å; W59-F180 AromaticContact CZ3-CE1 3.78Å; W59-F180 HydrophobicContact CZ3-CE1 3.78Å; W59-V181 HydrophobicContact CD2-CG2 3.58Å; W59-V181 HydrophobicContact CE3-CG2 3.45Å; W59-V181 VanDerWaalsContact CE3-CG2 3.45Å; W59-V181 HydrophobicContact CG-CG2 4.17Å; W59-V181 HydrophobicContact CH2-CG2 4.16Å; W59-V181 HydrophobicContact CZ2-CG2 4.27Å; W59-V181 HydrophobicContact CZ3-CG2 3.76Å; W59-F188 HydrophobicContact CB-CD1 3.75Å; W59-F188 HydrophobicContact CB-CE1 3.68Å; W59-F188 HydrophobicContact CE3-CE1 4.19Å; W59-F188 HydrophobicContact CE3-CZ 4.24Å; W59-C190 PolarHBondContact N-O 3.34Å; W59-F191 HydrophobicContact CB-CD2 4.01Å; W59-F191 AromaticContact CD1-CD2 3.27Å; W59-F191 AromaticContact CD1-CE2 3.18Å; W59-F191 AromaticContact CD1-CG 3.79Å; W59-F191 AromaticContact CD1-CZ 3.61Å; W59-F191 HydrophobicContact CD2-CE2 4.39Å; W59-F191 AromaticContact CG-CD2 3.72Å; W59-F191 HydrophobicContact CG-CD2 3.72Å; W59-F191 AromaticContact CG-CE2 3.84Å; W59-F191 HydrophobicContact CG-CE2 3.84Å; W59-F191 HydrophobicContact CG-CG 4.44Å; W59-F191 AromaticContact NE1-CD2 3.97Å; W59-F191 AromaticContact NE1-CE2 3.36Å; W59-F191 AromaticContact NE1-CZ 3.53Å; W59-L192 PolarHBondContact O-N 3.01Å |
| 60 | M | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 121.6 | 166.9 | -174.9 | -178.5 | -72.2 | 0 | 0 | 110.2 | F74 F78 Y102 I103 T104 L192 I194 A296 | M60-F74 HydrophobicContact CE-CE1 4.12Å; M60-F74 HydrophobicContact CE-CZ 4.5Å; M60-F74 HydrophobicContact SD-CE1 3.91Å; M60-F78 HydrophobicContact CE-CD1 3.99Å; M60-F78 HydrophobicContact CE-CD2 3.82Å; M60-F78 HydrophobicContact CE-CE1 3.84Å; M60-F78 HydrophobicContact CE-CE2 3.72Å; M60-F78 HydrophobicContact CE-CG 3.98Å; M60-F78 HydrophobicContact CE-CZ 3.74Å; M60-F78 HydrophobicContact SD-CB 4.4Å; M60-F78 HydrophobicContact SD-CD1 3.91Å; M60-F78 HydrophobicContact SD-CD2 4.36Å; M60-F78 HydrophobicContact SD-CE1 4.27Å; M60-F78 HydrophobicContact SD-CG 3.97Å; M60-Y102 PolarHBondContact N-O 3.23Å; M60-I103 HydrophobicContact CB-CD1 3.55Å; M60-I103 HydrophobicContact CG-CD1 4.4Å; M60-I103 CarbonylContact O-C 3.55Å; M60-I103 WeakPolarHBondContact O-CA 3.27Å; M60-I103 HydrophobicContact SD-CD1 4.22Å; M60-T104 PolarHBondContact O-N 3.25Å; M60-L192 CarbonylContact C-O 3.39Å; M60-L192 WeakPolarHBondContact CA-O 3.39Å; M60-L192 HydrophobicContact CB-CB 4.46Å; M60-L192 HydrophobicContact CE-CD1 3.78Å; M60-L192 HydrophobicContact CG-CB 4.35Å; M60-I194 HydrophobicContact CG-CD1 4.4Å; M60-I194 HydrophobicContact CG-CG1 3.97Å; M60-I194 HydrophobicContact SD-CG1 4.36Å; M60-A296 HydrophobicContact CE-CB 4.1Å |
| 61 | D | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 146.9 | 169.8 | 65.3 | 84.2 | 0 | 0 | 0 | 111.6 | W59 F191 L192 T193 I194 | W59-D61 HydrophobicContact CZ2-CB 4.12Å; W59-D61 PolarHBondContact NE1-OD2 3.17Å; D61-F191 WeakPolarHBondContact OD2-CZ 3.34Å; D61-L192 PolarHBondContact N-O 3.27Å; D61-T193 WeakPolarHBondContact OD1-CB 3.36Å; D61-T193 PolarHBondContact OD1-OG1 3.03Å; D61-I194 PolarHBondContact O-N 3.35Å |
| 62 | C | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 161.9 | 175.2 | -66 | 0 | 0 | 0 | 0 | 110 | I64 A71 C75 T104 P105 V106 L107 I194 | C62-I64 VanDerWaalsContact C-N 3.3Å; C62-I64 PolarHBondContact O-N 2.86Å; C62-A71 HydrophobicContact CB-CB 4.2Å; C62-A71 WeakPolarHBondContact CB-O 3.16Å; C62-A71 PolarHBondContact SG-O 3.39Å; C62-C75 HydrophobicContact CB-CB 3.78Å; C62-C75 WeakPolarHBondContact CB-SG 3.48Å; C62-C75 WeakPolarHBondContact SG-CB 3.49Å; C62-C75 CovalentContact SG-SG 2.03Å; C62-C75 PolarHBondContact SG-SG 2.84Å; C62-T104 PolarHBondContact N-O 2.86Å; C62-P105 CarbonylContact C-O 3.6Å; C62-P105 VanDerWaalsContact CB-O 3.23Å; C62-P105 WeakPolarHBondContact CB-O 3.31Å; C62-V106 WeakPolarHBondContact O-CA 3.42Å; C62-L107 PolarHBondContact O-N 3Å; C62-I194 HydrophobicContact CB-CB 4.48Å; C62-I194 VanDerWaalsContact SG-CB 3.59Å |
| 63 | G | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.01 | 10% | 0.096 | C | C | . | . | trans | 64.6 | 31.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | H65 N108 | G63-H65 VanDerWaalsContact C-N 3.26Å; G63-N108 WeakPolarHBondContact O-CB 3.31Å; G63-N108 PolarHBondContact O-N 3.28Å | ||
| 64 | I | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -66.6 | -31.3 | 168.7 | -173.6 | 170.8 | 0 | 0 | 0 | 111.2 | C62 L107 N108 L141 N142 F145 H195 | C62-I64 VanDerWaalsContact C-N 3.3Å; C62-I64 PolarHBondContact O-N 2.86Å; I64-L107 HydrophobicContact CB-CB 4.46Å; I64-L107 HydrophobicContact CB-CD2 4.02Å; I64-L107 HydrophobicContact CD1-CD2 3.88Å; I64-L107 HydrophobicContact CG1-CD2 3.84Å; I64-N108 VanDerWaalsContact O-CB 3.25Å; I64-N108 WeakPolarHBondContact O-CB 3.35Å; I64-N108 PolarHBondContact O-ND2 3.45Å; I64-L141 HydrophobicContact CD1-CB 3.88Å; I64-L141 HydrophobicContact CG1-CB 3.52Å; I64-L141 HydrophobicContact CG1-CD1 4.1Å; I64-L141 HydrophobicContact CG1-CG 4.48Å; I64-N142 HydrophobicContact CD1-CB 4.1Å; I64-F145 HydrophobicContact CD1-CE2 4.02Å; I64-H195 WeakPolarHBondContact CG2-CE1 3.22Å; I64-H195 WeakPolarHBondContact CG2-NE2 3.38Å |
| 65 | H | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 8 Ų | 8 | 1% | 0.014 | 4% | 0.035 | C | C | . | . | S | Bend | trans | -102.8 | 128.1 | 164.6 | -57 | 139.1 | 0 | 0 | 0 | 110.5 | G63 R67 E68 R125 D140 N142 H195 | G63-H65 VanDerWaalsContact C-N 3.26Å; H65-R67 PolarHBondContact O-N 3.23Å; H65-E68 HydrophobicContact CB-CB 4.5Å; H65-E68 VanDerWaalsContact CB-CD 3.48Å; H65-E68 HydrophobicContact CB-CG 4Å; H65-E68 VanDerWaalsContact CB-OE1 3.28Å; H65-E68 WeakPolarHBondContact CB-OE1 3.46Å; H65-E68 IonicContact CE1-OE1 3.33Å; H65-E68 IonicContact CG-OE1 2.84Å; H65-E68 IonicContact CG-OE2 3.49Å; H65-E68 VanDerWaalsContact ND1-CD 3.34Å; H65-E68 IonicContact ND1-OE1 3.37Å; H65-E68 PolarHBondContact ND1-OE1 2.96Å; H65-E68 IonicContact ND1-OE2 3.03Å; H65-E68 PolarHBondContact ND1-OE2 3.32Å; H65-E68 PolarHBondContact O-N 3.33Å; H65-R125 WeakPolarHBondContact CA-O 3.43Å; H65-R125 HydrophobicContact CB-CG 3.94Å; H65-R125 PolarHBondContact CE1-NH1 3.01Å; H65-R125 PolarHBondContact CE1-NH2 3.17Å; H65-R125 PolarHBondContact ND1-NH1 3.34Å; H65-R125 PolarHBondContact NE2-NH2 3.05Å; H65-D140 IonicContact CD2-OD1 2.7Å; H65-D140 IonicContact NE2-OD1 2.64Å; H65-D140 PolarHBondContact NE2-OD1 3.41Å; H65-D140 VanDerWaalsContact NE2-OD1 3.11Å; H65-N142 WeakPolarHBondContact NE2-CB 3.47Å; H65-H195 AromaticContact CE1-CE1 3.18Å; H65-H195 PolarHBondContact CE1-CE1 3.05Å; H65-H195 AromaticContact CE1-ND1 3.3Å; H65-H195 PolarHBondContact CE1-ND1 3.33Å; H65-H195 VanDerWaalsContact CE1-ND1 3.3Å; H65-H195 AromaticContact ND1-CE1 3.44Å; H65-H195 PolarHBondContact ND1-CE1 3.48Å; H65-H195 AromaticContact ND1-ND1 3.13Å; H65-H195 PolarHBondContact ND1-ND1 3.39Å; H65-H195 VanDerWaalsContact ND1-ND1 3.13Å; H65-H195 AromaticContact NE2-CE1 3.93Å |
| 66 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.031 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -40.7 | -169.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E68 W69 G111 W124 R125 | A66-E68 VanDerWaalsContact C-N 3.28Å; A66-E68 PolarHBondContact O-N 2.96Å; A66-W69 PolarHBondContact O-NE1 3.43Å; A66-G111 WeakPolarHBondContact CB-O 3.3Å; A66-W124 CarbonylContact C-O 3.13Å; A66-W124 VanDerWaalsContact CB-O 3.26Å; A66-W124 WeakPolarHBondContact CB-O 3.37Å; A66-R125 PolarHBondContact N-O 3.37Å |
| 67 | R | 98.9 | Very high | 98.9 | Very high | 35 Ų | 35 | 4.7 Ų | 4.7 | 13% | 0.132 | 2% | 0.02 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -12.8 | -177.7 | 65.2 | -165.8 | -173.8 | -170.9 | 1.5 | 115.6 | H65 W69 R122 L123 W124 F278 | H65-R67 PolarHBondContact O-N 3.23Å; R67-W69 PolarHBondContact O-N 3.45Å; R67-R122 WeakPolarHBondContact CB-O 3.45Å; R67-R122 PolarHBondContact O-NH1 2.98Å; R67-L123 WeakPolarHBondContact CD-O 3.24Å; R67-L123 PolarHBondContact NH1-O 3.42Å; R67-W124 VanDerWaalsContact CB-O 3.25Å; R67-W124 WeakPolarHBondContact CB-O 3.31Å; R67-W124 PolarHBondContact N-O 2.91Å; R67-F278 HydrophobicContact CB-CB 4.42Å; R67-F278 HydrophobicContact CG-CB 4.3Å; R67-F278 HydrophobicContact CG-CD1 3.99Å; R67-F278 HydrophobicContact CG-CD2 4.28Å; R67-F278 HydrophobicContact CG-CE1 4.39Å; R67-F278 HydrophobicContact CG-CG 3.92Å; R67-F278 VanDerWaalsContact NE-CE2 3.28Å; R67-F278 VanDerWaalsContact NE-CZ 3.35Å; R67-F278 VanDerWaalsContact NH2-CZ 3.33Å |
| 68 | E | 98.9 | Very high | 98.9 | Very high | 3 Ų | 3 | 4.5 Ų | 4.5 | 1% | 0.014 | 2% | 0.019 | C | C | . | . | trans | -85.3 | 58.4 | -171.9 | -67.7 | 174.3 | -157.3 | 0 | 0 | 110.5 | H65 A66 I70 A71 P72 R125 H195 S196 F278 | H65-E68 HydrophobicContact CB-CB 4.5Å; H65-E68 VanDerWaalsContact CB-CD 3.48Å; H65-E68 HydrophobicContact CB-CG 4Å; H65-E68 VanDerWaalsContact CB-OE1 3.28Å; H65-E68 WeakPolarHBondContact CB-OE1 3.46Å; H65-E68 IonicContact CE1-OE1 3.33Å; H65-E68 IonicContact CG-OE1 2.84Å; H65-E68 IonicContact CG-OE2 3.49Å; H65-E68 VanDerWaalsContact ND1-CD 3.34Å; H65-E68 IonicContact ND1-OE1 3.37Å; H65-E68 PolarHBondContact ND1-OE1 2.96Å; H65-E68 IonicContact ND1-OE2 3.03Å; H65-E68 PolarHBondContact ND1-OE2 3.32Å; H65-E68 PolarHBondContact O-N 3.33Å; A66-E68 VanDerWaalsContact C-N 3.28Å; A66-E68 PolarHBondContact O-N 2.96Å; E68-I70 PolarHBondContact O-N 3.3Å; E68-I70 VanDerWaalsContact O-N 3.08Å; E68-A71 WeakPolarHBondContact O-CB 3.31Å; E68-A71 PolarHBondContact O-N 2.94Å; E68-P72 WeakPolarHBondContact O-CD 3.49Å; E68-R125 IonicContact OE1-NH1 2.71Å; E68-R125 PolarHBondContact OE1-NH1 3.43Å; E68-H195 VanDerWaalsContact OE2-CA 3.22Å; E68-H195 WeakPolarHBondContact OE2-CA 3.44Å; E68-H195 VanDerWaalsContact OE2-CB 3.26Å; E68-H195 WeakPolarHBondContact OE2-CB 3.49Å; E68-H195 IonicContact OE2-CG 3.84Å; E68-H195 IonicContact OE2-ND1 3.33Å; E68-H195 PolarHBondContact OE2-ND1 2.94Å; E68-S196 VanDerWaalsContact CB-OG 3.27Å; E68-S196 WeakPolarHBondContact CB-OG 3.14Å; E68-S196 WeakPolarHBondContact CG-O 3.3Å; E68-S196 WeakPolarHBondContact CG-OG 3.49Å; E68-S196 PolarHBondContact OE2-N 3.3Å; E68-F278 HydrophobicContact CG-CD1 3.74Å; E68-F278 HydrophobicContact CG-CE1 3.83Å | ||
| 69 | W | 98.9 | Very high | 98.9 | Very high | 26 Ų | 26 | 4.5 Ų | 4.5 | 10% | 0.098 | 2% | 0.019 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -24.3 | -167.8 | -72.5 | 3.7 | 0 | 0 | 0 | 115.2 | Y7 A66 R67 A71 P72 A73 Y112 S115 W116 R122 | Y7-W69 HydrophobicContact CD1-CB 3.67Å; Y7-W69 AromaticContact CD2-CE3 3.87Å; Y7-W69 HydrophobicContact CD2-CE3 3.87Å; Y7-W69 HydrophobicContact CE1-CB 3.76Å; Y7-W69 HydrophobicContact CG-CB 4.17Å; Y7-W69 AromaticContact CG-CE3 3.84Å; Y7-W69 HydrophobicContact CG-CE3 3.84Å; A66-W69 PolarHBondContact O-NE1 3.43Å; R67-W69 PolarHBondContact O-N 3.45Å; W69-A71 VanDerWaalsContact C-N 3.27Å; W69-A71 PolarHBondContact O-N 2.82Å; W69-P72 WeakPolarHBondContact O-CD 3.28Å; W69-A73 PolarHBondContact O-N 3.36Å; W69-Y112 AromaticContact CD1-CE2 3.5Å; W69-Y112 HydrophobicContact CG-CE2 4.17Å; W69-Y112 AromaticContact NE1-CE2 3.78Å; W69-S115 PolarHBondContact NE1-OG 2.93Å; W69-W116 HydrophobicContact CD2-CZ2 4.13Å; W69-W116 AromaticContact CE2-CE2 3.79Å; W69-W116 AromaticContact CE2-NE1 3.58Å; W69-W116 HydrophobicContact CE3-CH2 4.27Å; W69-W116 AromaticContact CE3-CZ2 3.89Å; W69-W116 HydrophobicContact CE3-CZ2 3.89Å; W69-W116 AromaticContact CH2-CD2 3.61Å; W69-W116 HydrophobicContact CH2-CD2 3.61Å; W69-W116 AromaticContact CH2-CE2 3.58Å; W69-W116 AromaticContact CH2-CE3 3.76Å; W69-W116 HydrophobicContact CH2-CE3 3.76Å; W69-W116 HydrophobicContact CH2-CG 4.24Å; W69-W116 AromaticContact CH2-CH2 3.9Å; W69-W116 HydrophobicContact CH2-CH2 3.9Å; W69-W116 AromaticContact CH2-CZ2 3.74Å; W69-W116 HydrophobicContact CH2-CZ2 3.74Å; W69-W116 AromaticContact CH2-CZ3 3.91Å; W69-W116 HydrophobicContact CH2-CZ3 3.91Å; W69-W116 AromaticContact CZ2-CD1 3.76Å; W69-W116 AromaticContact CZ2-CD2 3.6Å; W69-W116 HydrophobicContact CZ2-CD2 3.6Å; W69-W116 AromaticContact CZ2-CE2 3.45Å; W69-W116 VanDerWaalsContact CZ2-CE2 3.45Å; W69-W116 HydrophobicContact CZ2-CE3 4.24Å; W69-W116 AromaticContact CZ2-CG 3.8Å; W69-W116 HydrophobicContact CZ2-CG 3.8Å; W69-W116 AromaticContact CZ2-CZ2 3.99Å; W69-W116 HydrophobicContact CZ2-CZ2 3.99Å; W69-W116 AromaticContact CZ2-NE1 3.52Å; W69-W116 HydrophobicContact CZ3-CD2 4.4Å; W69-W116 HydrophobicContact CZ3-CE3 4.42Å; W69-W116 AromaticContact CZ3-CH2 3.74Å; W69-W116 HydrophobicContact CZ3-CH2 3.74Å; W69-W116 AromaticContact CZ3-CZ2 3.7Å; W69-W116 HydrophobicContact CZ3-CZ2 3.7Å; W69-W116 HydrophobicContact CZ3-CZ3 4.11Å; W69-W116 AromaticContact NE1-NE1 3.83Å; W69-R122 VanDerWaalsContact CD2-NH2 3.28Å; W69-R122 VanDerWaalsContact CE3-NE 3.31Å; W69-R122 VanDerWaalsContact CE3-NH2 3.34Å; W69-R122 VanDerWaalsContact CH2-NE 3.29Å; W69-R122 VanDerWaalsContact CZ2-NE 3.34Å; W69-R122 VanDerWaalsContact CZ3-NE 3.26Å |
| 70 | I | 98.9 | Very high | 98.9 | Very high | 3 Ų | 3 | 7.3 Ų | 7.3 | 2% | 0.015 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -66.9 | -26.5 | 174.8 | -171.2 | 58.7 | 0 | 0 | 0 | 112.9 | Y7 E68 A73 F74 S196 L270 L280 I285 T288 | Y7-I70 HydrophobicContact CE1-CB 4.42Å; E68-I70 PolarHBondContact O-N 3.3Å; E68-I70 VanDerWaalsContact O-N 3.08Å; I70-A73 HydrophobicContact CD1-CB 4.43Å; I70-A73 PolarHBondContact O-N 2.97Å; I70-F74 WeakPolarHBondContact O-CB 3.42Å; I70-F74 PolarHBondContact O-N 3.48Å; I70-S196 WeakPolarHBondContact CG2-OG 3.33Å; I70-L270 HydrophobicContact CG1-CD1 4.2Å; I70-L270 HydrophobicContact CG2-CB 4.25Å; I70-L270 HydrophobicContact CG2-CD1 4.39Å; I70-L280 HydrophobicContact CB-CD2 4.23Å; I70-L280 HydrophobicContact CD1-CD2 4.17Å; I70-L280 HydrophobicContact CG1-CD2 3.9Å; I70-I285 HydrophobicContact CD1-CB 4.26Å; I70-I285 HydrophobicContact CD1-CG1 4.02Å; I70-I285 HydrophobicContact CD1-CG2 4.25Å; I70-T288 HydrophobicContact CD1-CG2 4.03Å; I70-T288 HydrophobicContact CG1-CG2 3.67Å |
| 71 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -67.7 | -52.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | C62 E68 W69 A73 F74 C75 I194 | C62-A71 HydrophobicContact CB-CB 4.2Å; C62-A71 WeakPolarHBondContact CB-O 3.16Å; C62-A71 PolarHBondContact SG-O 3.39Å; E68-A71 WeakPolarHBondContact O-CB 3.31Å; E68-A71 PolarHBondContact O-N 2.94Å; W69-A71 VanDerWaalsContact C-N 3.27Å; W69-A71 PolarHBondContact O-N 2.82Å; A71-A73 VanDerWaalsContact C-N 3.29Å; A71-A73 PolarHBondContact O-N 3.16Å; A71-F74 WeakPolarHBondContact O-CB 3.46Å; A71-F74 PolarHBondContact O-N 3.31Å; A71-F74 VanDerWaalsContact O-N 3.13Å; A71-C75 PolarHBondContact O-N 3.16Å; A71-I194 HydrophobicContact CB-CB 4.22Å; A71-I194 HydrophobicContact CB-CG2 3.87Å; A71-I194 VanDerWaalsContact CB-O 3.29Å; A71-I194 WeakPolarHBondContact CB-O 3.46Å |
| 72 | P | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -55 | -40.7 | 171.3 | -30.5 | 37 | 0 | 0 | 0 | 114.2 | I13 E68 W69 F74 C75 Q76 P105 V106 Y112 | I13-P72 HydrophobicContact CD1-CB 4.42Å; E68-P72 WeakPolarHBondContact O-CD 3.49Å; W69-P72 WeakPolarHBondContact O-CD 3.28Å; P72-F74 VanDerWaalsContact C-N 3.33Å; P72-F74 PolarHBondContact O-N 3.3Å; P72-C75 PolarHBondContact O-N 3.37Å; P72-Q76 VanDerWaalsContact C-NE2 3.33Å; P72-Q76 WeakPolarHBondContact O-CG 3.31Å; P72-Q76 PolarHBondContact O-N 3.27Å; P72-Q76 PolarHBondContact O-NE2 3.42Å; P72-P105 WeakPolarHBondContact CA-O 3.38Å; P72-P105 WeakPolarHBondContact CB-O 3.46Å; P72-V106 HydrophobicContact CB-CG2 3.95Å; P72-V106 HydrophobicContact CG-CG2 4.05Å; P72-Y112 HydrophobicContact CB-CE2 4.39Å; P72-Y112 HydrophobicContact CG-CD2 4.35Å; P72-Y112 HydrophobicContact CG-CE2 3.91Å |
| 73 | A | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 9 Ų | 9 | 3% | 0.033 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -61.4 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y7 W69 I70 A71 Q76 Y77 I285 | Y7-A73 HydrophobicContact CD1-CB 4.29Å; Y7-A73 HydrophobicContact CE1-CB 4.33Å; W69-A73 PolarHBondContact O-N 3.36Å; I70-A73 HydrophobicContact CD1-CB 4.43Å; I70-A73 PolarHBondContact O-N 2.97Å; A71-A73 VanDerWaalsContact C-N 3.29Å; A71-A73 PolarHBondContact O-N 3.16Å; A73-Q76 PolarHBondContact O-N 3Å; A73-Y77 PolarHBondContact O-N 3.11Å; A73-I285 HydrophobicContact CB-CG2 4.13Å |
| 74 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.3 | -46.2 | 174.6 | 171.7 | -109.4 | 0 | 0 | 0 | 112.8 | M60 I70 A71 P72 Q76 Y77 F78 I194 L270 C289 A292 Y293 A296 | M60-F74 HydrophobicContact CE-CE1 4.12Å; M60-F74 HydrophobicContact CE-CZ 4.5Å; M60-F74 HydrophobicContact SD-CE1 3.91Å; I70-F74 WeakPolarHBondContact O-CB 3.42Å; I70-F74 PolarHBondContact O-N 3.48Å; A71-F74 WeakPolarHBondContact O-CB 3.46Å; A71-F74 PolarHBondContact O-N 3.31Å; A71-F74 VanDerWaalsContact O-N 3.13Å; P72-F74 VanDerWaalsContact C-N 3.33Å; P72-F74 PolarHBondContact O-N 3.3Å; F74-Q76 PolarHBondContact O-N 3.06Å; F74-Y77 PolarHBondContact O-N 2.81Å; F74-Y77 VanDerWaalsContact O-N 3.15Å; F74-F78 HydrophobicContact CE2-CB 4.31Å; F74-F78 HydrophobicContact CE2-CD2 4.37Å; F74-F78 HydrophobicContact CZ-CB 4.23Å; F74-F78 AromaticContact CZ-CD2 3.86Å; F74-F78 HydrophobicContact CZ-CD2 3.86Å; F74-F78 HydrophobicContact CZ-CG 4.4Å; F74-F78 WeakPolarHBondContact O-CB 3.14Å; F74-F78 PolarHBondContact O-N 3.37Å; F74-I194 HydrophobicContact CD1-CB 4.43Å; F74-I194 HydrophobicContact CD1-CD1 4.39Å; F74-I194 HydrophobicContact CD1-CG1 4Å; F74-I194 HydrophobicContact CD1-CG2 3.81Å; F74-I194 HydrophobicContact CE1-CD1 4.02Å; F74-I194 HydrophobicContact CE1-CG1 4.04Å; F74-I194 HydrophobicContact CE1-CG2 4.44Å; F74-L270 HydrophobicContact CB-CD1 3.92Å; F74-L270 HydrophobicContact CG-CD1 4.25Å; F74-C289 HydrophobicContact CD2-CB 4.38Å; F74-A292 HydrophobicContact CD2-CB 3.61Å; F74-A292 HydrophobicContact CE1-CB 4.47Å; F74-A292 HydrophobicContact CE2-CB 3.44Å; F74-A292 VanDerWaalsContact CE2-CB 3.44Å; F74-A292 HydrophobicContact CG-CB 4.22Å; F74-A292 HydrophobicContact CZ-CB 3.88Å; F74-Y293 VanDerWaalsContact CE2-N 3.32Å; F74-A296 HydrophobicContact CZ-CB 4.08Å |
| 75 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.4 | -39.7 | 177.5 | -93.7 | 0 | 0 | 0 | 0 | 112 | C62 A71 P72 F78 V79 I103 P105 | C62-C75 HydrophobicContact CB-CB 3.78Å; C62-C75 WeakPolarHBondContact CB-SG 3.48Å; C62-C75 WeakPolarHBondContact SG-CB 3.49Å; C62-C75 CovalentContact SG-SG 2.03Å; C62-C75 PolarHBondContact SG-SG 2.84Å; A71-C75 PolarHBondContact O-N 3.16Å; P72-C75 PolarHBondContact O-N 3.37Å; C75-F78 PolarHBondContact O-N 2.97Å; C75-V79 WeakPolarHBondContact O-CG2 3.12Å; C75-V79 PolarHBondContact O-N 2.96Å; C75-V79 VanDerWaalsContact O-N 3.13Å; C75-I103 HydrophobicContact CB-CG2 4.04Å; C75-P105 HydrophobicContact CB-CB 4.25Å |
| 76 | Q | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 15.7 Ų | 15.7 | 1% | 0.014 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.9 | -45.4 | 176.3 | -64.1 | 158.1 | 50.9 | 0 | 0 | 111.8 | Y2 Y4 W16 P72 A73 F74 F78 V79 R80 | Y2-Q76 VanDerWaalsContact CE1-OE1 3.27Å; Y2-Q76 PolarHBondContact OH-OE1 3.5Å; Y4-Q76 HydrophobicContact CD1-CB 4.19Å; Y4-Q76 HydrophobicContact CE1-CB 4.24Å; Y4-Q76 WeakPolarHBondContact CE1-O 3.35Å; W16-Q76 HydrophobicContact CD2-CG 4.25Å; W16-Q76 HydrophobicContact CE3-CG 3.9Å; W16-Q76 HydrophobicContact CH2-CB 3.98Å; W16-Q76 HydrophobicContact CH2-CG 3.84Å; W16-Q76 HydrophobicContact CZ2-CB 3.91Å; W16-Q76 HydrophobicContact CZ2-CG 4.15Å; W16-Q76 HydrophobicContact CZ3-CB 4.35Å; W16-Q76 HydrophobicContact CZ3-CG 3.7Å; P72-Q76 VanDerWaalsContact C-NE2 3.33Å; P72-Q76 WeakPolarHBondContact O-CG 3.31Å; P72-Q76 PolarHBondContact O-N 3.27Å; P72-Q76 PolarHBondContact O-NE2 3.42Å; A73-Q76 PolarHBondContact O-N 3Å; F74-Q76 PolarHBondContact O-N 3.06Å; Q76-F78 VanDerWaalsContact C-N 3.35Å; Q76-F78 PolarHBondContact O-N 2.83Å; Q76-V79 PolarHBondContact O-N 3.11Å; Q76-R80 PolarHBondContact O-N 3.47Å |
| 77 | Y | 98.9 | Very high | 98.2 | Very high | 15 Ų | 15 | 22.9 Ų | 22.9 | 6% | 0.059 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61 | -42.5 | 175.5 | -179.1 | -86.5 | 0 | 0 | 0 | 112 | F5 A73 F74 V79 R80 Q81 C289 E290 Y293 | F5-Y77 HydrophobicContact CE1-CD2 4.17Å; F5-Y77 HydrophobicContact CE1-CE2 4.04Å; A73-Y77 PolarHBondContact O-N 3.11Å; F74-Y77 PolarHBondContact O-N 2.81Å; F74-Y77 VanDerWaalsContact O-N 3.15Å; Y77-V79 VanDerWaalsContact C-N 3.35Å; Y77-V79 PolarHBondContact O-N 3.08Å; Y77-R80 WeakPolarHBondContact O-CB 3.46Å; Y77-R80 PolarHBondContact O-N 2.9Å; Y77-Q81 HydrophobicContact CD1-CG 3.78Å; Y77-Q81 HydrophobicContact CE1-CG 3.3Å; Y77-Q81 WeakPolarHBondContact O-CG 3.43Å; Y77-Q81 PolarHBondContact O-N 2.86Å; Y77-Q81 PolarHBondContact OH-NE2 2.82Å; Y77-C289 HydrophobicContact CD1-CB 3.62Å; Y77-C289 HydrophobicContact CD2-CB 3.86Å; Y77-C289 HydrophobicContact CE1-CB 4.07Å; Y77-C289 HydrophobicContact CE2-CB 4.29Å; Y77-C289 HydrophobicContact CG-CB 3.5Å; Y77-E290 WeakPolarHBondContact OH-CG 3.19Å; Y77-Y293 HydrophobicContact CE1-CG 4.35Å |
| 78 | F | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59 | -45.8 | 178.2 | -176.3 | -91.9 | 0 | 0 | 0 | 111.4 | M60 F74 C75 Q76 Q81 I82 F101 I103 Y293 A296 I300 | M60-F78 HydrophobicContact CE-CD1 3.99Å; M60-F78 HydrophobicContact CE-CD2 3.82Å; M60-F78 HydrophobicContact CE-CE1 3.84Å; M60-F78 HydrophobicContact CE-CE2 3.72Å; M60-F78 HydrophobicContact CE-CG 3.98Å; M60-F78 HydrophobicContact CE-CZ 3.74Å; M60-F78 HydrophobicContact SD-CB 4.4Å; M60-F78 HydrophobicContact SD-CD1 3.91Å; M60-F78 HydrophobicContact SD-CD2 4.36Å; M60-F78 HydrophobicContact SD-CE1 4.27Å; M60-F78 HydrophobicContact SD-CG 3.97Å; F74-F78 HydrophobicContact CE2-CB 4.31Å; F74-F78 HydrophobicContact CE2-CD2 4.37Å; F74-F78 HydrophobicContact CZ-CB 4.23Å; F74-F78 AromaticContact CZ-CD2 3.86Å; F74-F78 HydrophobicContact CZ-CD2 3.86Å; F74-F78 HydrophobicContact CZ-CG 4.4Å; F74-F78 WeakPolarHBondContact O-CB 3.14Å; F74-F78 PolarHBondContact O-N 3.37Å; C75-F78 PolarHBondContact O-N 2.97Å; Q76-F78 VanDerWaalsContact C-N 3.35Å; Q76-F78 PolarHBondContact O-N 2.83Å; F78-Q81 PolarHBondContact O-N 3.5Å; F78-I82 HydrophobicContact CD1-CD1 3.79Å; F78-I82 HydrophobicContact CE1-CD1 3.18Å; F78-I82 HydrophobicContact CE1-CG1 4.19Å; F78-I82 HydrophobicContact CZ-CD1 3.65Å; F78-I82 HydrophobicContact CZ-CG1 4.43Å; F78-I82 PolarHBondContact O-N 2.88Å; F78-I82 VanDerWaalsContact O-N 3.14Å; F78-F101 HydrophobicContact CE1-CD1 4.12Å; F78-F101 HydrophobicContact CZ-CD1 4.34Å; F78-F101 HydrophobicContact CZ-CE1 4.35Å; F78-I103 HydrophobicContact CD1-CD1 3.99Å; F78-I103 HydrophobicContact CE1-CD1 3.82Å; F78-Y293 AromaticContact CD2-CD2 3.54Å; F78-Y293 HydrophobicContact CD2-CD2 3.54Å; F78-Y293 AromaticContact CD2-CE2 3.94Å; F78-Y293 HydrophobicContact CD2-CE2 3.94Å; F78-Y293 AromaticContact CE2-CD2 3.96Å; F78-Y293 HydrophobicContact CE2-CD2 3.96Å; F78-Y293 HydrophobicContact CE2-CE2 4.02Å; F78-Y293 HydrophobicContact CG-CD2 4.37Å; F78-A296 HydrophobicContact CD2-CB 4.38Å; F78-A296 HydrophobicContact CE2-CB 3.96Å; F78-I300 HydrophobicContact CE2-CD1 4.1Å; F78-I300 HydrophobicContact CZ-CD1 3.56Å |
| 79 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59 | -47.2 | 174 | 167.1 | 0 | 0 | 0 | 0 | 111.3 | W16 M45 I47 C75 Q76 Y77 Q81 I82 L83 I103 | W16-V79 HydrophobicContact CH2-CB 3.88Å; W16-V79 HydrophobicContact CH2-CG1 3.97Å; W16-V79 HydrophobicContact CH2-CG2 4.01Å; W16-V79 HydrophobicContact CZ2-CB 3.83Å; W16-V79 HydrophobicContact CZ2-CG1 3.71Å; W16-V79 HydrophobicContact CZ2-CG2 4.46Å; M45-V79 HydrophobicContact CE-CG1 3.78Å; M45-V79 HydrophobicContact SD-CG1 4.02Å; M45-V79 HydrophobicContact SD-CG2 4.14Å; I47-V79 HydrophobicContact CD1-CB 4.11Å; I47-V79 HydrophobicContact CD1-CG1 3.69Å; I47-V79 HydrophobicContact CD1-CG2 3.62Å; C75-V79 WeakPolarHBondContact O-CG2 3.12Å; C75-V79 PolarHBondContact O-N 2.96Å; C75-V79 VanDerWaalsContact O-N 3.13Å; Q76-V79 PolarHBondContact O-N 3.11Å; Y77-V79 VanDerWaalsContact C-N 3.35Å; Y77-V79 PolarHBondContact O-N 3.08Å; V79-Q81 VanDerWaalsContact C-N 3.32Å; V79-Q81 PolarHBondContact O-N 3.42Å; V79-I82 PolarHBondContact O-N 3.24Å; V79-L83 HydrophobicContact CG1-CD1 3.73Å; V79-L83 HydrophobicContact CG1-CG 4.35Å; V79-L83 WeakPolarHBondContact O-CG 3.38Å; V79-L83 PolarHBondContact O-N 3.45Å; V79-I103 HydrophobicContact CG2-CB 4.15Å; V79-I103 HydrophobicContact CG2-CG1 4.11Å; V79-I103 HydrophobicContact CG2-CG2 4Å |
| 80 | R | 98.3 | Very high | 97.9 | Very high | 58 Ų | 58 | 32.1 Ų | 32.1 | 22% | 0.219 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55.1 | -47.8 | 176.2 | 174.7 | -168.3 | 169.9 | -178.3 | -0.2 | 111.5 | Y4 Q76 Y77 I82 L83 Q84 | Y4-R80 HydrophobicContact CD1-CB 4.16Å; Y4-R80 HydrophobicContact CE1-CB 3.62Å; Y4-R80 HydrophobicContact CE1-CG 4.28Å; Y4-R80 HydrophobicContact CE2-CB 4.35Å; Y4-R80 HydrophobicContact CE2-CG 4.14Å; Q76-R80 PolarHBondContact O-N 3.47Å; Y77-R80 WeakPolarHBondContact O-CB 3.46Å; Y77-R80 PolarHBondContact O-N 2.9Å; R80-I82 PolarHBondContact O-N 2.87Å; R80-L83 PolarHBondContact O-N 3.28Å; R80-Q84 HydrophobicContact CG-CG 4.26Å; R80-Q84 WeakPolarHBondContact O-CB 3.2Å; R80-Q84 VanDerWaalsContact O-CG 3.25Å; R80-Q84 WeakPolarHBondContact O-CG 3.48Å; R80-Q84 PolarHBondContact O-N 3.37Å |
| 81 | Q | 98.3 | Very high | 97.8 | Very high | 32 Ų | 32 | 34.6 Ų | 34.6 | 15% | 0.15 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.6 | -42.6 | -177.7 | -69.2 | -53.4 | -54 | 0 | 0 | 112.3 | Y77 F78 V79 Q84 T85 Y293 | Y77-Q81 HydrophobicContact CD1-CG 3.78Å; Y77-Q81 HydrophobicContact CE1-CG 3.3Å; Y77-Q81 WeakPolarHBondContact O-CG 3.43Å; Y77-Q81 PolarHBondContact O-N 2.86Å; Y77-Q81 PolarHBondContact OH-NE2 2.82Å; F78-Q81 PolarHBondContact O-N 3.5Å; V79-Q81 VanDerWaalsContact C-N 3.32Å; V79-Q81 PolarHBondContact O-N 3.42Å; Q81-Q84 PolarHBondContact O-N 3.35Å; Q81-T85 WeakPolarHBondContact O-CB 3.46Å; Q81-T85 WeakPolarHBondContact O-CG2 3.47Å; Q81-T85 PolarHBondContact O-N 3.26Å; Q81-T85 PolarHBondContact O-OG1 2.99Å; Q81-Y293 HydrophobicContact CB-CD2 3.74Å; Q81-Y293 HydrophobicContact CB-CE1 4.13Å; Q81-Y293 HydrophobicContact CB-CE2 3.26Å; Q81-Y293 HydrophobicContact CB-CG 4.37Å; Q81-Y293 VanDerWaalsContact CB-CZ 3.48Å; Q81-Y293 HydrophobicContact CG-CD1 4.34Å; Q81-Y293 HydrophobicContact CG-CD2 3.88Å; Q81-Y293 HydrophobicContact CG-CE1 4.34Å; Q81-Y293 HydrophobicContact CG-CE2 3.92Å; Q81-Y293 HydrophobicContact CG-CG 4.12Å |
| 82 | I | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.7 | -49.5 | 175.7 | -68.8 | 178.9 | 0 | 0 | 0 | 110.6 | I47 F78 V79 R80 Q84 T85 Y86 M92 M96 F101 | I47-I82 HydrophobicContact CG2-CG2 4.05Å; F78-I82 HydrophobicContact CD1-CD1 3.79Å; F78-I82 HydrophobicContact CE1-CD1 3.18Å; F78-I82 HydrophobicContact CE1-CG1 4.19Å; F78-I82 HydrophobicContact CZ-CD1 3.65Å; F78-I82 HydrophobicContact CZ-CG1 4.43Å; F78-I82 PolarHBondContact O-N 2.88Å; F78-I82 VanDerWaalsContact O-N 3.14Å; V79-I82 PolarHBondContact O-N 3.24Å; R80-I82 PolarHBondContact O-N 2.87Å; I82-Q84 VanDerWaalsContact C-N 3.26Å; I82-Q84 PolarHBondContact O-N 3.49Å; I82-T85 PolarHBondContact O-N 3.29Å; I82-T85 PolarHBondContact O-OG1 3.46Å; I82-Y86 WeakPolarHBondContact O-CB 3.18Å; I82-Y86 PolarHBondContact O-N 2.82Å; I82-M92 HydrophobicContact CB-SD 4.43Å; I82-M92 HydrophobicContact CG1-CE 4.01Å; I82-M92 HydrophobicContact CG1-SD 4.05Å; I82-M92 HydrophobicContact CG2-SD 4.05Å; I82-M96 HydrophobicContact CG2-CE 4.42Å; I82-M96 HydrophobicContact CG2-CG 4.29Å; I82-M96 HydrophobicContact CG2-SD 3.38Å; I82-M96 WeakPolarHBondContact CG2-SD 3.25Å; I82-F101 HydrophobicContact CD1-CD1 3.66Å; I82-F101 HydrophobicContact CD1-CD2 4.37Å; I82-F101 HydrophobicContact CD1-CE1 3.74Å; I82-F101 HydrophobicContact CD1-CE2 4.49Å; I82-F101 HydrophobicContact CD1-CG 3.98Å; I82-F101 HydrophobicContact CD1-CZ 4.19Å |
| 83 | L | 98 | Very high | 97.7 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68 | -24.5 | -177.2 | -64.9 | 176.3 | 0 | 0 | 0 | 113.4 | M20 Y24 V27 V28 I47 V79 R80 Y86 | M20-L83 HydrophobicContact CB-CD1 4.43Å; M20-L83 HydrophobicContact SD-CD1 4.03Å; Y24-L83 HydrophobicContact CD1-CB 4.3Å; Y24-L83 HydrophobicContact CD1-CD2 4.14Å; Y24-L83 HydrophobicContact CD2-CD1 3.79Å; Y24-L83 HydrophobicContact CE1-CB 4.04Å; Y24-L83 HydrophobicContact CE2-CB 4.37Å; Y24-L83 HydrophobicContact CE2-CD1 4.06Å; Y24-L83 HydrophobicContact CG-CD1 4.12Å; Y24-L83 HydrophobicContact CG-CD2 4.05Å; Y24-L83 HydrophobicContact CG-CG 4.48Å; V27-L83 HydrophobicContact CG2-CD2 3.78Å; V28-L83 HydrophobicContact CG2-CD1 3.97Å; V28-L83 HydrophobicContact CG2-CD2 3.64Å; V28-L83 HydrophobicContact CG2-CG 4.43Å; I47-L83 HydrophobicContact CG2-CD2 3.94Å; V79-L83 HydrophobicContact CG1-CD1 3.73Å; V79-L83 HydrophobicContact CG1-CG 4.35Å; V79-L83 WeakPolarHBondContact O-CG 3.38Å; V79-L83 PolarHBondContact O-N 3.45Å; R80-L83 PolarHBondContact O-N 3.28Å; L83-Y86 WeakPolarHBondContact O-CD1 3.34Å; L83-Y86 VanDerWaalsContact O-CE1 3.25Å; L83-Y86 WeakPolarHBondContact O-CE1 3.21Å |
| 84 | Q | 96.6 | Very high | 97.6 | Very high | 99 Ų | 99 | 40.5 Ų | 40.5 | 46% | 0.463 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -81.4 | -21.4 | 175.6 | -73.1 | -176.2 | -25.3 | 0 | 0 | 113.5 | R80 Q81 I82 | R80-Q84 HydrophobicContact CG-CG 4.26Å; R80-Q84 WeakPolarHBondContact O-CB 3.2Å; R80-Q84 VanDerWaalsContact O-CG 3.25Å; R80-Q84 WeakPolarHBondContact O-CG 3.48Å; R80-Q84 PolarHBondContact O-N 3.37Å; Q81-Q84 PolarHBondContact O-N 3.35Å; I82-Q84 VanDerWaalsContact C-N 3.26Å; I82-Q84 PolarHBondContact O-N 3.49Å |
| 85 | T | 96 | Very high | 97.6 | Very high | 30 Ų | 30 | 40.6 Ų | 40.6 | 18% | 0.184 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -113.3 | -18.4 | -170.3 | 55.9 | 0 | 0 | 0 | 0 | 114.4 | Q81 I82 K87 T88 D89 | Q81-T85 WeakPolarHBondContact O-CB 3.46Å; Q81-T85 WeakPolarHBondContact O-CG2 3.47Å; Q81-T85 PolarHBondContact O-N 3.26Å; Q81-T85 PolarHBondContact O-OG1 2.99Å; I82-T85 PolarHBondContact O-N 3.29Å; I82-T85 PolarHBondContact O-OG1 3.46Å; T85-K87 PolarHBondContact O-N 2.86Å; T85-T88 PolarHBondContact O-N 3.47Å; T85-T88 PolarHBondContact O-OG1 3.22Å; T85-D89 PolarHBondContact O-N 2.62Å |
| 86 | Y | 95.7 | Very high | 97.5 | Very high | 16 Ų | 16 | 40.6 Ų | 40.6 | 6% | 0.063 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -15.6 | -171.9 | 81.4 | -77.2 | 0 | 0 | 0 | 117 | Y24 V27 L49 I82 L83 E93 M96 | Y24-Y86 HydrophobicContact CD1-CE1 4.26Å; Y24-Y86 HydrophobicContact CE1-CE1 4.41Å; V27-Y86 HydrophobicContact CG1-CD2 4.39Å; V27-Y86 HydrophobicContact CG1-CE2 3.82Å; V27-Y86 HydrophobicContact CG2-CE2 4.35Å; L49-Y86 HydrophobicContact CD2-CD2 4.14Å; L49-Y86 HydrophobicContact CD2-CE2 4.17Å; I82-Y86 WeakPolarHBondContact O-CB 3.18Å; I82-Y86 PolarHBondContact O-N 2.82Å; L83-Y86 WeakPolarHBondContact O-CD1 3.34Å; L83-Y86 VanDerWaalsContact O-CE1 3.25Å; L83-Y86 WeakPolarHBondContact O-CE1 3.21Å; Y86-E93 WeakPolarHBondContact O-CB 3.24Å; Y86-M96 WeakPolarHBondContact CB-SD 3.25Å; Y86-M96 HydrophobicContact CD2-CE 4.2Å; Y86-M96 HydrophobicContact CD2-SD 4.34Å; Y86-M96 HydrophobicContact CG-CE 4.22Å; Y86-M96 HydrophobicContact CG-SD 3.93Å |
| 87 | K | 94.9 | Very high | 97.5 | Very high | 151 Ų | 151 | 42.9 Ų | 42.9 | 66% | 0.657 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -10.4 | 175.9 | -72.3 | 179.3 | 169.9 | 162.7 | 0 | 113.7 | T85 | T85-K87 PolarHBondContact O-N 2.86Š|
| 88 | T | 96.6 | Very high | 97.4 | Very high | 119 Ų | 119 | 44.4 Ų | 44.4 | 73% | 0.73 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121 | -26.2 | -171 | 51.8 | 0 | 0 | 0 | 0 | 112.5 | T85 | T85-T88 PolarHBondContact O-N 3.47Å; T85-T88 PolarHBondContact O-OG1 3.22Å |
| 89 | D | 97.3 | Very high | 97.4 | Very high | 66 Ų | 66 | 44.4 Ų | 44.4 | 35% | 0.353 | 24% | 0.237 | S | C | . | . | trans | -101.5 | 109.6 | 172 | -177.3 | -20.7 | 0 | 0 | 0 | 109.7 | T85 K91 M92 E93 | T85-D89 PolarHBondContact O-N 2.62Å; D89-K91 PolarHBondContact O-N 3.28Å; D89-K91 WeakPolarHBondContact OD1-CA 3.33Å; D89-K91 VanDerWaalsContact OD1-CB 3.29Å; D89-K91 WeakPolarHBondContact OD1-CB 3.44Å; D89-K91 PolarHBondContact OD1-N 3.31Å; D89-M92 HydrophobicContact CB-CB 3.95Å; D89-M92 PolarHBondContact O-N 2.9Å; D89-M92 VanDerWaalsContact O-N 3.11Å; D89-M92 PolarHBondContact OD1-N 3.14Å; D89-E93 PolarHBondContact O-N 3.1Å | ||
| 90 | A | 97.3 | Very high | 97.4 | Very high | 73 Ų | 73 | 44.8 Ų | 44.8 | 60% | 0.603 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -59.4 | -29.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A94 | A90-A94 WeakPolarHBondContact O-CB 3.5Å; A90-A94 PolarHBondContact O-N 3.32Å |
| 91 | K | 97.1 | Very high | 97.4 | Very high | 54 Ų | 54 | 42 Ų | 42 | 24% | 0.235 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -73.5 | -41.4 | 176.7 | 176 | 56.3 | 177.9 | 172.4 | 0 | 110.7 | D89 A94 M95 H304 D305 | D89-K91 PolarHBondContact O-N 3.28Å; D89-K91 WeakPolarHBondContact OD1-CA 3.33Å; D89-K91 VanDerWaalsContact OD1-CB 3.29Å; D89-K91 WeakPolarHBondContact OD1-CB 3.44Å; D89-K91 PolarHBondContact OD1-N 3.31Å; K91-A94 PolarHBondContact O-N 2.65Å; K91-M95 HydrophobicContact CD-CG 4.45Å; K91-M95 HydrophobicContact CG-CE 4.25Å; K91-M95 WeakPolarHBondContact O-CG 3.47Å; K91-M95 PolarHBondContact O-N 2.98Å; K91-H304 PolarHBondContact NZ-ND1 3.19Å; K91-D305 IonicContact NZ-OD1 3.29Å; K91-D305 PolarHBondContact NZ-OD1 2.86Å; K91-D305 IonicContact NZ-OD2 3.96Å; K91-D305 PolarHBondContact NZ-OD2 2.97Å; K91-D305 VanDerWaalsContact NZ-OD2 3.17Å |
| 92 | M | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64 | -43.5 | 173.2 | -174.4 | 58.4 | 67.3 | 0 | 0 | 111.6 | I82 D89 A94 M95 M96 F101 Y293 L297 | I82-M92 HydrophobicContact CB-SD 4.43Å; I82-M92 HydrophobicContact CG1-CE 4.01Å; I82-M92 HydrophobicContact CG1-SD 4.05Å; I82-M92 HydrophobicContact CG2-SD 4.05Å; D89-M92 HydrophobicContact CB-CB 3.95Å; D89-M92 PolarHBondContact O-N 2.9Å; D89-M92 VanDerWaalsContact O-N 3.11Å; D89-M92 PolarHBondContact OD1-N 3.14Å; M92-A94 PolarHBondContact O-N 3.46Å; M92-M95 HydrophobicContact CE-CE 3.86Å; M92-M95 PolarHBondContact O-N 2.71Å; M92-M95 HydrophobicContact SD-CE 3.9Å; M92-M96 HydrophobicContact CG-SD 4.44Å; M92-M96 PolarHBondContact O-N 3.34Å; M92-M96 HydrophobicContact SD-CG 4.37Å; M92-F101 HydrophobicContact SD-CZ 4.3Å; M92-Y293 WeakPolarHBondContact CE-OH 3.48Å; M92-L297 HydrophobicContact CE-CD1 3.67Å |
| 93 | E | 97.3 | Very high | 97.5 | Very high | 94 Ų | 94 | 41.6 Ų | 41.6 | 44% | 0.439 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -57.1 | -47.7 | 175.1 | -171.2 | -179 | -177.7 | 0 | 0 | 111.5 | L49 Y86 D89 M95 M96 T97 | L49-E93 HydrophobicContact CD1-CG 4.01Å; Y86-E93 WeakPolarHBondContact O-CB 3.24Å; D89-E93 PolarHBondContact O-N 3.1Å; E93-M95 PolarHBondContact O-N 3.06Å; E93-M96 PolarHBondContact O-N 3.22Å; E93-T97 WeakPolarHBondContact O-CB 3.38Å; E93-T97 PolarHBondContact O-N 2.95Å; E93-T97 PolarHBondContact O-OG1 3.32Å |
| 94 | A | 97.3 | Very high | 97.5 | Very high | 34 Ų | 34 | 41.3 Ų | 41.3 | 28% | 0.281 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.6 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | A90 K91 M92 M96 T97 N98 | A90-A94 WeakPolarHBondContact O-CB 3.5Å; A90-A94 PolarHBondContact O-N 3.32Å; K91-A94 PolarHBondContact O-N 2.65Å; M92-A94 PolarHBondContact O-N 3.46Å; A94-M96 PolarHBondContact O-N 3.4Å; A94-T97 WeakPolarHBondContact O-CB 3.34Å; A94-T97 PolarHBondContact O-N 3.31Å; A94-N98 WeakPolarHBondContact O-CB 3.49Å; A94-N98 PolarHBondContact O-N 3.4Å; A94-N98 PolarHBondContact O-ND2 3.31Å |
| 95 | M | 98 | Very high | 97.6 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.6 | -44 | 176 | -73.4 | -171.8 | -61.3 | 0 | 0 | 112.1 | K91 M92 E93 T97 N98 M99 F101 L297 I300 H304 | K91-M95 HydrophobicContact CD-CG 4.45Å; K91-M95 HydrophobicContact CG-CE 4.25Å; K91-M95 WeakPolarHBondContact O-CG 3.47Å; K91-M95 PolarHBondContact O-N 2.98Å; M92-M95 HydrophobicContact CE-CE 3.86Å; M92-M95 PolarHBondContact O-N 2.71Å; M92-M95 HydrophobicContact SD-CE 3.9Å; E93-M95 PolarHBondContact O-N 3.06Å; M95-T97 VanDerWaalsContact C-N 3.29Å; M95-T97 PolarHBondContact O-N 3.02Å; M95-N98 PolarHBondContact O-N 3.13Å; M95-M99 HydrophobicContact CB-CE 3.87Å; M95-M99 HydrophobicContact CG-CE 3.92Å; M95-M99 WeakPolarHBondContact O-CA 3.38Å; M95-M99 WeakPolarHBondContact O-CB 3.47Å; M95-M99 PolarHBondContact O-N 3.04Å; M95-M99 HydrophobicContact SD-CE 4.31Å; M95-F101 HydrophobicContact CB-CZ 4.26Å; M95-L297 HydrophobicContact CE-CD1 3.79Å; M95-I300 HydrophobicContact SD-CG2 3.94Å; M95-H304 HydrophobicContact CG-CB 3.96Å; M95-H304 HydrophobicContact SD-CB 4.29Å |
| 96 | M | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.1 | -21.4 | 177.5 | -76.8 | -172.9 | 62 | 0 | 0 | 113.6 | V27 I47 L49 K55 I82 Y86 M92 E93 A94 F101 | V27-M96 HydrophobicContact CB-CE 3.82Å; V27-M96 HydrophobicContact CG1-CE 4.07Å; V27-M96 HydrophobicContact CG2-CE 4.27Å; I47-M96 HydrophobicContact CG2-CE 3.79Å; L49-M96 HydrophobicContact CD1-CB 4.13Å; L49-M96 HydrophobicContact CG-CB 4.04Å; L49-M96 PolarHBondContact N-O 3.38Å; K55-M96 WeakPolarHBondContact CE-O 3.39Å; K55-M96 PolarHBondContact NZ-O 2.95Å; I82-M96 HydrophobicContact CG2-CE 4.42Å; I82-M96 HydrophobicContact CG2-CG 4.29Å; I82-M96 HydrophobicContact CG2-SD 3.38Å; I82-M96 WeakPolarHBondContact CG2-SD 3.25Å; Y86-M96 WeakPolarHBondContact CB-SD 3.25Å; Y86-M96 HydrophobicContact CD2-CE 4.2Å; Y86-M96 HydrophobicContact CD2-SD 4.34Å; Y86-M96 HydrophobicContact CG-CE 4.22Å; Y86-M96 HydrophobicContact CG-SD 3.93Å; M92-M96 HydrophobicContact CG-SD 4.44Å; M92-M96 PolarHBondContact O-N 3.34Å; M92-M96 HydrophobicContact SD-CG 4.37Å; E93-M96 PolarHBondContact O-N 3.22Å; A94-M96 PolarHBondContact O-N 3.4Å; M96-F101 HydrophobicContact CG-CD2 4.24Å; M96-F101 HydrophobicContact CG-CE2 3.71Å |
| 97 | T | 97.6 | Very high | 97.9 | Very high | 51 Ų | 51 | 34.7 Ų | 34.7 | 31% | 0.313 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -73.7 | -42.3 | 171 | -60.1 | 0 | 0 | 0 | 0 | 110.6 | L49 T51 K55 E93 A94 M95 | L49-T97 WeakPolarHBondContact CD1-OG1 3.49Å; T51-T97 HydrophobicContact CG2-CG2 3.92Å; K55-T97 VanDerWaalsContact CE-O 3.24Å; K55-T97 WeakPolarHBondContact CE-O 3.17Å; E93-T97 WeakPolarHBondContact O-CB 3.38Å; E93-T97 PolarHBondContact O-N 2.95Å; E93-T97 PolarHBondContact O-OG1 3.32Å; A94-T97 WeakPolarHBondContact O-CB 3.34Å; A94-T97 PolarHBondContact O-N 3.31Å; M95-T97 VanDerWaalsContact C-N 3.29Å; M95-T97 PolarHBondContact O-N 3.02Å |
| 98 | N | 98 | Very high | 98.1 | Very high | 47 Ų | 47 | 27.5 Ų | 27.5 | 25% | 0.251 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -88.6 | -24.3 | -173.1 | -70 | -21.1 | 0 | 0 | 0 | 113.7 | K55 K56 A94 M95 H304 F308 | K55-N98 WeakPolarHBondContact CA-O 3.44Å; K56-N98 PolarHBondContact N-O 3.18Å; A94-N98 WeakPolarHBondContact O-CB 3.49Å; A94-N98 PolarHBondContact O-N 3.4Å; A94-N98 PolarHBondContact O-ND2 3.31Å; M95-N98 PolarHBondContact O-N 3.13Å; N98-H304 PolarHBondContact ND2-NE2 3.45Å; N98-F308 HydrophobicContact CB-CD1 4.03Å; N98-F308 HydrophobicContact CB-CD2 3.95Å; N98-F308 HydrophobicContact CB-CE1 3.8Å; N98-F308 HydrophobicContact CB-CE2 3.75Å; N98-F308 HydrophobicContact CB-CG 4.11Å; N98-F308 HydrophobicContact CB-CZ 3.67Å |
| 99 | M | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 150.8 | -170.8 | -48.6 | -174.9 | -61.2 | 0 | 0 | 112.8 | K55 K56 I58 M95 L189 I300 H304 F308 | K55-M99 WeakPolarHBondContact CE-O 3.43Å; K55-M99 PolarHBondContact NZ-O 3.31Å; K56-M99 HydrophobicContact CB-CG 4.12Å; K56-M99 CarbonylContact O-C 3.58Å; K56-M99 WeakPolarHBondContact O-CA 3.33Å; I58-M99 HydrophobicContact CD1-CE 4.29Å; I58-M99 HydrophobicContact CD1-SD 4.05Å; I58-M99 HydrophobicContact CG1-CE 4.13Å; I58-M99 HydrophobicContact CG1-SD 4.22Å; M95-M99 HydrophobicContact CB-CE 3.87Å; M95-M99 HydrophobicContact CG-CE 3.92Å; M95-M99 WeakPolarHBondContact O-CA 3.38Å; M95-M99 WeakPolarHBondContact O-CB 3.47Å; M95-M99 PolarHBondContact O-N 3.04Å; M95-M99 HydrophobicContact SD-CE 4.31Å; M99-L189 HydrophobicContact SD-CD1 3.79Å; M99-I300 HydrophobicContact CE-CG2 3.93Å; M99-H304 HydrophobicContact CE-CB 3.77Å; M99-H304 HydrophobicContact SD-CB 4.15Å; M99-F308 HydrophobicContact CG-CE2 3.78Å; M99-F308 HydrophobicContact CG-CZ 4.29Å; M99-F308 HydrophobicContact SD-CE2 4.1Å |
| 100 | D | 98.6 | Very high | 98.3 | Very high | 9 Ų | 9 | 18.9 Ų | 18.9 | 5% | 0.048 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 135.7 | 165.7 | -73.7 | -33.8 | 0 | 0 | 0 | 110.4 | R46 K55 K56 A57 I58 Y102 | R46-D100 HydrophobicContact CG-CB 4.26Å; R46-D100 IonicContact CZ-OD2 3.59Å; R46-D100 IonicContact NE-OD1 3.72Å; R46-D100 IonicContact NE-OD2 3.66Å; R46-D100 PolarHBondContact NE-OD2 3.12Å; R46-D100 IonicContact NH2-OD1 2.75Å; R46-D100 IonicContact NH2-OD2 2.68Å; R46-D100 PolarHBondContact NH2-OD2 3.31Å; K55-D100 WeakPolarHBondContact CE-OD1 3.38Å; K55-D100 IonicContact NZ-OD1 2.58Å; K55-D100 PolarHBondContact NZ-OD1 2.92Å; K56-D100 PolarHBondContact O-N 3.1Å; A57-D100 CarbonylContact C-O 3.55Å; A57-D100 VanDerWaalsContact CA-O 3.29Å; A57-D100 WeakPolarHBondContact CA-O 3.33Å; I58-D100 PolarHBondContact N-O 3.04Å; D100-Y102 HydrophobicContact CB-CD2 4.27Å; D100-Y102 HydrophobicContact CB-CE2 3.66Å |
| 101 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 118.6 | 171.9 | -61.2 | -103.1 | 0 | 0 | 0 | 108.6 | M45 R46 I47 I58 F78 I82 M92 M95 M96 I103 I300 | M45-F101 VanDerWaalsContact O-O 3.06Å; R46-F101 CarbonylContact C-O 3.55Å; R46-F101 WeakPolarHBondContact CA-O 3.39Å; I47-F101 HydrophobicContact CB-CB 4.25Å; I47-F101 PolarHBondContact N-O 3.15Å; I47-F101 WeakPolarHBondContact O-CD2 3.35Å; I47-F101 PolarHBondContact O-N 2.88Å; I58-F101 HydrophobicContact CB-CD1 4.16Å; I58-F101 HydrophobicContact CG1-CD1 4.37Å; I58-F101 HydrophobicContact CG1-CE1 4.43Å; I58-F101 HydrophobicContact CG2-CD1 4.34Å; F78-F101 HydrophobicContact CE1-CD1 4.12Å; F78-F101 HydrophobicContact CZ-CD1 4.34Å; F78-F101 HydrophobicContact CZ-CE1 4.35Å; I82-F101 HydrophobicContact CD1-CD1 3.66Å; I82-F101 HydrophobicContact CD1-CD2 4.37Å; I82-F101 HydrophobicContact CD1-CE1 3.74Å; I82-F101 HydrophobicContact CD1-CE2 4.49Å; I82-F101 HydrophobicContact CD1-CG 3.98Å; I82-F101 HydrophobicContact CD1-CZ 4.19Å; M92-F101 HydrophobicContact SD-CZ 4.3Å; M95-F101 HydrophobicContact CB-CZ 4.26Å; M96-F101 HydrophobicContact CG-CD2 4.24Å; M96-F101 HydrophobicContact CG-CE2 3.71Å; F101-I103 HydrophobicContact CB-CD1 4.1Å; F101-I103 HydrophobicContact CB-CG1 4.3Å; F101-I300 HydrophobicContact CE1-CD1 4.15Å; F101-I300 HydrophobicContact CE1-CG2 3.84Å; F101-I300 HydrophobicContact CZ-CG2 4.22Å |
| 102 | Y | 98.9 | Very high | 98.5 | Very high | 22 Ų | 22 | 13 Ų | 13 | 9% | 0.086 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 103.5 | 174.6 | -68.5 | -88.8 | 0 | 0 | 0 | 108.3 | L44 R46 A57 I58 M60 D100 F180 F188 | L44-Y102 HydrophobicContact CD1-CD1 3.65Å; L44-Y102 HydrophobicContact CD1-CE1 4.44Å; L44-Y102 HydrophobicContact CD2-CD1 4.17Å; R46-Y102 HydrophobicContact CB-CD1 4.25Å; R46-Y102 HydrophobicContact CB-CE1 4.03Å; R46-Y102 HydrophobicContact CG-CD1 4.38Å; R46-Y102 HydrophobicContact CG-CE1 3.83Å; A57-Y102 HydrophobicContact CB-CD2 3.87Å; A57-Y102 HydrophobicContact CB-CE2 3.68Å; I58-Y102 PolarHBondContact O-N 3.05Å; M60-Y102 PolarHBondContact N-O 3.23Å; D100-Y102 HydrophobicContact CB-CD2 4.27Å; D100-Y102 HydrophobicContact CB-CE2 3.66Å; Y102-F180 AromaticContact CD1-CE1 3.71Å; Y102-F180 HydrophobicContact CD1-CE1 3.71Å; Y102-F180 AromaticContact CD1-CZ 3.68Å; Y102-F180 HydrophobicContact CD1-CZ 3.68Å; Y102-F180 HydrophobicContact CE1-CE1 4.04Å; Y102-F180 AromaticContact CE1-CZ 3.7Å; Y102-F180 HydrophobicContact CE1-CZ 3.7Å; Y102-F180 HydrophobicContact CG-CE1 4.27Å; Y102-F188 AromaticContact CD2-CE1 3.83Å; Y102-F188 HydrophobicContact CD2-CE1 3.83Å; Y102-F188 HydrophobicContact CD2-CZ 4.15Å; Y102-F188 HydrophobicContact CE2-CE1 4.47Å; Y102-F188 HydrophobicContact CG-CE1 4.36Å |
| 103 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 115.5 | -174.1 | -45.5 | -60.6 | 0 | 0 | 0 | 109.7 | L44 M45 I47 M60 C75 F78 V79 F101 P105 | L44-I103 CarbonylContact C-O 3.53Å; L44-I103 VanDerWaalsContact CA-O 3.31Å; L44-I103 WeakPolarHBondContact CA-O 3.46Å; L44-I103 WeakPolarHBondContact CB-O 3.36Å; M45-I103 PolarHBondContact N-O 2.88Å; M45-I103 PolarHBondContact O-N 3.45Å; I47-I103 HydrophobicContact CD1-CG1 4.39Å; M60-I103 HydrophobicContact CB-CD1 3.55Å; M60-I103 HydrophobicContact CG-CD1 4.4Å; M60-I103 CarbonylContact O-C 3.55Å; M60-I103 WeakPolarHBondContact O-CA 3.27Å; M60-I103 HydrophobicContact SD-CD1 4.22Å; C75-I103 HydrophobicContact CB-CG2 4.04Å; F78-I103 HydrophobicContact CD1-CD1 3.99Å; F78-I103 HydrophobicContact CE1-CD1 3.82Å; V79-I103 HydrophobicContact CG2-CB 4.15Å; V79-I103 HydrophobicContact CG2-CG1 4.11Å; V79-I103 HydrophobicContact CG2-CG2 4Å; F101-I103 HydrophobicContact CB-CD1 4.1Å; F101-I103 HydrophobicContact CB-CG1 4.3Å; I103-P105 WeakPolarHBondContact O-CD 3.34Å |
| 104 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 104.2 | 170.6 | -60.9 | 0 | 0 | 0 | 0 | 109.1 | Y33 I42 L44 M60 C62 V106 L107 | Y33-T104 HydrophobicContact CE1-CG2 4.26Å; Y33-T104 VanDerWaalsContact OH-CG2 3.26Å; Y33-T104 WeakPolarHBondContact OH-CG2 3.47Å; Y33-T104 PolarHBondContact OH-OG1 2.94Å; Y33-T104 VanDerWaalsContact OH-OG1 3.05Å; I42-T104 HydrophobicContact CG2-CG2 4.42Å; L44-T104 WeakPolarHBondContact CB-OG1 3.43Å; M60-T104 PolarHBondContact O-N 3.25Å; C62-T104 PolarHBondContact N-O 2.86Å; T104-V106 VanDerWaalsContact C-N 3.35Å; T104-V106 PolarHBondContact O-N 2.62Å; T104-L107 HydrophobicContact CG2-CB 4.22Å |
| 105 | P | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.006 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -66.4 | -34.2 | -177.5 | -20.7 | 32.9 | 0 | 0 | 0 | 113.8 | I13 W16 M17 C62 P72 C75 I103 | I13-P105 HydrophobicContact CG2-CB 4.09Å; W16-P105 HydrophobicContact CH2-CG 4.5Å; W16-P105 HydrophobicContact CZ3-CB 4.47Å; W16-P105 HydrophobicContact CZ3-CG 3.84Å; M17-P105 HydrophobicContact CG-CG 4.43Å; M17-P105 HydrophobicContact SD-CG 3.99Å; C62-P105 CarbonylContact C-O 3.6Å; C62-P105 VanDerWaalsContact CB-O 3.23Å; C62-P105 WeakPolarHBondContact CB-O 3.31Å; P72-P105 WeakPolarHBondContact CA-O 3.38Å; P72-P105 WeakPolarHBondContact CB-O 3.46Å; C75-P105 HydrophobicContact CB-CB 4.25Å; I103-P105 WeakPolarHBondContact O-CD 3.34Å |
| 106 | V | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 14.9 Ų | 14.9 | 2% | 0.018 | 7% | 0.072 | C | C | . | . | trans | -141.1 | 104.7 | 179 | -176.9 | 0 | 0 | 0 | 0 | 109 | M10 I13 C62 P72 T104 Y112 | M10-V106 HydrophobicContact CE-CB 4.28Å; M10-V106 HydrophobicContact SD-CB 3.85Å; M10-V106 HydrophobicContact SD-CG1 3.96Å; M10-V106 HydrophobicContact SD-CG2 3.91Å; I13-V106 HydrophobicContact CD1-CG2 3.81Å; C62-V106 WeakPolarHBondContact O-CA 3.42Å; P72-V106 HydrophobicContact CB-CG2 3.95Å; P72-V106 HydrophobicContact CG-CG2 4.05Å; T104-V106 VanDerWaalsContact C-N 3.35Å; T104-V106 PolarHBondContact O-N 2.62Å; V106-Y112 HydrophobicContact CG1-CD1 4.08Å; V106-Y112 HydrophobicContact CG1-CD2 4.47Å; V106-Y112 HydrophobicContact CG1-CG 3.8Å; V106-Y112 HydrophobicContact CG2-CD1 4.15Å; V106-Y112 HydrophobicContact CG2-CE1 4.3Å; V106-Y112 HydrophobicContact CG2-CG 4.4Å | ||
| 107 | L | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -75.9 | -47 | 175 | 176 | 58.8 | 0 | 0 | 0 | 111.7 | Y33 I42 C62 I64 T104 V109 E173 V177 | Y33-L107 WeakPolarHBondContact OH-CD1 3.36Å; I42-L107 HydrophobicContact CG2-CD1 4.13Å; C62-L107 PolarHBondContact O-N 3Å; I64-L107 HydrophobicContact CB-CB 4.46Å; I64-L107 HydrophobicContact CB-CD2 4.02Å; I64-L107 HydrophobicContact CD1-CD2 3.88Å; I64-L107 HydrophobicContact CG1-CD2 3.84Å; T104-L107 HydrophobicContact CG2-CB 4.22Å; L107-V109 VanDerWaalsContact C-N 3.32Å; L107-V109 PolarHBondContact O-N 3.5Å; L107-V109 VanDerWaalsContact O-N 3.1Å; L107-E173 HydrophobicContact CD1-CB 4.33Å; L107-V177 HydrophobicContact CD1-CG2 3.6Å; L107-V177 HydrophobicContact CD2-CG2 3.7Å; L107-V177 HydrophobicContact CG-CG2 4.34Å |
| 108 | N | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | -87.6 | 70.4 | 179.5 | -174.7 | -1 | 0 | 0 | 0 | 110.8 | G63 I64 D110 G111 Y112 R125 K126 N127 L141 | G63-N108 WeakPolarHBondContact O-CB 3.31Å; G63-N108 PolarHBondContact O-N 3.28Å; I64-N108 VanDerWaalsContact O-CB 3.25Å; I64-N108 WeakPolarHBondContact O-CB 3.35Å; I64-N108 PolarHBondContact O-ND2 3.45Å; N108-D110 VanDerWaalsContact C-N 3.32Å; N108-D110 PolarHBondContact O-N 2.87Å; N108-G111 PolarHBondContact O-N 3.07Å; N108-G111 WeakPolarHBondContact OD1-CA 3.28Å; N108-G111 PolarHBondContact OD1-N 3.03Å; N108-Y112 VanDerWaalsContact O-CB 3.28Å; N108-Y112 WeakPolarHBondContact O-CB 3.07Å; N108-Y112 PolarHBondContact O-N 2.86Å; N108-R125 PolarHBondContact ND2-O 2.97Å; N108-K126 PolarHBondContact ND2-O 3.07Å; N108-N127 PolarHBondContact ND2-N 2.8Å; N108-N127 WeakPolarHBondContact OD1-CA 3.42Å; N108-L141 HydrophobicContact CB-CD1 3.72Å | ||
| 109 | V | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.024 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.1 | -45 | -174.7 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | M10 R40 I42 L107 Y112 I113 | M10-V109 HydrophobicContact CE-CG1 4.42Å; M10-V109 HydrophobicContact CG-CG1 4.06Å; M10-V109 HydrophobicContact SD-CG1 4.12Å; R40-V109 HydrophobicContact CB-CG1 3.94Å; I42-V109 HydrophobicContact CG1-CG2 4.29Å; L107-V109 VanDerWaalsContact C-N 3.32Å; L107-V109 PolarHBondContact O-N 3.5Å; L107-V109 VanDerWaalsContact O-N 3.1Å; V109-Y112 PolarHBondContact O-N 3Å; V109-I113 HydrophobicContact CG1-CD1 4.01Å; V109-I113 WeakPolarHBondContact O-CG1 3.47Å; V109-I113 PolarHBondContact O-N 3.02Å |
| 110 | D | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.1 | -46.2 | -177.1 | -60.3 | -16 | 0 | 0 | 0 | 112 | S36 Y37 E38 R40 N108 Y112 I113 F114 R128 | S36-D110 VanDerWaalsContact CB-OD1 3.25Å; S36-D110 WeakPolarHBondContact CB-OD1 3.35Å; S36-D110 WeakPolarHBondContact CB-OD2 3.29Å; S36-D110 PolarHBondContact OG-OD1 3.19Å; S36-D110 PolarHBondContact OG-OD2 2.95Å; S36-D110 VanDerWaalsContact OG-OD2 3.04Å; Y37-D110 PolarHBondContact N-OD2 2.66Å; E38-D110 WeakPolarHBondContact CB-OD2 3.35Å; E38-D110 HydrophobicContact CG-CB 4.35Å; E38-D110 WeakPolarHBondContact CG-OD2 3.43Å; E38-D110 PolarHBondContact N-OD2 3.06Å; R40-D110 IonicContact CZ-OD1 3.81Å; R40-D110 IonicContact NH1-OD1 3.89Å; R40-D110 PolarHBondContact NH1-OD1 2.8Å; N108-D110 VanDerWaalsContact C-N 3.32Å; N108-D110 PolarHBondContact O-N 2.87Å; D110-Y112 VanDerWaalsContact C-N 3.32Å; D110-Y112 PolarHBondContact O-N 2.94Å; D110-I113 PolarHBondContact O-N 2.83Å; D110-F114 WeakPolarHBondContact O-CB 3.45Å; D110-F114 PolarHBondContact O-N 2.96Å; D110-R128 HydrophobicContact CB-CB 3.75Å; D110-R128 HydrophobicContact CB-CG 3.66Å |
| 111 | G | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.5 | -42.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A66 N108 F114 S115 | A66-G111 WeakPolarHBondContact CB-O 3.3Å; N108-G111 PolarHBondContact O-N 3.07Å; N108-G111 WeakPolarHBondContact OD1-CA 3.28Å; N108-G111 PolarHBondContact OD1-N 3.03Å; G111-F114 WeakPolarHBondContact O-CB 3.41Å; G111-F114 PolarHBondContact O-N 3.2Å; G111-S115 PolarHBondContact O-N 2.89Å |
| 112 | Y | 98.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.3 | -52.5 | 178.5 | -171 | -109.1 | 0 | 0 | 0 | 110.4 | H8 M10 I13 W69 P72 V106 N108 V109 D110 F114 S115 W116 | H8-Y112 WeakPolarHBondContact O-CE1 3.46Å; H8-Y112 PolarHBondContact O-OH 3.02Å; M10-Y112 HydrophobicContact CB-CD1 4.16Å; M10-Y112 HydrophobicContact SD-CD1 4.13Å; I13-Y112 HydrophobicContact CD1-CE1 3.72Å; W69-Y112 AromaticContact CD1-CE2 3.5Å; W69-Y112 HydrophobicContact CG-CE2 4.17Å; W69-Y112 AromaticContact NE1-CE2 3.78Å; P72-Y112 HydrophobicContact CB-CE2 4.39Å; P72-Y112 HydrophobicContact CG-CD2 4.35Å; P72-Y112 HydrophobicContact CG-CE2 3.91Å; V106-Y112 HydrophobicContact CG1-CD1 4.08Å; V106-Y112 HydrophobicContact CG1-CD2 4.47Å; V106-Y112 HydrophobicContact CG1-CG 3.8Å; V106-Y112 HydrophobicContact CG2-CD1 4.15Å; V106-Y112 HydrophobicContact CG2-CE1 4.3Å; V106-Y112 HydrophobicContact CG2-CG 4.4Å; N108-Y112 VanDerWaalsContact O-CB 3.28Å; N108-Y112 WeakPolarHBondContact O-CB 3.07Å; N108-Y112 PolarHBondContact O-N 2.86Å; V109-Y112 PolarHBondContact O-N 3Å; D110-Y112 VanDerWaalsContact C-N 3.32Å; D110-Y112 PolarHBondContact O-N 2.94Å; Y112-F114 VanDerWaalsContact C-N 3.27Å; Y112-F114 PolarHBondContact O-N 2.84Å; Y112-S115 WeakPolarHBondContact O-CB 3.49Å; Y112-S115 PolarHBondContact O-N 2.69Å; Y112-S115 PolarHBondContact O-OG 2.89Å; Y112-W116 AromaticContact CE1-CD1 3.88Å; Y112-W116 AromaticContact CE1-NE1 3.39Å; Y112-W116 AromaticContact CE2-NE1 3.68Å; Y112-W116 AromaticContact CZ-NE1 3.19Å; Y112-W116 VanDerWaalsContact O-CD1 3.27Å; Y112-W116 PolarHBondContact O-N 3.03Å; Y112-W116 PolarHBondContact OH-NE1 3.48Å |
| 113 | I | 98.9 | Very high | 98.3 | Very high | 49 Ų | 49 | 33 Ų | 33 | 25% | 0.251 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -54.4 | -45.3 | 174.6 | -69.7 | 167.3 | 0 | 0 | 0 | 111 | M10 V109 D110 S115 W116 | M10-I113 HydrophobicContact CB-CD1 4.13Å; M10-I113 HydrophobicContact CB-CG1 3.6Å; M10-I113 HydrophobicContact CG-CD1 4.13Å; M10-I113 HydrophobicContact CG-CG1 4.05Å; V109-I113 HydrophobicContact CG1-CD1 4.01Å; V109-I113 WeakPolarHBondContact O-CG1 3.47Å; V109-I113 PolarHBondContact O-N 3.02Å; D110-I113 PolarHBondContact O-N 2.83Å; I113-S115 VanDerWaalsContact C-N 3.28Å; I113-S115 PolarHBondContact O-N 3.32Å; I113-W116 PolarHBondContact O-N 2.71Å |
| 114 | F | 98.8 | Very high | 98.3 | Very high | 39 Ų | 39 | 35.6 Ų | 35.6 | 17% | 0.171 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.6 | -38.7 | 179.1 | -172.7 | -101.5 | 0 | 0 | 0 | 112.3 | D110 G111 Y112 W116 T117 N121 W124 R128 | D110-F114 WeakPolarHBondContact O-CB 3.45Å; D110-F114 PolarHBondContact O-N 2.96Å; G111-F114 WeakPolarHBondContact O-CB 3.41Å; G111-F114 PolarHBondContact O-N 3.2Å; Y112-F114 VanDerWaalsContact C-N 3.27Å; Y112-F114 PolarHBondContact O-N 2.84Å; F114-W116 PolarHBondContact O-N 3.36Å; F114-T117 WeakPolarHBondContact O-CB 3.49Å; F114-T117 PolarHBondContact O-N 2.99Å; F114-T117 VanDerWaalsContact O-N 3.12Å; F114-T117 PolarHBondContact O-OG1 2.81Å; F114-N121 HydrophobicContact CD1-CB 4Å; F114-N121 HydrophobicContact CE1-CB 3.71Å; F114-N121 WeakPolarHBondContact CE1-OD1 3.14Å; F114-N121 HydrophobicContact CZ-CB 4.15Å; F114-N121 VanDerWaalsContact CZ-ND2 3.31Å; F114-N121 WeakPolarHBondContact CZ-ND2 3.49Å; F114-N121 VanDerWaalsContact CZ-OD1 3.27Å; F114-N121 WeakPolarHBondContact CZ-OD1 3.42Å; F114-N121 WeakPolarHBondContact O-CB 3.33Å; F114-W124 HydrophobicContact CD1-CB 3.68Å; F114-W124 AromaticContact CD1-CD1 3.85Å; F114-W124 AromaticContact CD1-CD2 3.66Å; F114-W124 HydrophobicContact CD1-CD2 3.66Å; F114-W124 HydrophobicContact CD1-CE3 4.13Å; F114-W124 AromaticContact CD1-CG 3.43Å; F114-W124 HydrophobicContact CD1-CG 3.43Å; F114-W124 VanDerWaalsContact CD1-CG 3.43Å; F114-W124 HydrophobicContact CE1-CB 4.07Å; F114-W124 AromaticContact CE1-CD2 3.65Å; F114-W124 HydrophobicContact CE1-CD2 3.65Å; F114-W124 AromaticContact CE1-CE3 3.62Å; F114-W124 HydrophobicContact CE1-CE3 3.62Å; F114-W124 AromaticContact CE1-CG 3.86Å; F114-W124 HydrophobicContact CE1-CG 3.86Å; F114-W124 HydrophobicContact CE1-CZ3 4.33Å; F114-R128 HydrophobicContact CB-CG 4.29Å |
| 115 | S | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65 | -20.5 | 177.1 | 75.8 | 0 | 0 | 0 | 0 | 114.4 | W69 G111 Y112 I113 N121 R122 | W69-S115 PolarHBondContact NE1-OG 2.93Å; G111-S115 PolarHBondContact O-N 2.89Å; Y112-S115 WeakPolarHBondContact O-CB 3.49Å; Y112-S115 PolarHBondContact O-N 2.69Å; Y112-S115 PolarHBondContact O-OG 2.89Å; I113-S115 VanDerWaalsContact C-N 3.28Å; I113-S115 PolarHBondContact O-N 3.32Å; S115-N121 WeakPolarHBondContact CA-O 3.49Å; S115-R122 WeakPolarHBondContact O-CA 3.36Å |
| 116 | W | 98.7 | Very high | 98.3 | Very high | 83 Ų | 83 | 36.6 Ų | 36.6 | 31% | 0.314 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -9.2 | 175.9 | -78 | 91.9 | 0 | 0 | 0 | 113.8 | Y7 H8 P9 W69 Y112 I113 F114 N118 | Y7-W116 WeakPolarHBondContact O-CH2 3.5Å; H8-W116 VanDerWaalsContact C-CZ2 3.44Å; H8-W116 WeakPolarHBondContact O-CZ2 3.4Å; P9-W116 HydrophobicContact CB-CD2 4.12Å; P9-W116 HydrophobicContact CB-CE3 4.27Å; P9-W116 HydrophobicContact CB-CG 4.43Å; W69-W116 HydrophobicContact CD2-CZ2 4.13Å; W69-W116 AromaticContact CE2-CE2 3.79Å; W69-W116 AromaticContact CE2-NE1 3.58Å; W69-W116 HydrophobicContact CE3-CH2 4.27Å; W69-W116 AromaticContact CE3-CZ2 3.89Å; W69-W116 HydrophobicContact CE3-CZ2 3.89Å; W69-W116 AromaticContact CH2-CD2 3.61Å; W69-W116 HydrophobicContact CH2-CD2 3.61Å; W69-W116 AromaticContact CH2-CE2 3.58Å; W69-W116 AromaticContact CH2-CE3 3.76Å; W69-W116 HydrophobicContact CH2-CE3 3.76Å; W69-W116 HydrophobicContact CH2-CG 4.24Å; W69-W116 AromaticContact CH2-CH2 3.9Å; W69-W116 HydrophobicContact CH2-CH2 3.9Å; W69-W116 AromaticContact CH2-CZ2 3.74Å; W69-W116 HydrophobicContact CH2-CZ2 3.74Å; W69-W116 AromaticContact CH2-CZ3 3.91Å; W69-W116 HydrophobicContact CH2-CZ3 3.91Å; W69-W116 AromaticContact CZ2-CD1 3.76Å; W69-W116 AromaticContact CZ2-CD2 3.6Å; W69-W116 HydrophobicContact CZ2-CD2 3.6Å; W69-W116 AromaticContact CZ2-CE2 3.45Å; W69-W116 VanDerWaalsContact CZ2-CE2 3.45Å; W69-W116 HydrophobicContact CZ2-CE3 4.24Å; W69-W116 AromaticContact CZ2-CG 3.8Å; W69-W116 HydrophobicContact CZ2-CG 3.8Å; W69-W116 AromaticContact CZ2-CZ2 3.99Å; W69-W116 HydrophobicContact CZ2-CZ2 3.99Å; W69-W116 AromaticContact CZ2-NE1 3.52Å; W69-W116 HydrophobicContact CZ3-CD2 4.4Å; W69-W116 HydrophobicContact CZ3-CE3 4.42Å; W69-W116 AromaticContact CZ3-CH2 3.74Å; W69-W116 HydrophobicContact CZ3-CH2 3.74Å; W69-W116 AromaticContact CZ3-CZ2 3.7Å; W69-W116 HydrophobicContact CZ3-CZ2 3.7Å; W69-W116 HydrophobicContact CZ3-CZ3 4.11Å; W69-W116 AromaticContact NE1-NE1 3.83Å; Y112-W116 AromaticContact CE1-CD1 3.88Å; Y112-W116 AromaticContact CE1-NE1 3.39Å; Y112-W116 AromaticContact CE2-NE1 3.68Å; Y112-W116 AromaticContact CZ-NE1 3.19Å; Y112-W116 VanDerWaalsContact O-CD1 3.27Å; Y112-W116 PolarHBondContact O-N 3.03Å; Y112-W116 PolarHBondContact OH-NE1 3.48Å; I113-W116 PolarHBondContact O-N 2.71Å; F114-W116 PolarHBondContact O-N 3.36Å; W116-N118 PolarHBondContact O-N 3.46Å |
| 117 | T | 98.1 | Very high | 98.3 | Very high | 78 Ų | 78 | 36.5 Ų | 36.5 | 48% | 0.479 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -70.1 | -32.9 | -171.5 | 57 | 0 | 0 | 0 | 0 | 114.1 | F114 N121 | F114-T117 WeakPolarHBondContact O-CB 3.49Å; F114-T117 PolarHBondContact O-N 2.99Å; F114-T117 VanDerWaalsContact O-N 3.12Å; F114-T117 PolarHBondContact O-OG1 2.81Å; T117-N121 PolarHBondContact OG1-ND2 3.15Å |
| 118 | N | 96.4 | Very high | 98.2 | Very high | 75 Ų | 75 | 38.1 Ų | 38.1 | 40% | 0.401 | 21% | 0.205 | S | C | . | . | trans | -172.6 | 171.2 | 174.3 | 55.9 | 69.8 | 0 | 0 | 0 | 110.6 | W116 S120 N121 R122 | W116-N118 PolarHBondContact O-N 3.46Å; N118-S120 VanDerWaalsContact C-N 3.33Å; N118-S120 PolarHBondContact O-N 2.78Å; N118-S120 WeakPolarHBondContact OD1-CA 3.4Å; N118-S120 WeakPolarHBondContact OD1-CB 3.25Å; N118-S120 PolarHBondContact OD1-N 3.46Å; N118-N121 PolarHBondContact ND2-ND2 3.13Å; N118-N121 VanDerWaalsContact ND2-ND2 3.1Å; N118-N121 PolarHBondContact O-N 3.48Å; N118-N121 VanDerWaalsContact O-N 3.14Å; N118-N121 PolarHBondContact OD1-N 3.28Å; N118-R122 PolarHBondContact O-N 3.44Å | ||
| 119 | S | 95.3 | Very high | 98.2 | Very high | 107 Ų | 107 | 38.4 Ų | 38.4 | 75% | 0.748 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -60.2 | -36.1 | 179.8 | 52.7 | 0 | 0 | 0 | 0 | 113.9 | N121 R122 | S119-N121 PolarHBondContact O-N 2.76Å; S119-R122 VanDerWaalsContact O-CB 3.31Å; S119-R122 WeakPolarHBondContact O-CB 3.47Å; S119-R122 PolarHBondContact O-N 3.24Å |
| 120 | S | 96.3 | Very high | 98 | Very high | 107 Ų | 107 | 40.7 Ų | 40.7 | 75% | 0.748 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -65.8 | -27.5 | 177.9 | -54.3 | 0 | 0 | 0 | 0 | 112.7 | N118 | N118-S120 VanDerWaalsContact C-N 3.33Å; N118-S120 PolarHBondContact O-N 2.78Å; N118-S120 WeakPolarHBondContact OD1-CA 3.4Å; N118-S120 WeakPolarHBondContact OD1-CB 3.25Å; N118-S120 PolarHBondContact OD1-N 3.46Å |
| 121 | N | 97.6 | Very high | 97.6 | Very high | 37 Ų | 37 | 40.9 Ų | 40.9 | 20% | 0.198 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -94.1 | -10 | 179.4 | -68.7 | -24.6 | 0 | 0 | 0 | 113.4 | F114 S115 T117 N118 S119 L123 W124 | F114-N121 HydrophobicContact CD1-CB 4Å; F114-N121 HydrophobicContact CE1-CB 3.71Å; F114-N121 WeakPolarHBondContact CE1-OD1 3.14Å; F114-N121 HydrophobicContact CZ-CB 4.15Å; F114-N121 VanDerWaalsContact CZ-ND2 3.31Å; F114-N121 WeakPolarHBondContact CZ-ND2 3.49Å; F114-N121 VanDerWaalsContact CZ-OD1 3.27Å; F114-N121 WeakPolarHBondContact CZ-OD1 3.42Å; F114-N121 WeakPolarHBondContact O-CB 3.33Å; S115-N121 WeakPolarHBondContact CA-O 3.49Å; T117-N121 PolarHBondContact OG1-ND2 3.15Å; N118-N121 PolarHBondContact ND2-ND2 3.13Å; N118-N121 VanDerWaalsContact ND2-ND2 3.1Å; N118-N121 PolarHBondContact O-N 3.48Å; N118-N121 VanDerWaalsContact O-N 3.14Å; N118-N121 PolarHBondContact OD1-N 3.28Å; S119-N121 PolarHBondContact O-N 2.76Å; N121-L123 PolarHBondContact O-N 3.37Å; N121-W124 WeakPolarHBondContact O-CB 3.34Å; N121-W124 PolarHBondContact O-N 3.28Å |
| 122 | R | 98.4 | Very high | 97 | Very high | 22 Ų | 22 | 44.7 Ų | 44.7 | 8% | 0.083 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -33.2 | -176.4 | 176.7 | 56.2 | -175 | 77 | 1.4 | 114.2 | R67 W69 S115 N118 S119 F278 | R67-R122 WeakPolarHBondContact CB-O 3.45Å; R67-R122 PolarHBondContact O-NH1 2.98Å; W69-R122 VanDerWaalsContact CD2-NH2 3.28Å; W69-R122 VanDerWaalsContact CE3-NE 3.31Å; W69-R122 VanDerWaalsContact CE3-NH2 3.34Å; W69-R122 VanDerWaalsContact CH2-NE 3.29Å; W69-R122 VanDerWaalsContact CZ2-NE 3.34Å; W69-R122 VanDerWaalsContact CZ3-NE 3.26Å; S115-R122 WeakPolarHBondContact O-CA 3.36Å; N118-R122 PolarHBondContact O-N 3.44Å; S119-R122 VanDerWaalsContact O-CB 3.31Å; S119-R122 WeakPolarHBondContact O-CB 3.47Å; S119-R122 PolarHBondContact O-N 3.24Å; R122-F278 PolarHBondContact NH2-O 3.25Å |
| 123 | L | 98.5 | Very high | 96.1 | Very high | 83 Ų | 83 | 46.9 Ų | 46.9 | 44% | 0.435 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 13 | -178.4 | -60.4 | -178.9 | 0 | 0 | 0 | 113.8 | R67 N121 R125 F278 E279 | R67-L123 WeakPolarHBondContact CD-O 3.24Å; R67-L123 PolarHBondContact NH1-O 3.42Å; N121-L123 PolarHBondContact O-N 3.37Å; L123-R125 PolarHBondContact O-N 3.45Å; L123-F278 HydrophobicContact CD2-CB 4.14Å; L123-F278 HydrophobicContact CD2-CD2 4.38Å; L123-E279 HydrophobicContact CD2-CG 4.19Å |
| 124 | W | 98.7 | Very high | 94.9 | Very high | 55 Ų | 55 | 48 Ų | 48 | 21% | 0.208 | 29% | 0.288 | C | S | . | . | trans | -60.8 | 133 | 172.3 | -172.8 | -96.8 | 0 | 0 | 0 | 110.8 | A66 R67 F114 N121 K126 N127 R128 Y137 | A66-W124 CarbonylContact C-O 3.13Å; A66-W124 VanDerWaalsContact CB-O 3.26Å; A66-W124 WeakPolarHBondContact CB-O 3.37Å; R67-W124 VanDerWaalsContact CB-O 3.25Å; R67-W124 WeakPolarHBondContact CB-O 3.31Å; R67-W124 PolarHBondContact N-O 2.91Å; F114-W124 HydrophobicContact CD1-CB 3.68Å; F114-W124 AromaticContact CD1-CD1 3.85Å; F114-W124 AromaticContact CD1-CD2 3.66Å; F114-W124 HydrophobicContact CD1-CD2 3.66Å; F114-W124 HydrophobicContact CD1-CE3 4.13Å; F114-W124 AromaticContact CD1-CG 3.43Å; F114-W124 HydrophobicContact CD1-CG 3.43Å; F114-W124 VanDerWaalsContact CD1-CG 3.43Å; F114-W124 HydrophobicContact CE1-CB 4.07Å; F114-W124 AromaticContact CE1-CD2 3.65Å; F114-W124 HydrophobicContact CE1-CD2 3.65Å; F114-W124 AromaticContact CE1-CE3 3.62Å; F114-W124 HydrophobicContact CE1-CE3 3.62Å; F114-W124 AromaticContact CE1-CG 3.86Å; F114-W124 HydrophobicContact CE1-CG 3.86Å; F114-W124 HydrophobicContact CE1-CZ3 4.33Å; N121-W124 WeakPolarHBondContact O-CB 3.34Å; N121-W124 PolarHBondContact O-N 3.28Å; W124-K126 HydrophobicContact CZ2-CB 4.28Å; W124-K126 PolarHBondContact NE1-O 3.15Å; W124-N127 WeakPolarHBondContact CZ2-O 3.35Å; W124-N127 PolarHBondContact NE1-O 2.9Å; W124-N127 VanDerWaalsContact NE1-O 3.13Å; W124-R128 VanDerWaalsContact CH2-NH1 3.29Å; W124-Y137 WeakPolarHBondContact CH2-O 3.37Å | ||
| 125 | R | 98.7 | Very high | 94.3 | Very high | 15 Ų | 15 | 52 Ų | 52 | 6% | 0.057 | 31% | 0.311 | C | S | . | . | trans | -108.2 | -50.3 | -175.2 | 178.9 | -172.6 | 168.1 | 83.2 | -7.5 | 112.9 | H65 A66 E68 N108 L123 D140 N161 | H65-R125 WeakPolarHBondContact CA-O 3.43Å; H65-R125 HydrophobicContact CB-CG 3.94Å; H65-R125 PolarHBondContact CE1-NH1 3.01Å; H65-R125 PolarHBondContact CE1-NH2 3.17Å; H65-R125 PolarHBondContact ND1-NH1 3.34Å; H65-R125 PolarHBondContact NE2-NH2 3.05Å; A66-R125 PolarHBondContact N-O 3.37Å; E68-R125 IonicContact OE1-NH1 2.71Å; E68-R125 PolarHBondContact OE1-NH1 3.43Å; N108-R125 PolarHBondContact ND2-O 2.97Å; L123-R125 PolarHBondContact O-N 3.45Å; R125-D140 IonicContact CZ-OD2 3.75Å; R125-D140 IonicContact NE-OD1 3.63Å; R125-D140 IonicContact NE-OD2 4Å; R125-D140 PolarHBondContact NE-OD2 3.29Å; R125-D140 VanDerWaalsContact NE-OD2 3.09Å; R125-D140 IonicContact NH2-OD1 3.11Å; R125-D140 IonicContact NH2-OD2 3.09Å; R125-D140 PolarHBondContact NH2-OD2 2.94Å; R125-N161 WeakPolarHBondContact CD-O 3.27Å; R125-N161 PolarHBondContact NE-O 3.08Å | ||
| 126 | K | 98.8 | Very high | 93.9 | Very high | 7 Ų | 7 | 52 Ų | 52 | 3% | 0.03 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -71.8 | 177.2 | -167.5 | -64.7 | -168.8 | -63.3 | 169.2 | 0 | 112.3 | N108 W124 Y137 G138 T139 D140 C158 S160 | N108-K126 PolarHBondContact ND2-O 3.07Å; W124-K126 HydrophobicContact CZ2-CB 4.28Å; W124-K126 PolarHBondContact NE1-O 3.15Å; K126-Y137 WeakPolarHBondContact CE-O 3.36Å; K126-Y137 PolarHBondContact NZ-O 2.87Å; K126-G138 WeakPolarHBondContact CD-O 3.17Å; K126-G138 VanDerWaalsContact CE-O 3.31Å; K126-G138 WeakPolarHBondContact CE-O 3.47Å; K126-G138 PolarHBondContact NZ-O 3.06Å; K126-T139 WeakPolarHBondContact CA-O 3.35Å; K126-T139 VanDerWaalsContact CB-O 3.28Å; K126-T139 WeakPolarHBondContact CB-O 3.3Å; K126-D140 HydrophobicContact CG-CB 4.49Å; K126-C158 PolarHBondContact NZ-O 2.83Å; K126-S160 WeakPolarHBondContact CD-O 3.49Å; K126-S160 PolarHBondContact NZ-O 2.73Å |
| 127 | N | 98.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -72.2 | -165.1 | 163.6 | 77.1 | -10.4 | 0 | 0 | 0 | 111 | N108 W124 S129 G138 T139 L141 E171 E173 | N108-N127 PolarHBondContact ND2-N 2.8Å; N108-N127 WeakPolarHBondContact OD1-CA 3.42Å; W124-N127 WeakPolarHBondContact CZ2-O 3.35Å; W124-N127 PolarHBondContact NE1-O 2.9Å; W124-N127 VanDerWaalsContact NE1-O 3.13Å; N127-S129 PolarHBondContact OD1-OG 3.08Å; N127-G138 VanDerWaalsContact O-CA 3.24Å; N127-G138 WeakPolarHBondContact O-CA 3.4Å; N127-G138 VanDerWaalsContact OD1-CA 3.31Å; N127-G138 WeakPolarHBondContact OD1-CA 3.36Å; N127-T139 PolarHBondContact N-O 2.86Å; N127-T139 VanDerWaalsContact N-O 3.1Å; N127-T139 PolarHBondContact OD1-N 2.8Å; N127-T139 PolarHBondContact OD1-O 3.49Å; N127-L141 HydrophobicContact CB-CD1 4.12Å; N127-L141 HydrophobicContact CB-CD2 4.13Å; N127-L141 HydrophobicContact CB-CG 4.07Å; N127-E171 PolarHBondContact ND2-OE2 2.9Å; N127-E173 PolarHBondContact ND2-OE2 2.67Å | ||
| 128 | R | 98.1 | Very high | 93.7 | Very high | 36 Ų | 36 | 49.3 Ų | 49.3 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | trans | -118.8 | 15.1 | -175.9 | -65.9 | -62.1 | -58.3 | 161.6 | 3.7 | 114.7 | E38 D110 F114 W124 | E38-R128 HydrophobicContact CG-CB 4.36Å; E38-R128 WeakPolarHBondContact OE1-CB 3.3Å; D110-R128 HydrophobicContact CB-CB 3.75Å; D110-R128 HydrophobicContact CB-CG 3.66Å; F114-R128 HydrophobicContact CB-CG 4.29Å; W124-R128 VanDerWaalsContact CH2-NH1 3.29Å | ||
| 129 | S | 97.2 | Very high | 93.8 | Very high | 6 Ų | 6 | 46 Ų | 46 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | trans | -63.4 | 149.3 | 173.4 | 64.2 | 0 | 0 | 0 | 0 | 111.8 | N127 Y137 G138 E171 | N127-S129 PolarHBondContact OD1-OG 3.08Å; S129-Y137 CarbonylContact O-C 3.59Å; S129-Y137 WeakPolarHBondContact O-CA 3.47Å; S129-G138 PolarHBondContact O-N 2.87Å; S129-E171 WeakPolarHBondContact CB-OE2 3.38Å; S129-E171 PolarHBondContact OG-OE2 3.2Å | ||
| 130 | P | 95.4 | Very high | 94 | Very high | 51 Ų | 51 | 40.9 Ų | 40.9 | 33% | 0.331 | 24% | 0.24 | S | C | . | . | B | Isolated β-bridge | trans | -70.9 | 139.7 | 174 | 29.8 | -34.3 | 0 | 0 | 0 | 110.1 | Y37 | Y37-P130 HydrophobicContact CE1-CG 4.28Å; Y37-P130 HydrophobicContact CE2-CG 4.33Å; Y37-P130 WeakPolarHBondContact OH-CD 3.13Å; Y37-P130 VanDerWaalsContact OH-CG 3.23Å; Y37-P130 WeakPolarHBondContact OH-CG 3.42Å |
| 131 | G | 89.6 | Confident | 94.1 | Very high | 6 Ų | 6 | 35.8 Ų | 35.8 | 6% | 0.062 | 20% | 0.204 | C | C | . | . | trans | -68.1 | -179.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S133 C136 R166 | G131-S133 PolarHBondContact O-N 2.8Å; G131-C136 WeakPolarHBondContact CA-O 3.22Å; G131-C136 PolarHBondContact N-O 2.95Å; G131-R166 PolarHBondContact O-NH2 2.96Å | ||
| 132 | P | 88.1 | Confident | 94.2 | Very high | 79 Ų | 79 | 34.5 Ų | 34.5 | 51% | 0.513 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -64.3 | -28.1 | 171.3 | 26.2 | -32.2 | 0 | 0 | 0 | 113.1 | C158 | P132-C158 HydrophobicContact CG-CB 4.06Š|
| 133 | S | 78.7 | Confident | 94.2 | Very high | 48 Ų | 48 | 33.6 Ų | 33.6 | 34% | 0.336 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -107 | 152.4 | 172.3 | 70.7 | 0 | 0 | 0 | 0 | 111.1 | G131 D135 C136 | G131-S133 PolarHBondContact O-N 2.8Å; S133-D135 WeakPolarHBondContact CB-OD1 3.41Å; S133-D135 PolarHBondContact O-N 2.75Å; S133-D135 PolarHBondContact OG-OD1 3.07Å; S133-C136 PolarHBondContact O-N 2.99Å; S133-C136 WeakPolarHBondContact OG-CB 3.3Å |
| 134 | G | 74.4 | Confident | 94.2 | Very high | 72 Ų | 72 | 29.6 Ų | 29.6 | 74% | 0.742 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 135 | D | 85.3 | Confident | 94.2 | Very high | 125 Ų | 125 | 27 Ų | 27 | 67% | 0.668 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 0.4 | -179.6 | 42.4 | -6.2 | 0 | 0 | 0 | 112.9 | S133 | S133-D135 WeakPolarHBondContact CB-OD1 3.41Å; S133-D135 PolarHBondContact O-N 2.75Å; S133-D135 PolarHBondContact OG-OD1 3.07Å |
| 136 | C | 90.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | trans | -119.5 | 137 | -173.5 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | G131 S133 C158 N159 | G131-C136 WeakPolarHBondContact CA-O 3.22Å; G131-C136 PolarHBondContact N-O 2.95Å; S133-C136 PolarHBondContact O-N 2.99Å; S133-C136 WeakPolarHBondContact OG-CB 3.3Å; C136-C158 HydrophobicContact CB-CB 4.27Å; C136-C158 WeakPolarHBondContact CB-SG 3.31Å; C136-C158 VanDerWaalsContact SG-CA 3.5Å; C136-C158 WeakPolarHBondContact SG-CB 3.19Å; C136-C158 PolarHBondContact SG-O 2.87Å; C136-C158 CovalentContact SG-SG 2.01Å; C136-C158 PolarHBondContact SG-SG 2.69Å; C136-N159 PolarHBondContact SG-N 3.08Å | ||
| 137 | Y | 95.6 | Very high | 94.1 | Very high | 103 Ų | 103 | 30 Ų | 30 | 40% | 0.404 | 18% | 0.181 | S | C | . | . | B | Isolated β-bridge | trans | -136.7 | 143.8 | -178 | -67.4 | -92 | 0 | 0 | 0 | 112 | W124 K126 S129 | W124-Y137 WeakPolarHBondContact CH2-O 3.37Å; K126-Y137 WeakPolarHBondContact CE-O 3.36Å; K126-Y137 PolarHBondContact NZ-O 2.87Å; S129-Y137 CarbonylContact O-C 3.59Å; S129-Y137 WeakPolarHBondContact O-CA 3.47Å |
| 138 | G | 97.7 | Very high | 94 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | trans | 84.9 | 148.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | K126 N127 S129 | K126-G138 WeakPolarHBondContact CD-O 3.17Å; K126-G138 VanDerWaalsContact CE-O 3.31Å; K126-G138 WeakPolarHBondContact CE-O 3.47Å; K126-G138 PolarHBondContact NZ-O 3.06Å; N127-G138 VanDerWaalsContact O-CA 3.24Å; N127-G138 WeakPolarHBondContact O-CA 3.4Å; N127-G138 VanDerWaalsContact OD1-CA 3.31Å; N127-G138 WeakPolarHBondContact OD1-CA 3.36Å; S129-G138 PolarHBondContact O-N 2.87Å | ||
| 139 | T | 98.6 | Very high | 94 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | trans | -113.1 | 142.5 | 166.7 | -69.4 | 0 | 0 | 0 | 0 | 108.9 | K126 N127 L141 N144 G165 E171 | K126-T139 WeakPolarHBondContact CA-O 3.35Å; K126-T139 VanDerWaalsContact CB-O 3.28Å; K126-T139 WeakPolarHBondContact CB-O 3.3Å; N127-T139 PolarHBondContact N-O 2.86Å; N127-T139 VanDerWaalsContact N-O 3.1Å; N127-T139 PolarHBondContact OD1-N 2.8Å; N127-T139 PolarHBondContact OD1-O 3.49Å; T139-L141 PolarHBondContact O-N 3.18Å; T139-L141 VanDerWaalsContact O-N 3.14Å; T139-N144 HydrophobicContact CG2-CB 3.99Å; T139-G165 WeakPolarHBondContact OG1-CA 3.4Å; T139-E171 WeakPolarHBondContact CB-OE1 3.21Å; T139-E171 HydrophobicContact CG2-CG 3.47Å; T139-E171 VanDerWaalsContact CG2-CG 3.47Å; T139-E171 VanDerWaalsContact OG1-CD 3.23Å; T139-E171 PolarHBondContact OG1-OE1 3.33Å | ||
| 140 | D | 98.8 | Very high | 94 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -69.6 | 105.8 | 167 | -173.5 | -18.4 | 0 | 0 | 0 | 108.3 | H65 R125 K126 N142 R143 N144 N161 Y163 | H65-D140 IonicContact CD2-OD1 2.7Å; H65-D140 IonicContact NE2-OD1 2.64Å; H65-D140 PolarHBondContact NE2-OD1 3.41Å; H65-D140 VanDerWaalsContact NE2-OD1 3.11Å; R125-D140 IonicContact CZ-OD2 3.75Å; R125-D140 IonicContact NE-OD1 3.63Å; R125-D140 IonicContact NE-OD2 4Å; R125-D140 PolarHBondContact NE-OD2 3.29Å; R125-D140 VanDerWaalsContact NE-OD2 3.09Å; R125-D140 IonicContact NH2-OD1 3.11Å; R125-D140 IonicContact NH2-OD2 3.09Å; R125-D140 PolarHBondContact NH2-OD2 2.94Å; K126-D140 HydrophobicContact CG-CB 4.49Å; D140-N142 PolarHBondContact O-N 2.83Å; D140-N142 PolarHBondContact OD1-N 3.06Å; D140-R143 HydrophobicContact CB-CB 4.08Å; D140-R143 HydrophobicContact CB-CG 3.92Å; D140-R143 PolarHBondContact O-N 2.83Å; D140-N144 PolarHBondContact O-N 2.76Å; D140-N161 WeakPolarHBondContact CB-O 3.25Å; D140-Y163 WeakPolarHBondContact CB-O 3.37Å; D140-Y163 PolarHBondContact N-O 3.33Å | ||
| 141 | L | 98.9 | Very high | 94 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -59.2 | -31.4 | -179 | -68.9 | 178.5 | 0 | 0 | 0 | 112.1 | I64 N108 N127 T139 R143 N144 F145 E171 E173 | I64-L141 HydrophobicContact CD1-CB 3.88Å; I64-L141 HydrophobicContact CG1-CB 3.52Å; I64-L141 HydrophobicContact CG1-CD1 4.1Å; I64-L141 HydrophobicContact CG1-CG 4.48Å; N108-L141 HydrophobicContact CB-CD1 3.72Å; N127-L141 HydrophobicContact CB-CD1 4.12Å; N127-L141 HydrophobicContact CB-CD2 4.13Å; N127-L141 HydrophobicContact CB-CG 4.07Å; T139-L141 PolarHBondContact O-N 3.18Å; T139-L141 VanDerWaalsContact O-N 3.14Å; L141-R143 PolarHBondContact O-N 2.96Å; L141-N144 PolarHBondContact O-N 2.89Å; L141-F145 VanDerWaalsContact O-CD2 3.29Å; L141-F145 WeakPolarHBondContact O-CD2 3.31Å; L141-F145 VanDerWaalsContact O-CE2 3.31Å; L141-F145 WeakPolarHBondContact O-CE2 3.5Å; L141-E171 HydrophobicContact CD2-CB 3.5Å; L141-E171 VanDerWaalsContact CD2-CB 3.5Å; L141-E171 HydrophobicContact CD2-CG 3.79Å; L141-E173 HydrophobicContact CD1-CB 3.78Å; L141-E173 HydrophobicContact CD1-CG 4.1Å; L141-E173 HydrophobicContact CD2-CB 3.92Å |
| 142 | N | 98.8 | Very high | 94.4 | Very high | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.048 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -88.5 | 19.8 | 176.8 | -154.7 | 25.5 | 0 | 0 | 0 | 113 | I64 H65 D140 H195 G251 S252 S253 | I64-N142 HydrophobicContact CD1-CB 4.1Å; H65-N142 WeakPolarHBondContact NE2-CB 3.47Å; D140-N142 PolarHBondContact O-N 2.83Å; D140-N142 PolarHBondContact OD1-N 3.06Å; N142-H195 PolarHBondContact ND2-CE1 3.44Å; N142-H195 PolarHBondContact ND2-NE2 3.28Å; N142-G251 CarbonylContact C-O 3.56Å; N142-S252 WeakPolarHBondContact OD1-CA 3.21Å; N142-S252 WeakPolarHBondContact OD1-CB 3.14Å; N142-S253 PolarHBondContact OD1-N 2.91Å; N142-S253 PolarHBondContact OD1-OG 3.18Å |
| 143 | R | 98.8 | Very high | 94.8 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 1% | 0.011 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -123.4 | 1.3 | 161.7 | -62.9 | -61.2 | -177 | -82 | -8.5 | 112.2 | D140 L141 W149 G153 V154 P164 Y247 S250 G251 | D140-R143 HydrophobicContact CB-CB 4.08Å; D140-R143 HydrophobicContact CB-CG 3.92Å; D140-R143 PolarHBondContact O-N 2.83Å; L141-R143 PolarHBondContact O-N 2.96Å; R143-W149 PolarHBondContact O-NE1 2.9Å; R143-G153 PolarHBondContact NE-O 3.29Å; R143-V154 HydrophobicContact CB-CG1 4.23Å; R143-V154 HydrophobicContact CG-CG1 4.21Å; R143-P164 HydrophobicContact CB-CB 3.88Å; R143-P164 WeakPolarHBondContact O-CB 3.48Å; R143-Y247 VanDerWaalsContact NH2-CE2 3.27Å; R143-Y247 PolarHBondContact NH2-OH 2.87Å; R143-S250 WeakPolarHBondContact CD-O 3.27Å; R143-G251 CarbonylContact C-O 3.34Å; R143-G251 VanDerWaalsContact CA-O 3.31Å; R143-G251 WeakPolarHBondContact CA-O 3.37Å; R143-G251 PolarHBondContact N-O 3.18Å |
| 144 | N | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -99.4 | -10.7 | -170.3 | -165.9 | -114.7 | 0 | 0 | 0 | 113.8 | T139 D140 L141 P164 G167 P168 I169 S170 E171 A174 G251 | T139-N144 HydrophobicContact CG2-CB 3.99Å; D140-N144 PolarHBondContact O-N 2.76Å; L141-N144 PolarHBondContact O-N 2.89Å; N144-P164 PolarHBondContact ND2-O 3.02Å; N144-G167 PolarHBondContact ND2-O 3.4Å; N144-G167 VanDerWaalsContact ND2-O 3.13Å; N144-P168 CarbonylContact O-C 3.59Å; N144-I169 WeakPolarHBondContact O-CA 3.46Å; N144-I169 PolarHBondContact O-N 3.08Å; N144-I169 WeakPolarHBondContact OD1-CA 3.14Å; N144-S170 PolarHBondContact ND2-OG 2.91Å; N144-S170 PolarHBondContact OD1-N 2.82Å; N144-S170 VanDerWaalsContact OD1-N 3.07Å; N144-E171 HydrophobicContact CB-CG 4.34Å; N144-E171 WeakPolarHBondContact OD1-CG 3.31Å; N144-E171 PolarHBondContact OD1-N 3.45Å; N144-A174 HydrophobicContact CB-CB 4.41Å; N144-G251 PolarHBondContact N-O 2.74Å | ||
| 145 | F | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -73.2 | 155.5 | 179.9 | -69.7 | -102.6 | 0 | 0 | 0 | 112 | I64 L141 A147 A174 V177 G251 W256 | I64-F145 HydrophobicContact CD1-CE2 4.02Å; L141-F145 VanDerWaalsContact O-CD2 3.29Å; L141-F145 WeakPolarHBondContact O-CD2 3.31Å; L141-F145 VanDerWaalsContact O-CE2 3.31Å; L141-F145 WeakPolarHBondContact O-CE2 3.5Å; F145-A147 PolarHBondContact O-N 2.73Å; F145-A174 HydrophobicContact CE1-CB 4.47Å; F145-A174 HydrophobicContact CE2-CB 4.13Å; F145-A174 HydrophobicContact CZ-CB 4.12Å; F145-V177 HydrophobicContact CE1-CB 4.02Å; F145-V177 HydrophobicContact CE1-CG1 3.97Å; F145-V177 HydrophobicContact CZ-CB 4.16Å; F145-V177 HydrophobicContact CZ-CG1 4.29Å; F145-G251 WeakPolarHBondContact CB-O 3.46Å; F145-G251 PolarHBondContact N-O 3.4Å; F145-G251 WeakPolarHBondContact O-CA 3.25Å; F145-W256 HydrophobicContact CB-CB 3.72Å; F145-W256 HydrophobicContact CB-CG 4.13Å; F145-W256 HydrophobicContact CD1-CB 4.06Å; F145-W256 AromaticContact CD1-CD2 3.93Å; F145-W256 HydrophobicContact CD1-CD2 3.93Å; F145-W256 HydrophobicContact CD1-CE3 4.08Å; F145-W256 AromaticContact CD1-CG 3.89Å; F145-W256 HydrophobicContact CD1-CG 3.89Å; F145-W256 HydrophobicContact CE1-CE3 4.3Å; F145-W256 HydrophobicContact CG-CB 4.22Å; F145-W256 HydrophobicContact CG-CG 4.46Å |
| 146 | D | 98.2 | Very high | 97.2 | Very high | 85 Ų | 85 | 33.7 Ų | 33.7 | 46% | 0.455 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -78.2 | 69.8 | 176.4 | -168 | 19.8 | 0 | 0 | 0 | 111.5 | P168 I169 | D146-P168 HydrophobicContact CB-CB 3.87Å; D146-I169 HydrophobicContact CB-CD1 3.54Å; D146-I169 HydrophobicContact CB-CG1 4.14Å |
| 147 | A | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -137.4 | 87 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | F145 W149 G251 D255 W256 M259 | F145-A147 PolarHBondContact O-N 2.73Å; A147-W149 PolarHBondContact O-N 3Å; A147-G251 PolarHBondContact O-N 2.98Å; A147-D255 HydrophobicContact CB-CB 3.86Å; A147-W256 HydrophobicContact CB-CB 3.96Å; A147-M259 HydrophobicContact CB-SD 3.73Å |
| 148 | N | 95.9 | Very high | 97.4 | Very high | 37 Ų | 37 | 33.1 Ų | 33.1 | 20% | 0.198 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 53.8 | 36 | -171.7 | -53.3 | -57.3 | 0 | 0 | 0 | 112.1 | G150 I151 F210 S250 | N148-G150 PolarHBondContact O-N 2.96Å; N148-I151 WeakPolarHBondContact O-CB 3.42Å; N148-I151 WeakPolarHBondContact O-CG1 3.29Å; N148-I151 PolarHBondContact O-N 2.86Å; N148-F210 WeakPolarHBondContact OD1-CE2 3.43Å; N148-F210 WeakPolarHBondContact OD1-CZ 3.46Å; N148-S250 WeakPolarHBondContact O-CB 3.34Å |
| 149 | W | 98 | Very high | 97.3 | Very high | 67 Ų | 67 | 37.8 Ų | 37.8 | 25% | 0.254 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 135.8 | -167.1 | 176.1 | 88.5 | 0 | 0 | 0 | 113.1 | R143 A147 I151 P164 G165 G167 P168 | R143-W149 PolarHBondContact O-NE1 2.9Å; A147-W149 PolarHBondContact O-N 3Å; W149-I151 VanDerWaalsContact C-N 3.29Å; W149-I151 PolarHBondContact O-N 2.76Å; W149-P164 HydrophobicContact CZ2-CB 4.14Å; W149-P164 HydrophobicContact CZ2-CG 4.11Å; W149-P164 PolarHBondContact NE1-O 2.89Å; W149-G165 WeakPolarHBondContact CZ2-O 3.46Å; W149-G167 VanDerWaalsContact CH2-CA 3.48Å; W149-P168 HydrophobicContact CB-CB 3.88Å; W149-P168 HydrophobicContact CD2-CB 4.12Å; W149-P168 HydrophobicContact CD2-CG 4.43Å; W149-P168 HydrophobicContact CG-CB 3.73Å; W149-P168 HydrophobicContact CG-CG 4.47Å |
| 150 | G | 96.8 | Very high | 97.3 | Very high | 28 Ų | 28 | 39 Ų | 39 | 29% | 0.289 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 11 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | N148 | N148-G150 PolarHBondContact O-N 2.96Š|
| 151 | I | 96.4 | Very high | 97.2 | Very high | 118 Ų | 118 | 42.4 Ų | 42.4 | 61% | 0.605 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -94.3 | -50.3 | -173.3 | -59.7 | -60.9 | 0 | 0 | 0 | 113.3 | N148 W149 H207 S250 | N148-I151 WeakPolarHBondContact O-CB 3.42Å; N148-I151 WeakPolarHBondContact O-CG1 3.29Å; N148-I151 PolarHBondContact O-N 2.86Å; W149-I151 VanDerWaalsContact C-N 3.29Å; W149-I151 PolarHBondContact O-N 2.76Å; I151-H207 WeakPolarHBondContact CG2-NE2 3.02Å; I151-S250 PolarHBondContact N-OG 3.12Å |
| 152 | V | 97.3 | Very high | 97.2 | Very high | 37 Ų | 37 | 44.9 Ų | 44.9 | 22% | 0.224 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -137.4 | 145.4 | -174 | 67.2 | 0 | 0 | 0 | 0 | 111.4 | V154 H207 A248 N249 S250 | V152-V154 VanDerWaalsContact C-N 3.29Å; V152-V154 PolarHBondContact O-N 2.84Å; V152-H207 HydrophobicContact CG1-CB 4.31Å; V152-A248 HydrophobicContact CG1-CB 4.45Å; V152-A248 HydrophobicContact CG2-CB 3.71Å; V152-N249 WeakPolarHBondContact CG1-O 3.34Å; V152-N249 CarbonylContact O-C 3.18Å; V152-N249 WeakPolarHBondContact O-CA 3.29Å; V152-S250 PolarHBondContact N-OG 2.86Å; V152-S250 VanDerWaalsContact N-OG 3.17Å; V152-S250 WeakPolarHBondContact O-CB 3.4Å; V152-S250 PolarHBondContact O-N 3.32Å; V152-S250 PolarHBondContact O-OG 3Å |
| 153 | G | 96.9 | Very high | 97.1 | Very high | 27 Ų | 27 | 45.3 Ų | 45.3 | 28% | 0.278 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 65.1 | 32.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R143 A248 | R143-G153 PolarHBondContact NE-O 3.29Å; G153-A248 WeakPolarHBondContact CA-O 3.31Å |
| 154 | V | 97.4 | Very high | 97.1 | Very high | 39 Ų | 39 | 45.6 Ų | 45.6 | 24% | 0.236 | 27% | 0.266 | C | S | . | . | trans | -126.3 | 164 | -179.7 | -67.4 | 0 | 0 | 0 | 0 | 110.8 | R143 V152 I162 P164 | R143-V154 HydrophobicContact CB-CG1 4.23Å; R143-V154 HydrophobicContact CG-CG1 4.21Å; V152-V154 VanDerWaalsContact C-N 3.29Å; V152-V154 PolarHBondContact O-N 2.84Å; V154-I162 WeakPolarHBondContact CA-O 3.37Å; V154-P164 HydrophobicContact CB-CB 4.32Å; V154-P164 HydrophobicContact CB-CG 4.1Å; V154-P164 HydrophobicContact CG1-CB 3.91Å; V154-P164 HydrophobicContact CG1-CG 4.24Å | ||
| 155 | S | 97.1 | Very high | 97 | Very high | 27 Ų | 27 | 45.8 Ų | 45.8 | 19% | 0.189 | 27% | 0.268 | C | S | . | . | trans | -126 | 137.8 | 173.6 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | D157 S160 I162 Y163 P164 | S155-D157 PolarHBondContact OG-N 2.88Å; S155-D157 VanDerWaalsContact OG-N 3.11Å; S155-D157 PolarHBondContact OG-O 3.06Å; S155-S160 VanDerWaalsContact CB-OG 3.29Å; S155-S160 WeakPolarHBondContact CB-OG 3.36Å; S155-S160 WeakPolarHBondContact OG-CB 3.3Å; S155-I162 PolarHBondContact N-O 3.23Å; S155-Y163 WeakPolarHBondContact O-CD2 3.22Å; S155-P164 WeakPolarHBondContact O-CD 3.44Å | ||
| 156 | S | 94.3 | Very high | 96.9 | Very high | 121 Ų | 121 | 53.8 Ų | 53.8 | 85% | 0.846 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -79.5 | -18.5 | 170.3 | 58.8 | 0 | 0 | 0 | 0 | 113.2 | C158 | S156-C158 PolarHBondContact O-N 2.81Š|
| 157 | D | 95.6 | Very high | 96.8 | Very high | 83 Ų | 83 | 50.5 Ų | 50.5 | 44% | 0.444 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -70.8 | 118.8 | 169.7 | 174.2 | 14.9 | 0 | 0 | 0 | 109.2 | S155 N159 S160 | S155-D157 PolarHBondContact OG-N 2.88Å; S155-D157 VanDerWaalsContact OG-N 3.11Å; S155-D157 PolarHBondContact OG-O 3.06Å; D157-N159 PolarHBondContact O-N 2.83Å; D157-N159 WeakPolarHBondContact OD1-CB 3.31Å; D157-N159 PolarHBondContact OD1-N 2.97Å; D157-N159 PolarHBondContact OD1-ND2 2.88Å; D157-S160 WeakPolarHBondContact O-CB 3.25Å; D157-S160 PolarHBondContact O-N 3.13Å; D157-S160 VanDerWaalsContact O-N 3.1Å |
| 158 | C | 95.1 | Very high | 96.8 | Very high | 8 Ų | 8 | 53.1 Ų | 53.1 | 5% | 0.054 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -19.2 | -176.6 | 75.1 | 0 | 0 | 0 | 0 | 113 | K126 P132 C136 S156 S160 Y163 | K126-C158 PolarHBondContact NZ-O 2.83Å; P132-C158 HydrophobicContact CG-CB 4.06Å; C136-C158 HydrophobicContact CB-CB 4.27Å; C136-C158 WeakPolarHBondContact CB-SG 3.31Å; C136-C158 VanDerWaalsContact SG-CA 3.5Å; C136-C158 WeakPolarHBondContact SG-CB 3.19Å; C136-C158 PolarHBondContact SG-O 2.87Å; C136-C158 CovalentContact SG-SG 2.01Å; C136-C158 PolarHBondContact SG-SG 2.69Å; S156-C158 PolarHBondContact O-N 2.81Å; C158-S160 PolarHBondContact O-N 3.48Å; C158-Y163 HydrophobicContact CB-CD1 4.01Å; C158-Y163 HydrophobicContact CB-CD2 3.93Å; C158-Y163 HydrophobicContact CB-CE1 3.96Å; C158-Y163 HydrophobicContact CB-CE2 3.89Å; C158-Y163 HydrophobicContact CB-CG 4.01Å |
| 159 | N | 95.6 | Very high | 96.9 | Very high | 99 Ų | 99 | 52.8 Ų | 52.8 | 53% | 0.529 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -16.2 | 173.4 | -67.4 | -66.7 | 0 | 0 | 0 | 112.4 | C136 D157 | C136-N159 PolarHBondContact SG-N 3.08Å; D157-N159 PolarHBondContact O-N 2.83Å; D157-N159 WeakPolarHBondContact OD1-CB 3.31Å; D157-N159 PolarHBondContact OD1-N 2.97Å; D157-N159 PolarHBondContact OD1-ND2 2.88Å |
| 160 | S | 97.3 | Very high | 97 | Very high | 29 Ų | 29 | 51.4 Ų | 51.4 | 20% | 0.203 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -65.1 | 145.7 | 177.5 | -174.2 | 0 | 0 | 0 | 0 | 112.2 | K126 S155 D157 C158 I162 Y163 | K126-S160 WeakPolarHBondContact CD-O 3.49Å; K126-S160 PolarHBondContact NZ-O 2.73Å; S155-S160 VanDerWaalsContact CB-OG 3.29Å; S155-S160 WeakPolarHBondContact CB-OG 3.36Å; S155-S160 WeakPolarHBondContact OG-CB 3.3Å; D157-S160 WeakPolarHBondContact O-CB 3.25Å; D157-S160 PolarHBondContact O-N 3.13Å; D157-S160 VanDerWaalsContact O-N 3.1Å; C158-S160 PolarHBondContact O-N 3.48Å; S160-I162 PolarHBondContact O-N 3.13Å; S160-I162 VanDerWaalsContact OG-CG1 3.24Å; S160-I162 WeakPolarHBondContact OG-CG1 3.29Å; S160-I162 PolarHBondContact OG-N 2.9Å; S160-Y163 PolarHBondContact O-N 3.49Å |
| 161 | N | 97.7 | Very high | 97 | Very high | 73 Ų | 73 | 50.6 Ų | 50.6 | 39% | 0.39 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -10.1 | 173.4 | -85.6 | -46.2 | 0 | 0 | 0 | 113.8 | R125 D140 | R125-N161 WeakPolarHBondContact CD-O 3.27Å; R125-N161 PolarHBondContact NE-O 3.08Å; D140-N161 WeakPolarHBondContact CB-O 3.25Å |
| 162 | I | 98.3 | Very high | 97.2 | Very high | 53 Ų | 53 | 46.5 Ų | 46.5 | 27% | 0.272 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | 26.7 | 179.4 | 57.7 | 166.2 | 0 | 0 | 0 | 111.7 | V154 S155 S160 P164 | V154-I162 WeakPolarHBondContact CA-O 3.37Å; S155-I162 PolarHBondContact N-O 3.23Å; S160-I162 PolarHBondContact O-N 3.13Å; S160-I162 VanDerWaalsContact OG-CG1 3.24Å; S160-I162 WeakPolarHBondContact OG-CG1 3.29Å; S160-I162 PolarHBondContact OG-N 2.9Å; I162-P164 WeakPolarHBondContact O-CD 3.33Å |
| 163 | Y | 98.2 | Very high | 97.2 | Very high | 18 Ų | 18 | 44.8 Ų | 44.8 | 7% | 0.071 | 26% | 0.259 | C | S | . | . | trans | -67.1 | 121 | 172.1 | 175.4 | -117.4 | 0 | 0 | 0 | 110.2 | D140 S155 C158 S160 G165 | D140-Y163 WeakPolarHBondContact CB-O 3.37Å; D140-Y163 PolarHBondContact N-O 3.33Å; S155-Y163 WeakPolarHBondContact O-CD2 3.22Å; C158-Y163 HydrophobicContact CB-CD1 4.01Å; C158-Y163 HydrophobicContact CB-CD2 3.93Å; C158-Y163 HydrophobicContact CB-CE1 3.96Å; C158-Y163 HydrophobicContact CB-CE2 3.89Å; C158-Y163 HydrophobicContact CB-CG 4.01Å; S160-Y163 PolarHBondContact O-N 3.49Å; Y163-G165 VanDerWaalsContact C-N 3.3Å; Y163-G165 PolarHBondContact O-N 3.13Å | ||
| 164 | P | 98 | Very high | 97.3 | Very high | 9 Ų | 9 | 43.5 Ų | 43.5 | 6% | 0.058 | 25% | 0.246 | C | C | . | . | trans | -83.3 | -1.1 | -170.1 | 35.4 | -38.1 | 0 | 0 | 0 | 114.4 | R143 N144 W149 V154 S155 I162 | R143-P164 HydrophobicContact CB-CB 3.88Å; R143-P164 WeakPolarHBondContact O-CB 3.48Å; N144-P164 PolarHBondContact ND2-O 3.02Å; W149-P164 HydrophobicContact CZ2-CB 4.14Å; W149-P164 HydrophobicContact CZ2-CG 4.11Å; W149-P164 PolarHBondContact NE1-O 2.89Å; V154-P164 HydrophobicContact CB-CB 4.32Å; V154-P164 HydrophobicContact CB-CG 4.1Å; V154-P164 HydrophobicContact CG1-CB 3.91Å; V154-P164 HydrophobicContact CG1-CG 4.24Å; S155-P164 WeakPolarHBondContact O-CD 3.44Å; I162-P164 WeakPolarHBondContact O-CD 3.33Å | ||
| 165 | G | 97.1 | Very high | 97.4 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | trans | 94.2 | -175.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T139 W149 Y163 G167 | T139-G165 WeakPolarHBondContact OG1-CA 3.4Å; W149-G165 WeakPolarHBondContact CZ2-O 3.46Å; Y163-G165 VanDerWaalsContact C-N 3.3Å; Y163-G165 PolarHBondContact O-N 3.13Å; G165-G167 VanDerWaalsContact C-N 3.33Å | ||
| 166 | R | 95.4 | Very high | 97.5 | Very high | 168 Ų | 168 | 43.7 Ų | 43.7 | 63% | 0.634 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -83 | -12.7 | -178.1 | -63.1 | -175.5 | -174.5 | -176.5 | 4.2 | 113.5 | G131 | G131-R166 PolarHBondContact O-NH2 2.96Š|
| 167 | G | 97.4 | Very high | 97.7 | Very high | 15 Ų | 15 | 38 Ų | 38 | 16% | 0.155 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -173.3 | 168.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | N144 W149 G165 I169 S170 | N144-G167 PolarHBondContact ND2-O 3.4Å; N144-G167 VanDerWaalsContact ND2-O 3.13Å; W149-G167 VanDerWaalsContact CH2-CA 3.48Å; G165-G167 VanDerWaalsContact C-N 3.33Å; G167-I169 PolarHBondContact O-N 3.48Å; G167-S170 WeakPolarHBondContact O-CB 3.29Å; G167-S170 PolarHBondContact O-N 2.03Å; G167-S170 PolarHBondContact O-OG 2.67Å |
| 168 | P | 98 | Very high | 97.8 | Very high | 56 Ų | 56 | 34.8 Ų | 34.8 | 36% | 0.364 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 136.8 | 170.7 | 27.5 | -32.9 | 0 | 0 | 0 | 109.4 | N144 D146 W149 S170 | N144-P168 CarbonylContact O-C 3.59Å; D146-P168 HydrophobicContact CB-CB 3.87Å; W149-P168 HydrophobicContact CB-CB 3.88Å; W149-P168 HydrophobicContact CD2-CB 4.12Å; W149-P168 HydrophobicContact CD2-CG 4.43Å; W149-P168 HydrophobicContact CG-CB 3.73Å; W149-P168 HydrophobicContact CG-CG 4.47Å; P168-S170 PolarHBondContact O-N 3.36Å |
| 169 | I | 98 | Very high | 98 | Very high | 29 Ų | 29 | 41.6 Ų | 41.6 | 15% | 0.149 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 33.8 | 177.7 | -53.7 | 156.5 | 0 | 0 | 0 | 110.8 | N144 D146 G167 E171 Q175 T178 | N144-I169 WeakPolarHBondContact O-CA 3.46Å; N144-I169 PolarHBondContact O-N 3.08Å; N144-I169 WeakPolarHBondContact OD1-CA 3.14Å; D146-I169 HydrophobicContact CB-CD1 3.54Å; D146-I169 HydrophobicContact CB-CG1 4.14Å; G167-I169 PolarHBondContact O-N 3.48Å; I169-E171 VanDerWaalsContact C-N 3.3Å; I169-Q175 HydrophobicContact CG2-CB 4.13Å; I169-Q175 HydrophobicContact CG2-CG 3.35Å; I169-Q175 VanDerWaalsContact O-CG 3.3Å; I169-Q175 WeakPolarHBondContact O-CG 3.22Å; I169-Q175 PolarHBondContact O-NE2 2.92Å; I169-T178 HydrophobicContact CD1-CG2 3.84Å |
| 170 | S | 98.2 | Very high | 98.1 | Very high | 39 Ų | 39 | 37.5 Ų | 37.5 | 27% | 0.273 | 19% | 0.189 | S | C | . | . | trans | -70.5 | -26.9 | 176.3 | 63.7 | 0 | 0 | 0 | 0 | 113.1 | N144 G167 P168 | N144-S170 PolarHBondContact ND2-OG 2.91Å; N144-S170 PolarHBondContact OD1-N 2.82Å; N144-S170 VanDerWaalsContact OD1-N 3.07Å; G167-S170 WeakPolarHBondContact O-CB 3.29Å; G167-S170 PolarHBondContact O-N 2.03Å; G167-S170 PolarHBondContact O-OG 2.67Å; P168-S170 PolarHBondContact O-N 3.36Å | ||
| 171 | E | 98.7 | Very high | 98.2 | Very high | 11 Ų | 11 | 36.1 Ų | 36.1 | 5% | 0.051 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -89.7 | 137.4 | -175.9 | -52.7 | -47.9 | 125.1 | 0 | 0 | 111.8 | N127 S129 T139 L141 N144 I169 E173 A174 Q175 | N127-E171 PolarHBondContact ND2-OE2 2.9Å; S129-E171 WeakPolarHBondContact CB-OE2 3.38Å; S129-E171 PolarHBondContact OG-OE2 3.2Å; T139-E171 WeakPolarHBondContact CB-OE1 3.21Å; T139-E171 HydrophobicContact CG2-CG 3.47Å; T139-E171 VanDerWaalsContact CG2-CG 3.47Å; T139-E171 VanDerWaalsContact OG1-CD 3.23Å; T139-E171 PolarHBondContact OG1-OE1 3.33Å; L141-E171 HydrophobicContact CD2-CB 3.5Å; L141-E171 VanDerWaalsContact CD2-CB 3.5Å; L141-E171 HydrophobicContact CD2-CG 3.79Å; N144-E171 HydrophobicContact CB-CG 4.34Å; N144-E171 WeakPolarHBondContact OD1-CG 3.31Å; N144-E171 PolarHBondContact OD1-N 3.45Å; I169-E171 VanDerWaalsContact C-N 3.3Å; E171-E173 PolarHBondContact O-N 2.87Å; E171-A174 HydrophobicContact CB-CB 4.43Å; E171-A174 PolarHBondContact O-N 3.37Å; E171-A174 VanDerWaalsContact O-N 3.1Å; E171-Q175 WeakPolarHBondContact O-CG 3.46Å; E171-Q175 PolarHBondContact O-N 2.87Å |
| 172 | P | 98.8 | Very high | 98.2 | Very high | 32 Ų | 32 | 33.6 Ų | 33.6 | 21% | 0.208 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.6 | -27.3 | -176.5 | 29.3 | -36.7 | 0 | 0 | 0 | 112.6 | K35 Q175 A176 | K35-P172 WeakPolarHBondContact O-CB 3.27Å; P172-Q175 PolarHBondContact O-N 3.05Å; P172-A176 WeakPolarHBondContact O-CB 3.03Å; P172-A176 PolarHBondContact O-N 3.41Å |
| 173 | E | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.5 | -42 | 173.2 | -56.5 | 80.3 | -176 | 0 | 0 | 111.8 | S36 Y37 I42 L107 N127 L141 E171 A176 V177 | S36-E173 WeakPolarHBondContact CA-OE1 3.41Å; S36-E173 WeakPolarHBondContact CB-OE1 3.43Å; Y37-E173 PolarHBondContact N-OE1 3.13Å; I42-E173 HydrophobicContact CD1-CB 4.12Å; I42-E173 HydrophobicContact CD1-CG 3.91Å; L107-E173 HydrophobicContact CD1-CB 4.33Å; N127-E173 PolarHBondContact ND2-OE2 2.67Å; L141-E173 HydrophobicContact CD1-CB 3.78Å; L141-E173 HydrophobicContact CD1-CG 4.1Å; L141-E173 HydrophobicContact CD2-CB 3.92Å; E171-E173 PolarHBondContact O-N 2.87Å; E173-A176 PolarHBondContact O-N 3.47Å; E173-V177 PolarHBondContact O-N 3.43Å |
| 174 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.9 | -36.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | N144 F145 E171 A176 V177 T178 | N144-A174 HydrophobicContact CB-CB 4.41Å; F145-A174 HydrophobicContact CE1-CB 4.47Å; F145-A174 HydrophobicContact CE2-CB 4.13Å; F145-A174 HydrophobicContact CZ-CB 4.12Å; E171-A174 HydrophobicContact CB-CB 4.43Å; E171-A174 PolarHBondContact O-N 3.37Å; E171-A174 VanDerWaalsContact O-N 3.1Å; A174-A176 VanDerWaalsContact C-N 3.35Å; A174-V177 PolarHBondContact O-N 3.14Å; A174-T178 WeakPolarHBondContact O-CB 3.06Å; A174-T178 PolarHBondContact O-N 3.09Å; A174-T178 PolarHBondContact O-OG1 2.68Å |
| 175 | Q | 98.8 | Very high | 98 | Very high | 65 Ų | 65 | 42 Ų | 42 | 30% | 0.304 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59 | -45 | 172 | -74.1 | 170.4 | 11.2 | 0 | 0 | 111.7 | I169 E171 P172 V177 T178 Y179 | I169-Q175 HydrophobicContact CG2-CB 4.13Å; I169-Q175 HydrophobicContact CG2-CG 3.35Å; I169-Q175 VanDerWaalsContact O-CG 3.3Å; I169-Q175 WeakPolarHBondContact O-CG 3.22Å; I169-Q175 PolarHBondContact O-NE2 2.92Å; E171-Q175 WeakPolarHBondContact O-CG 3.46Å; E171-Q175 PolarHBondContact O-N 2.87Å; P172-Q175 PolarHBondContact O-N 3.05Å; Q175-V177 PolarHBondContact O-N 3.45Å; Q175-T178 PolarHBondContact O-N 3.06Å; Q175-Y179 HydrophobicContact CB-CD2 4.17Å; Q175-Y179 HydrophobicContact CB-CE2 3.82Å; Q175-Y179 HydrophobicContact CG-CE2 4.17Å; Q175-Y179 WeakPolarHBondContact O-CB 3.36Å; Q175-Y179 VanDerWaalsContact O-CD2 3.25Å; Q175-Y179 WeakPolarHBondContact O-CD2 3.48Å; Q175-Y179 VanDerWaalsContact O-CG 3.32Å; Q175-Y179 PolarHBondContact O-N 2.87Å |
| 176 | A | 98.8 | Very high | 98 | Very high | 6 Ų | 6 | 49.1 Ų | 49.1 | 5% | 0.05 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.7 | -48.8 | 180 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y33 I42 P172 E173 A174 F180 | Y33-A176 HydrophobicContact CD2-CB 3.8Å; Y33-A176 WeakPolarHBondContact CD2-O 3.22Å; Y33-A176 HydrophobicContact CE2-CB 3.68Å; I42-A176 HydrophobicContact CD1-CB 4.13Å; P172-A176 WeakPolarHBondContact O-CB 3.03Å; P172-A176 PolarHBondContact O-N 3.41Å; E173-A176 PolarHBondContact O-N 3.47Å; A174-A176 VanDerWaalsContact C-N 3.35Å; A176-F180 WeakPolarHBondContact O-CB 3.19Å; A176-F180 PolarHBondContact O-N 3.48Å |
| 177 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.3 | -48.7 | 176.4 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | Y33 W59 L107 F145 E173 A174 Q175 Y179 F180 V181 F191 W256 | Y33-V177 HydrophobicContact CE2-CG2 4.26Å; W59-V177 HydrophobicContact CZ2-CG1 4.1Å; W59-V177 HydrophobicContact CZ2-CG2 4.01Å; L107-V177 HydrophobicContact CD1-CG2 3.6Å; L107-V177 HydrophobicContact CD2-CG2 3.7Å; L107-V177 HydrophobicContact CG-CG2 4.34Å; F145-V177 HydrophobicContact CE1-CB 4.02Å; F145-V177 HydrophobicContact CE1-CG1 3.97Å; F145-V177 HydrophobicContact CZ-CB 4.16Å; F145-V177 HydrophobicContact CZ-CG1 4.29Å; E173-V177 PolarHBondContact O-N 3.43Å; A174-V177 PolarHBondContact O-N 3.14Å; Q175-V177 PolarHBondContact O-N 3.45Å; V177-Y179 VanDerWaalsContact C-N 3.33Å; V177-Y179 PolarHBondContact O-N 3.42Å; V177-F180 PolarHBondContact O-N 3.37Å; V177-V181 HydrophobicContact CG1-CG2 4.17Å; V177-V181 WeakPolarHBondContact O-CB 3.38Å; V177-V181 PolarHBondContact O-N 3.49Å; V177-F191 HydrophobicContact CG1-CE2 4.06Å; V177-F191 HydrophobicContact CG1-CZ 4.15Å; V177-W256 HydrophobicContact CG1-CZ3 4.31Å |
| 178 | T | 98.6 | Very high | 98.1 | Very high | 16 Ų | 16 | 42.1 Ų | 42.1 | 10% | 0.098 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57 | -46.3 | -177 | -61.4 | 0 | 0 | 0 | 0 | 111.6 | I169 A174 Q175 G182 W256 | I169-T178 HydrophobicContact CD1-CG2 3.84Å; A174-T178 WeakPolarHBondContact O-CB 3.06Å; A174-T178 PolarHBondContact O-N 3.09Å; A174-T178 PolarHBondContact O-OG1 2.68Å; Q175-T178 PolarHBondContact O-N 3.06Å; T178-G182 WeakPolarHBondContact O-CA 3.36Å; T178-G182 PolarHBondContact O-N 3.22Å; T178-W256 HydrophobicContact CG2-CZ2 3.67Å |
| 179 | Y | 98.6 | Very high | 98.2 | Very high | 152 Ų | 152 | 40.2 Ų | 40.2 | 60% | 0.596 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -76 | -42.1 | -178.3 | -61 | -33.6 | 0 | 0 | 0 | 112.5 | Q175 V177 S183 | Q175-Y179 HydrophobicContact CB-CD2 4.17Å; Q175-Y179 HydrophobicContact CB-CE2 3.82Å; Q175-Y179 HydrophobicContact CG-CE2 4.17Å; Q175-Y179 WeakPolarHBondContact O-CB 3.36Å; Q175-Y179 VanDerWaalsContact O-CD2 3.25Å; Q175-Y179 WeakPolarHBondContact O-CD2 3.48Å; Q175-Y179 VanDerWaalsContact O-CG 3.32Å; Q175-Y179 PolarHBondContact O-N 2.87Å; V177-Y179 VanDerWaalsContact C-N 3.33Å; V177-Y179 PolarHBondContact O-N 3.42Å; Y179-S183 WeakPolarHBondContact O-CB 3.22Å; Y179-S183 PolarHBondContact O-N 2.82Å; Y179-S183 VanDerWaalsContact O-N 3.12Å; Y179-S183 PolarHBondContact O-OG 2.87Å |
| 180 | F | 98.6 | Very high | 98.2 | Very high | 12 Ų | 12 | 38.8 Ų | 38.8 | 5% | 0.053 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.2 | -49.6 | -179.5 | -174.2 | -89 | 0 | 0 | 0 | 112 | V31 Y33 L44 W59 Y102 A176 V177 S183 R184 F188 | V31-F180 HydrophobicContact CG1-CE2 3.95Å; V31-F180 HydrophobicContact CG1-CZ 4.47Å; Y33-F180 VanDerWaalsContact CB-CD2 3.42Å; Y33-F180 HydrophobicContact CD2-CB 3.77Å; Y33-F180 HydrophobicContact CD2-CD2 4.37Å; Y33-F180 HydrophobicContact CD2-CG 4.11Å; Y33-F180 HydrophobicContact CG-CB 4.38Å; Y33-F180 HydrophobicContact CG-CD2 4.14Å; Y33-F180 HydrophobicContact CG-CG 4.29Å; L44-F180 HydrophobicContact CD2-CD1 4.22Å; L44-F180 HydrophobicContact CD2-CE1 3.68Å; L44-F180 HydrophobicContact CD2-CE2 4.25Å; L44-F180 HydrophobicContact CD2-CZ 3.66Å; W59-F180 HydrophobicContact CE3-CD1 4.28Å; W59-F180 HydrophobicContact CE3-CE1 4.37Å; W59-F180 HydrophobicContact CH2-CD1 4.35Å; W59-F180 AromaticContact CZ3-CD1 3.56Å; W59-F180 HydrophobicContact CZ3-CD1 3.56Å; W59-F180 AromaticContact CZ3-CE1 3.78Å; W59-F180 HydrophobicContact CZ3-CE1 3.78Å; Y102-F180 AromaticContact CD1-CE1 3.71Å; Y102-F180 HydrophobicContact CD1-CE1 3.71Å; Y102-F180 AromaticContact CD1-CZ 3.68Å; Y102-F180 HydrophobicContact CD1-CZ 3.68Å; Y102-F180 HydrophobicContact CE1-CE1 4.04Å; Y102-F180 AromaticContact CE1-CZ 3.7Å; Y102-F180 HydrophobicContact CE1-CZ 3.7Å; Y102-F180 HydrophobicContact CG-CE1 4.27Å; A176-F180 WeakPolarHBondContact O-CB 3.19Å; A176-F180 PolarHBondContact O-N 3.48Å; V177-F180 PolarHBondContact O-N 3.37Å; F180-S183 PolarHBondContact O-OG 2.88Å; F180-R184 VanDerWaalsContact CE2-NH1 3.27Å; F180-F188 HydrophobicContact CE1-CZ 4.41Å |
| 181 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -75.7 | -45.5 | -179.5 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | W59 V177 S183 R184 K185 F188 F191 W256 I262 | W59-V181 HydrophobicContact CD2-CG2 3.58Å; W59-V181 HydrophobicContact CE3-CG2 3.45Å; W59-V181 VanDerWaalsContact CE3-CG2 3.45Å; W59-V181 HydrophobicContact CG-CG2 4.17Å; W59-V181 HydrophobicContact CH2-CG2 4.16Å; W59-V181 HydrophobicContact CZ2-CG2 4.27Å; W59-V181 HydrophobicContact CZ3-CG2 3.76Å; V177-V181 HydrophobicContact CG1-CG2 4.17Å; V177-V181 WeakPolarHBondContact O-CB 3.38Å; V177-V181 PolarHBondContact O-N 3.49Å; V181-S183 VanDerWaalsContact C-N 3.33Å; V181-S183 PolarHBondContact O-N 2.86Å; V181-R184 CarbonylContact O-C 3.52Å; V181-R184 VanDerWaalsContact O-C 3.31Å; V181-R184 PolarHBondContact O-N 3.38Å; V181-K185 WeakPolarHBondContact O-CA 3.48Å; V181-K185 PolarHBondContact O-N 3.19Å; V181-F188 HydrophobicContact CB-CE2 4.24Å; V181-F188 HydrophobicContact CG1-CD2 3.89Å; V181-F188 HydrophobicContact CG1-CE2 3.95Å; V181-F188 HydrophobicContact CG1-CG 4.42Å; V181-F188 HydrophobicContact CG2-CE2 4.33Å; V181-F188 HydrophobicContact CG2-CZ 4.26Å; V181-F191 HydrophobicContact CG1-CD2 4.31Å; V181-F191 HydrophobicContact CG1-CE2 4.43Å; V181-F191 HydrophobicContact CG2-CE2 4.35Å; V181-W256 HydrophobicContact CB-CH2 3.93Å; V181-W256 HydrophobicContact CB-CZ3 4.16Å; V181-W256 HydrophobicContact CG1-CH2 4.03Å; V181-W256 HydrophobicContact CG1-CZ3 4.05Å; V181-I262 HydrophobicContact CG1-CD1 3.58Å |
| 182 | G | 97.9 | Very high | 98.2 | Very high | 21 Ų | 21 | 36.4 Ų | 36.4 | 22% | 0.216 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63 | -34.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T178 R184 | T178-G182 WeakPolarHBondContact O-CA 3.36Å; T178-G182 PolarHBondContact O-N 3.22Å; G182-R184 PolarHBondContact O-N 3.26Å |
| 183 | S | 97.3 | Very high | 98.2 | Very high | 88 Ų | 88 | 34.9 Ų | 34.9 | 62% | 0.615 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -10.7 | 175.3 | 61.9 | 0 | 0 | 0 | 0 | 114.1 | Y179 F180 V181 | Y179-S183 WeakPolarHBondContact O-CB 3.22Å; Y179-S183 PolarHBondContact O-N 2.82Å; Y179-S183 VanDerWaalsContact O-N 3.12Å; Y179-S183 PolarHBondContact O-OG 2.87Å; F180-S183 PolarHBondContact O-OG 2.88Å; V181-S183 VanDerWaalsContact C-N 3.33Å; V181-S183 PolarHBondContact O-N 2.86Å |
| 184 | R | 96.6 | Very high | 98.2 | Very high | 93 Ų | 93 | 34.9 Ų | 34.9 | 35% | 0.351 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -136.6 | 22.7 | -176.5 | -51.6 | 175.2 | -159.5 | 161.3 | 8.2 | 112.3 | F180 V181 G182 E186 D187 F188 | F180-R184 VanDerWaalsContact CE2-NH1 3.27Å; V181-R184 CarbonylContact O-C 3.52Å; V181-R184 VanDerWaalsContact O-C 3.31Å; V181-R184 PolarHBondContact O-N 3.38Å; G182-R184 PolarHBondContact O-N 3.26Å; R184-E186 PolarHBondContact O-N 3.03Å; R184-D187 WeakPolarHBondContact O-CB 3.36Å; R184-D187 PolarHBondContact O-N 3.24Å; R184-F188 HydrophobicContact CB-CD2 4.49Å; R184-F188 HydrophobicContact CB-CE2 4.02Å; R184-F188 WeakPolarHBondContact O-CD2 3.47Å |
| 185 | K | 95.8 | Very high | 98.2 | Very high | 75 Ų | 75 | 34.9 Ų | 34.9 | 33% | 0.326 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -54.4 | -33.1 | -170.5 | 60 | -178.6 | -179.5 | 171.2 | 0 | 114.1 | V181 D187 F188 Q260 | V181-K185 WeakPolarHBondContact O-CA 3.48Å; V181-K185 PolarHBondContact O-N 3.19Å; K185-D187 PolarHBondContact O-N 2.71Å; K185-F188 PolarHBondContact O-N 3.37Å; K185-Q260 HydrophobicContact CB-CB 4.24Å; K185-Q260 HydrophobicContact CD-CB 3.97Å |
| 186 | E | 97.2 | Very high | 98.2 | Very high | 154 Ų | 154 | 31.9 Ų | 31.9 | 72% | 0.72 | 16% | 0.157 | S | C | * | . | G | 310 helix | trans | -68 | -19.7 | 177.8 | -60.8 | -177.9 | 179.2 | 0 | 0 | 113.9 | K56 R184 | K56-E186 PolarHBondContact NZ-O 3.31Å; R184-E186 PolarHBondContact O-N 3.03Å |
| 187 | D | 97.6 | Very high | 98.2 | Very high | 32 Ų | 32 | 35.8 Ų | 35.8 | 17% | 0.171 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -83.7 | -25.9 | 178.1 | -62.2 | -25.1 | 0 | 0 | 0 | 111.3 | K54 K56 A57 R184 K185 | K54-D187 WeakPolarHBondContact CE-OD1 3.37Å; K54-D187 IonicContact NZ-OD1 2.66Å; K54-D187 PolarHBondContact NZ-OD1 2.82Å; K54-D187 IonicContact NZ-OD2 3.95Å; K56-D187 CarbonylContact C-O 3.53Å; K56-D187 WeakPolarHBondContact CA-O 3.49Å; K56-D187 VanDerWaalsContact CD-O 3.31Å; K56-D187 WeakPolarHBondContact CD-O 3.43Å; A57-D187 HydrophobicContact CB-CB 4.45Å; A57-D187 PolarHBondContact N-O 3.27Å; R184-D187 WeakPolarHBondContact O-CB 3.36Å; R184-D187 PolarHBondContact O-N 3.24Å; K185-D187 PolarHBondContact O-N 2.71Å |
| 188 | F | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 123.3 | -176.2 | -71.6 | -80.5 | 0 | 0 | 0 | 112.8 | A57 W59 Y102 F180 V181 R184 K185 I262 | A57-F188 HydrophobicContact CB-CD1 3.47Å; A57-F188 VanDerWaalsContact CB-CD1 3.47Å; A57-F188 HydrophobicContact CB-CE1 3.56Å; A57-F188 HydrophobicContact CB-CG 4Å; A57-F188 HydrophobicContact CB-CZ 4.15Å; A57-F188 CarbonylContact O-C 3.56Å; A57-F188 WeakPolarHBondContact O-CA 3.43Å; W59-F188 HydrophobicContact CB-CD1 3.75Å; W59-F188 HydrophobicContact CB-CE1 3.68Å; W59-F188 HydrophobicContact CE3-CE1 4.19Å; W59-F188 HydrophobicContact CE3-CZ 4.24Å; Y102-F188 AromaticContact CD2-CE1 3.83Å; Y102-F188 HydrophobicContact CD2-CE1 3.83Å; Y102-F188 HydrophobicContact CD2-CZ 4.15Å; Y102-F188 HydrophobicContact CE2-CE1 4.47Å; Y102-F188 HydrophobicContact CG-CE1 4.36Å; F180-F188 HydrophobicContact CE1-CZ 4.41Å; V181-F188 HydrophobicContact CB-CE2 4.24Å; V181-F188 HydrophobicContact CG1-CD2 3.89Å; V181-F188 HydrophobicContact CG1-CE2 3.95Å; V181-F188 HydrophobicContact CG1-CG 4.42Å; V181-F188 HydrophobicContact CG2-CE2 4.33Å; V181-F188 HydrophobicContact CG2-CZ 4.26Å; R184-F188 HydrophobicContact CB-CD2 4.49Å; R184-F188 HydrophobicContact CB-CE2 4.02Å; R184-F188 WeakPolarHBondContact O-CD2 3.47Å; K185-F188 PolarHBondContact O-N 3.37Å; F188-I262 HydrophobicContact CB-CD1 3.98Å; F188-I262 HydrophobicContact CB-CG1 4.17Å; F188-I262 HydrophobicContact CB-CG2 4.2Å |
| 189 | L | 98.7 | Very high | 98.2 | Very high | 15 Ų | 15 | 36.4 Ų | 36.4 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -28.2 | 173 | -60.1 | 178.5 | 0 | 0 | 0 | 112.2 | K56 A57 I58 M99 L264 A303 T307 F308 | K56-L189 HydrophobicContact CB-CD1 3.75Å; K56-L189 HydrophobicContact CB-CG 3.91Å; K56-L189 HydrophobicContact CD-CD2 4.09Å; K56-L189 HydrophobicContact CD-CG 4.31Å; K56-L189 HydrophobicContact CG-CD1 4.02Å; K56-L189 HydrophobicContact CG-CD2 4.25Å; K56-L189 HydrophobicContact CG-CG 4.14Å; A57-L189 PolarHBondContact O-N 3.49Å; I58-L189 HydrophobicContact CD1-CB 4.31Å; M99-L189 HydrophobicContact SD-CD1 3.79Å; L189-L264 PolarHBondContact O-N 3.41Å; L189-A303 HydrophobicContact CB-CB 4.2Å; L189-T307 HydrophobicContact CD1-CG2 4.18Å; L189-T307 WeakPolarHBondContact CD1-OG1 3.24Å; L189-T307 HydrophobicContact CD2-CG2 4.41Å; L189-F308 HydrophobicContact CD1-CE2 4.23Å |
| 190 | C | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 146.7 | -179.5 | -59 | 0 | 0 | 0 | 0 | 112.1 | I58 W59 L192 L264 A303 | I58-C190 HydrophobicContact CD1-CB 3.76Å; I58-C190 HydrophobicContact CG2-CB 4.25Å; W59-C190 PolarHBondContact N-O 3.34Å; C190-L192 HydrophobicContact CB-CD2 4.5Å; C190-L264 CarbonylContact C-O 3.6Å; C190-L264 WeakPolarHBondContact CA-O 3.43Å; C190-L264 HydrophobicContact CB-CB 4.44Å; C190-A303 WeakPolarHBondContact SG-CB 3.44Å |
| 191 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 108.3 | 168.4 | -171.8 | -78.7 | 0 | 0 | 0 | 109.3 | W59 D61 V177 V181 T193 W256 A257 I262 L264 T265 F266 | W59-F191 HydrophobicContact CB-CD2 4.01Å; W59-F191 AromaticContact CD1-CD2 3.27Å; W59-F191 AromaticContact CD1-CE2 3.18Å; W59-F191 AromaticContact CD1-CG 3.79Å; W59-F191 AromaticContact CD1-CZ 3.61Å; W59-F191 HydrophobicContact CD2-CE2 4.39Å; W59-F191 AromaticContact CG-CD2 3.72Å; W59-F191 HydrophobicContact CG-CD2 3.72Å; W59-F191 AromaticContact CG-CE2 3.84Å; W59-F191 HydrophobicContact CG-CE2 3.84Å; W59-F191 HydrophobicContact CG-CG 4.44Å; W59-F191 AromaticContact NE1-CD2 3.97Å; W59-F191 AromaticContact NE1-CE2 3.36Å; W59-F191 AromaticContact NE1-CZ 3.53Å; D61-F191 WeakPolarHBondContact OD2-CZ 3.34Å; V177-F191 HydrophobicContact CG1-CE2 4.06Å; V177-F191 HydrophobicContact CG1-CZ 4.15Å; V181-F191 HydrophobicContact CG1-CD2 4.31Å; V181-F191 HydrophobicContact CG1-CE2 4.43Å; V181-F191 HydrophobicContact CG2-CE2 4.35Å; F191-T193 HydrophobicContact CE1-CG2 4.37Å; F191-W256 HydrophobicContact CE2-CZ3 4.23Å; F191-A257 HydrophobicContact CB-CB 3.75Å; F191-A257 HydrophobicContact CD1-CB 3.68Å; F191-A257 HydrophobicContact CD2-CB 3.57Å; F191-A257 HydrophobicContact CE1-CB 4.15Å; F191-A257 HydrophobicContact CE2-CB 4.04Å; F191-A257 HydrophobicContact CG-CB 3.38Å; F191-A257 HydrophobicContact CZ-CB 4.32Å; F191-I262 HydrophobicContact CB-CD1 4.46Å; F191-I262 HydrophobicContact CB-CG2 4.08Å; F191-I262 HydrophobicContact CD2-CD1 4.3Å; F191-L264 PolarHBondContact N-O 3.19Å; F191-T265 HydrophobicContact CB-CG2 3.88Å; F191-T265 VanDerWaalsContact O-CA 3.31Å; F191-T265 WeakPolarHBondContact O-CA 3.49Å; F191-F266 PolarHBondContact O-N 3.04Å |
| 192 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 115.2 | -178.8 | -50.6 | -178.1 | 0 | 0 | 0 | 109.1 | W59 M60 D61 C190 I194 F266 F268 A296 I299 I300 | W59-L192 PolarHBondContact O-N 3.01Å; M60-L192 CarbonylContact C-O 3.39Å; M60-L192 WeakPolarHBondContact CA-O 3.39Å; M60-L192 HydrophobicContact CB-CB 4.46Å; M60-L192 HydrophobicContact CE-CD1 3.78Å; M60-L192 HydrophobicContact CG-CB 4.35Å; D61-L192 PolarHBondContact N-O 3.27Å; C190-L192 HydrophobicContact CB-CD2 4.5Å; L192-I194 HydrophobicContact CB-CD1 4.29Å; L192-F266 HydrophobicContact CD2-CB 3.99Å; L192-F266 HydrophobicContact CD2-CD2 4.17Å; L192-F268 HydrophobicContact CD2-CE2 4.27Å; L192-A296 HydrophobicContact CD1-CB 4.34Å; L192-I299 HydrophobicContact CD2-CD1 4.34Å; L192-I299 HydrophobicContact CD2-CG2 4.2Å; L192-I300 HydrophobicContact CD1-CD1 4.02Å; L192-I300 HydrophobicContact CD1-CG1 4.13Å |
| 193 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 121.8 | 174 | -175.1 | 0 | 0 | 0 | 0 | 108.9 | D61 F191 H195 R254 F266 T267 F268 | D61-T193 WeakPolarHBondContact OD1-CB 3.36Å; D61-T193 PolarHBondContact OD1-OG1 3.03Å; F191-T193 HydrophobicContact CE1-CG2 4.37Å; T193-H195 PolarHBondContact OG1-NE2 3.26Å; T193-R254 HydrophobicContact CG2-CB 4.23Å; T193-F266 PolarHBondContact N-O 3.49Å; T193-T267 HydrophobicContact CG2-CG2 4.28Å; T193-T267 VanDerWaalsContact CG2-OG1 3.29Å; T193-T267 WeakPolarHBondContact CG2-OG1 3.14Å; T193-T267 VanDerWaalsContact O-CA 3.29Å; T193-T267 WeakPolarHBondContact O-CA 3.44Å; T193-F268 PolarHBondContact O-N 3.48Å |
| 194 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 126.3 | -169.2 | -45.3 | -58.6 | 0 | 0 | 0 | 109.9 | M60 D61 C62 A71 F74 L192 F268 L270 | M60-I194 HydrophobicContact CG-CD1 4.4Å; M60-I194 HydrophobicContact CG-CG1 3.97Å; M60-I194 HydrophobicContact SD-CG1 4.36Å; D61-I194 PolarHBondContact O-N 3.35Å; C62-I194 HydrophobicContact CB-CB 4.48Å; C62-I194 VanDerWaalsContact SG-CB 3.59Å; A71-I194 HydrophobicContact CB-CB 4.22Å; A71-I194 HydrophobicContact CB-CG2 3.87Å; A71-I194 VanDerWaalsContact CB-O 3.29Å; A71-I194 WeakPolarHBondContact CB-O 3.46Å; F74-I194 HydrophobicContact CD1-CB 4.43Å; F74-I194 HydrophobicContact CD1-CD1 4.39Å; F74-I194 HydrophobicContact CD1-CG1 4Å; F74-I194 HydrophobicContact CD1-CG2 3.81Å; F74-I194 HydrophobicContact CE1-CD1 4.02Å; F74-I194 HydrophobicContact CE1-CG1 4.04Å; F74-I194 HydrophobicContact CE1-CG2 4.44Å; L192-I194 HydrophobicContact CB-CD1 4.29Å; I194-F268 HydrophobicContact CD1-CB 3.78Å; I194-F268 HydrophobicContact CD1-CD2 3.68Å; I194-F268 HydrophobicContact CD1-CE2 4.44Å; I194-F268 HydrophobicContact CD1-CG 3.75Å; I194-F268 HydrophobicContact CG2-CB 4.24Å; I194-L270 HydrophobicContact CG2-CD1 3.64Å; I194-L270 HydrophobicContact CG2-CD2 4.38Å; I194-L270 HydrophobicContact CG2-CG 3.9Å |
| 195 | H | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 175.3 | -176 | -71.6 | -95.4 | 0 | 0 | 0 | 111 | I64 H65 E68 N142 T193 T267 F268 E269 L270 | I64-H195 WeakPolarHBondContact CG2-CE1 3.22Å; I64-H195 WeakPolarHBondContact CG2-NE2 3.38Å; H65-H195 AromaticContact CE1-CE1 3.18Å; H65-H195 PolarHBondContact CE1-CE1 3.05Å; H65-H195 AromaticContact CE1-ND1 3.3Å; H65-H195 PolarHBondContact CE1-ND1 3.33Å; H65-H195 VanDerWaalsContact CE1-ND1 3.3Å; H65-H195 AromaticContact ND1-CE1 3.44Å; H65-H195 PolarHBondContact ND1-CE1 3.48Å; H65-H195 AromaticContact ND1-ND1 3.13Å; H65-H195 PolarHBondContact ND1-ND1 3.39Å; H65-H195 VanDerWaalsContact ND1-ND1 3.13Å; H65-H195 AromaticContact NE2-CE1 3.93Å; E68-H195 VanDerWaalsContact OE2-CA 3.22Å; E68-H195 WeakPolarHBondContact OE2-CA 3.44Å; E68-H195 VanDerWaalsContact OE2-CB 3.26Å; E68-H195 WeakPolarHBondContact OE2-CB 3.49Å; E68-H195 IonicContact OE2-CG 3.84Å; E68-H195 IonicContact OE2-ND1 3.33Å; E68-H195 PolarHBondContact OE2-ND1 2.94Å; N142-H195 PolarHBondContact ND2-CE1 3.44Å; N142-H195 PolarHBondContact ND2-NE2 3.28Å; T193-H195 PolarHBondContact OG1-NE2 3.26Å; H195-T267 HydrophobicContact CB-CG2 4.36Å; H195-F268 CarbonylContact C-O 3.48Å; H195-F268 VanDerWaalsContact CA-O 3.27Å; H195-F268 WeakPolarHBondContact CA-O 3.31Å; H195-F268 VanDerWaalsContact CB-O 3.25Å; H195-F268 WeakPolarHBondContact CB-O 3.41Å; H195-F268 PolarHBondContact N-O 2.59Å; H195-F268 VanDerWaalsContact O-O 3.08Å; H195-E269 VanDerWaalsContact CB-OE2 3.25Å; H195-E269 WeakPolarHBondContact CB-OE2 3.45Å; H195-L270 WeakPolarHBondContact O-CB 3.02Å; H195-L270 WeakPolarHBondContact O-CG 3.5Å; H195-L270 PolarHBondContact O-N 3.46Å |
| 196 | S | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.014 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 155.5 | 161.4 | 56.9 | 0 | 0 | 0 | 0 | 108.7 | E68 I70 E269 F278 | E68-S196 VanDerWaalsContact CB-OG 3.27Å; E68-S196 WeakPolarHBondContact CB-OG 3.14Å; E68-S196 WeakPolarHBondContact CG-O 3.3Å; E68-S196 WeakPolarHBondContact CG-OG 3.49Å; E68-S196 PolarHBondContact OE2-N 3.3Å; I70-S196 WeakPolarHBondContact CG2-OG 3.33Å; S196-E269 WeakPolarHBondContact CA-OE2 3.5Å; S196-E269 PolarHBondContact N-OE2 3.36Å; S196-F278 VanDerWaalsContact O-CE1 3.25Å; S196-F278 WeakPolarHBondContact O-CE1 3.2Å |
| 197 | Y | 98.6 | Very high | 98.5 | Very high | 87 Ų | 87 | 10.4 Ų | 10.4 | 34% | 0.341 | 5% | 0.05 | S | C | . | . | S | Bend | cis | -128.1 | 169.7 | 3.9 | 62.5 | -89.5 | 0 | 0 | 0 | 109.7 | L270 D272 G277 F278 | Y197-L270 WeakPolarHBondContact CA-O 3.21Å; Y197-D272 WeakPolarHBondContact CB-O 3.46Å; Y197-D272 WeakPolarHBondContact CD2-O 3.17Å; Y197-G277 VanDerWaalsContact CD1-C 3.46Å; Y197-G277 VanDerWaalsContact CE1-CA 3.42Å; Y197-F278 AromaticContact CD1-CD1 3.7Å; Y197-F278 HydrophobicContact CD1-CD1 3.7Å; Y197-F278 HydrophobicContact CD1-CD2 4.46Å; Y197-F278 AromaticContact CD1-CE1 3.5Å; Y197-F278 HydrophobicContact CD1-CE1 3.5Å; Y197-F278 HydrophobicContact CD1-CE2 4.28Å; Y197-F278 HydrophobicContact CD1-CG 4.19Å; Y197-F278 AromaticContact CD1-CZ 3.79Å; Y197-F278 HydrophobicContact CD1-CZ 3.79Å; Y197-F278 HydrophobicContact CE1-CD1 4.08Å; Y197-F278 HydrophobicContact CE1-CD2 4.06Å; Y197-F278 AromaticContact CE1-CE1 3.73Å; Y197-F278 HydrophobicContact CE1-CE1 3.73Å; Y197-F278 AromaticContact CE1-CE2 3.67Å; Y197-F278 HydrophobicContact CE1-CE2 3.67Å; Y197-F278 HydrophobicContact CE1-CG 4.24Å; Y197-F278 AromaticContact CE1-CZ 3.49Å; Y197-F278 HydrophobicContact CE1-CZ 3.49Å; Y197-F278 VanDerWaalsContact CE1-CZ 3.49Å |
| 198 | G | 97.9 | Very high | 98.4 | Very high | 15 Ų | 15 | 12.3 Ų | 12.3 | 16% | 0.155 | 6% | 0.064 | C | C | . | . | S | Bend | trans | 147.4 | -2.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L200 L270 D272 N273 | G198-L200 WeakPolarHBondContact O-CD2 3.48Å; G198-L200 WeakPolarHBondContact O-CG 3.33Å; G198-L270 PolarHBondContact N-O 2.87Å; G198-L270 VanDerWaalsContact N-O 3.08Å; G198-D272 VanDerWaalsContact CA-O 3.3Å; G198-D272 WeakPolarHBondContact CA-O 3.25Å; G198-D272 PolarHBondContact N-O 3.06Å; G198-N273 VanDerWaalsContact C-OD1 3.24Å; G198-N273 PolarHBondContact O-OD1 2.74Å; G198-N273 VanDerWaalsContact O-OD1 3.06Å |
| 199 | Q | 98.8 | Very high | 98.3 | Very high | 14 Ų | 14 | 18.5 Ų | 18.5 | 7% | 0.065 | 10% | 0.098 | C | C | . | . | S | Bend | trans | 51 | 60.1 | -176.1 | -57.9 | -178.8 | 170.9 | 0 | 0 | 111.5 | K236 Y237 R238 E269 L270 N273 | Q199-K236 PolarHBondContact NE2-O 2.86Å; Q199-Y237 HydrophobicContact CB-CD1 4.24Å; Q199-Y237 HydrophobicContact CB-CD2 3.78Å; Q199-Y237 HydrophobicContact CB-CE1 4.22Å; Q199-Y237 HydrophobicContact CB-CE2 3.75Å; Q199-Y237 HydrophobicContact CB-CG 4.02Å; Q199-Y237 HydrophobicContact CG-CD2 4.33Å; Q199-Y237 HydrophobicContact CG-CE2 3.85Å; Q199-Y237 CarbonylContact O-C 2.95Å; Q199-Y237 WeakPolarHBondContact O-CA 3.4Å; Q199-R238 PolarHBondContact O-N 3.42Å; Q199-E269 CarbonylContact C-O 3.58Å; Q199-E269 WeakPolarHBondContact CA-O 3.43Å; Q199-E269 PolarHBondContact N-O 2.75Å; Q199-L270 PolarHBondContact N-O 3.37Å; Q199-N273 WeakPolarHBondContact CB-OD1 3.44Å; Q199-N273 WeakPolarHBondContact CG-OD1 3.36Å; Q199-N273 PolarHBondContact NE2-ND2 3.41Å; Q199-N273 VanDerWaalsContact NE2-ND2 3.11Å |
| 200 | L | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.01 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 147.3 | -177.8 | -49.4 | 172.8 | 0 | 0 | 0 | 111.1 | G198 L202 R238 L246 E269 | G198-L200 WeakPolarHBondContact O-CD2 3.48Å; G198-L200 WeakPolarHBondContact O-CG 3.33Å; L200-L202 HydrophobicContact CB-CD2 3.72Å; L200-L202 HydrophobicContact CB-CG 4.15Å; L200-L202 HydrophobicContact CD1-CD2 3.92Å; L200-L202 HydrophobicContact CG-CD2 4.38Å; L200-R238 CarbonylContact C-O 3.57Å; L200-R238 WeakPolarHBondContact CA-O 3.41Å; L200-R238 HydrophobicContact CD2-CB 3.79Å; L200-L246 HydrophobicContact CD1-CB 3.96Å; L200-L246 HydrophobicContact CD1-CD1 3.98Å; L200-L246 HydrophobicContact CD1-CD2 4.21Å; L200-L246 HydrophobicContact CD1-CG 4.25Å; L200-E269 HydrophobicContact CB-CB 3.89Å; L200-E269 HydrophobicContact CB-CG 4.08Å; L200-E269 HydrophobicContact CD1-CG 4.28Å; L200-E269 HydrophobicContact CG-CB 4.24Å; L200-E269 HydrophobicContact CG-CG 4.47Å; L200-E269 PolarHBondContact N-O 3.06Å; L200-E269 PolarHBondContact O-N 3.41Å |
| 201 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 101.4 | 161.1 | -61.5 | 178.3 | 0 | 0 | 0 | 107.2 | G222 A225 A226 I229 Y237 R238 V239 G240 T267 F268 | L201-G222 VanDerWaalsContact CD1-O 3.31Å; L201-G222 WeakPolarHBondContact CD1-O 3.46Å; L201-A225 HydrophobicContact CD1-CB 3.73Å; L201-A226 HydrophobicContact CD1-CB 4.1Å; L201-I229 HydrophobicContact CD1-CD1 4.33Å; L201-I229 HydrophobicContact CD2-CD1 4.46Å; L201-Y237 HydrophobicContact CD2-CD1 4.31Å; L201-Y237 HydrophobicContact CG-CD1 4.22Å; L201-R238 PolarHBondContact N-O 3.39Å; L201-V239 HydrophobicContact CB-CG1 4.41Å; L201-V239 HydrophobicContact CB-CG2 4.22Å; L201-V239 HydrophobicContact CD1-CG2 4.32Å; L201-V239 WeakPolarHBondContact O-CA 3.35Å; L201-G240 PolarHBondContact O-N 3.21Å; L201-T267 CarbonylContact C-O 3.56Å; L201-T267 WeakPolarHBondContact CA-O 3.3Å; L201-F268 HydrophobicContact CD2-CB 4.44Å; L201-F268 HydrophobicContact CD2-CD1 3.36Å; L201-F268 HydrophobicContact CD2-CD2 3.93Å; L201-F268 HydrophobicContact CD2-CE1 3.38Å; L201-F268 HydrophobicContact CD2-CE2 3.92Å; L201-F268 HydrophobicContact CD2-CG 3.65Å; L201-F268 HydrophobicContact CD2-CZ 3.65Å |
| 202 | L | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 131.6 | -177.8 | -44.9 | 172.5 | 0 | 0 | 0 | 110.1 | L200 G240 V245 L246 R254 F266 T267 E269 | L200-L202 HydrophobicContact CB-CD2 3.72Å; L200-L202 HydrophobicContact CB-CG 4.15Å; L200-L202 HydrophobicContact CD1-CD2 3.92Å; L200-L202 HydrophobicContact CG-CD2 4.38Å; L202-G240 VanDerWaalsContact CA-O 3.29Å; L202-G240 WeakPolarHBondContact CA-O 3.4Å; L202-V245 HydrophobicContact CD2-CG2 3.49Å; L202-V245 VanDerWaalsContact CD2-CG2 3.49Å; L202-L246 HydrophobicContact CD1-CD2 3.76Å; L202-L246 HydrophobicContact CD2-CB 4.3Å; L202-R254 VanDerWaalsContact O-CD 3.22Å; L202-R254 WeakPolarHBondContact O-CD 3.01Å; L202-F266 WeakPolarHBondContact O-CA 3.36Å; L202-T267 HydrophobicContact CD1-CG2 4.09Å; L202-T267 PolarHBondContact N-O 3.18Å; L202-T267 PolarHBondContact O-N 3.44Å; L202-E269 HydrophobicContact CD1-CG 4.13Å |
| 203 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 161.2 | 172.7 | 61.3 | 163.3 | 0 | 0 | 0 | 110.5 | Y215 L218 M219 G240 T241 F266 | I203-Y215 HydrophobicContact CD1-CD2 3.71Å; I203-Y215 HydrophobicContact CD1-CE2 3.54Å; I203-L218 HydrophobicContact CB-CB 4.14Å; I203-L218 HydrophobicContact CD1-CB 3.96Å; I203-L218 HydrophobicContact CG2-CB 3.93Å; I203-M219 HydrophobicContact CD1-CG 3.63Å; I203-M219 HydrophobicContact CD1-SD 3.44Å; I203-M219 WeakPolarHBondContact CD1-SD 3.16Å; I203-M219 HydrophobicContact CG1-SD 4.25Å; I203-G240 PolarHBondContact N-O 2.97Å; I203-T241 HydrophobicContact CG1-CG2 4.25Å; I203-T241 WeakPolarHBondContact O-CA 3.4Å; I203-F266 HydrophobicContact CG2-CD1 3.59Å; I203-F266 HydrophobicContact CG2-CE1 3.31Å; I203-F266 HydrophobicContact CG2-CZ 4.15Å |
| 204 | P | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -64.6 | 153.3 | 173.5 | -17.9 | 27.6 | 0 | 0 | 0 | 113.3 | A212 R254 R258 T265 | P204-A212 HydrophobicContact CB-CB 4.4Å; P204-R254 HydrophobicContact CG-CG 4.08Å; P204-R258 HydrophobicContact CB-CB 4.05Å; P204-R258 HydrophobicContact CB-CG 4Å; P204-R258 HydrophobicContact CG-CB 3.63Å; P204-R258 HydrophobicContact CG-CG 3.81Å; P204-T265 WeakPolarHBondContact CD-O 3.48Å; P204-T265 WeakPolarHBondContact CG-OG1 3.41Å |
| 205 | Y | 98.6 | Very high | 98 | Very high | 28 Ų | 28 | 37.4 Ų | 37.4 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | cis | -101.1 | 158.6 | -3.5 | -72.2 | -82.1 | 0 | 0 | 0 | 112 | H207 F210 A212 P243 D255 R258 M259 | Y205-H207 VanDerWaalsContact C-N 3.31Å; Y205-F210 HydrophobicContact CD2-CB 3.66Å; Y205-F210 HydrophobicContact CE2-CB 4.35Å; Y205-F210 HydrophobicContact CG-CB 3.81Å; Y205-A212 HydrophobicContact CD2-CB 4.48Å; Y205-A212 HydrophobicContact CE2-CB 4.15Å; Y205-P243 VanDerWaalsContact O-CD 3.3Å; Y205-P243 WeakPolarHBondContact O-CD 3.17Å; Y205-D255 WeakPolarHBondContact CA-OD1 3.25Å; Y205-D255 HydrophobicContact CD1-CB 3.82Å; Y205-D255 HydrophobicContact CE1-CB 4.29Å; Y205-R258 HydrophobicContact CE1-CB 4.2Å; Y205-R258 HydrophobicContact CE1-CG 4.2Å; Y205-R258 WeakPolarHBondContact OH-CG 3.34Å; Y205-M259 HydrophobicContact CE1-CG 3.91Å | ||
| 206 | G | 97.7 | Very high | 98 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -71.9 | -25.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113 | P243 A248 N249 D255 | G206-P243 WeakPolarHBondContact O-CD 3.46Å; G206-P243 WeakPolarHBondContact O-CG 3.36Å; G206-A248 CarbonylContact O-C 3.57Å; G206-A248 WeakPolarHBondContact O-CA 3.29Å; G206-N249 CarbonylContact C-O 3.31Å; G206-N249 PolarHBondContact O-N 2.69Å; G206-N249 VanDerWaalsContact O-O 3.06Å; G206-D255 VanDerWaalsContact CA-OD2 3.3Å; G206-D255 WeakPolarHBondContact CA-OD2 3.48Å; G206-D255 VanDerWaalsContact N-CG 3.32Å; G206-D255 PolarHBondContact N-OD1 3.35Å; G206-D255 PolarHBondContact N-OD2 3.49Å |
| 207 | H | 96.8 | Very high | 98 | Very high | 18 Ų | 18 | 45.2 Ų | 45.2 | 8% | 0.083 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -90 | 129.9 | 178.4 | -171 | -64.9 | 0 | 0 | 0 | 110.5 | I151 V152 Y205 D209 F210 N249 | I151-H207 WeakPolarHBondContact CG2-NE2 3.02Å; V152-H207 HydrophobicContact CG1-CB 4.31Å; Y205-H207 VanDerWaalsContact C-N 3.31Å; H207-D209 VanDerWaalsContact C-N 3.29Å; H207-D209 IonicContact CE1-OD2 3.43Å; H207-D209 PolarHBondContact CE1-OD2 2.71Å; H207-D209 PolarHBondContact ND1-N 3.33Å; H207-D209 PolarHBondContact O-N 3.36Å; H207-F210 HydrophobicContact CB-CD2 3.72Å; H207-F210 HydrophobicContact CB-CE2 4.31Å; H207-F210 AromaticContact CE1-CE2 3.94Å; H207-F210 AromaticContact CG-CD2 3.58Å; H207-F210 AromaticContact CG-CE2 3.78Å; H207-F210 AromaticContact ND1-CD2 3.37Å; H207-F210 WeakPolarHBondContact ND1-CD2 3.43Å; H207-F210 AromaticContact ND1-CE2 3.55Å; H207-F210 PolarHBondContact O-N 3.3Å; H207-N249 PolarHBondContact N-O 3.39Å |
| 208 | P | 95.6 | Very high | 98 | Very high | 72 Ų | 72 | 41 Ų | 41 | 47% | 0.468 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -28.5 | -170 | 25.6 | -35.4 | 0 | 0 | 0 | 114.2 | F210 P243 | P208-F210 VanDerWaalsContact C-N 3.26Å; P208-F210 PolarHBondContact O-N 3.03Å; P208-P243 HydrophobicContact CB-CB 4.47Å; P208-P243 HydrophobicContact CB-CG 4.34Å |
| 209 | D | 96.4 | Very high | 98 | Very high | 134 Ų | 134 | 41.7 Ų | 41.7 | 72% | 0.717 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -0.3 | -178.6 | -57.9 | -20.7 | 0 | 0 | 0 | 114.2 | H207 | H207-D209 VanDerWaalsContact C-N 3.29Å; H207-D209 IonicContact CE1-OD2 3.43Å; H207-D209 PolarHBondContact CE1-OD2 2.71Å; H207-D209 PolarHBondContact ND1-N 3.33Å; H207-D209 PolarHBondContact O-N 3.36Å |
| 210 | F | 96.4 | Very high | 98 | Very high | 91 Ų | 91 | 47.5 Ų | 47.5 | 40% | 0.399 | 25% | 0.251 | S | S | . | . | trans | -119.6 | 142 | -178.7 | -62.1 | -87.3 | 0 | 0 | 0 | 111.5 | N148 Y205 H207 P208 | N148-F210 WeakPolarHBondContact OD1-CE2 3.43Å; N148-F210 WeakPolarHBondContact OD1-CZ 3.46Å; Y205-F210 HydrophobicContact CD2-CB 3.66Å; Y205-F210 HydrophobicContact CE2-CB 4.35Å; Y205-F210 HydrophobicContact CG-CB 3.81Å; H207-F210 HydrophobicContact CB-CD2 3.72Å; H207-F210 HydrophobicContact CB-CE2 4.31Å; H207-F210 AromaticContact CE1-CE2 3.94Å; H207-F210 AromaticContact CG-CD2 3.58Å; H207-F210 AromaticContact CG-CE2 3.78Å; H207-F210 AromaticContact ND1-CD2 3.37Å; H207-F210 WeakPolarHBondContact ND1-CD2 3.43Å; H207-F210 AromaticContact ND1-CE2 3.55Å; H207-F210 PolarHBondContact O-N 3.3Å; P208-F210 VanDerWaalsContact C-N 3.26Å; P208-F210 PolarHBondContact O-N 3.03Å | ||
| 211 | T | 96.9 | Very high | 98 | Very high | 100 Ų | 100 | 47.4 Ų | 47.4 | 61% | 0.613 | 25% | 0.251 | S | S | * | . | trans | -131.3 | 135.7 | 174.7 | -62.4 | 0 | 0 | 0 | 0 | 109.1 | Y215 | T211-Y215 HydrophobicContact CG2-CD2 4.15Å; T211-Y215 HydrophobicContact CG2-CG 4.08Å | ||
| 212 | A | 97.9 | Very high | 98 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 3% | 0.025 | 25% | 0.251 | C | S | . | . | trans | -64.1 | 137.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | P204 Y205 N214 Y215 L218 R258 | P204-A212 HydrophobicContact CB-CB 4.4Å; Y205-A212 HydrophobicContact CD2-CB 4.48Å; Y205-A212 HydrophobicContact CE2-CB 4.15Å; A212-N214 PolarHBondContact O-N 3.13Å; A212-N214 VanDerWaalsContact O-N 3.07Å; A212-Y215 VanDerWaalsContact O-CB 3.31Å; A212-Y215 WeakPolarHBondContact O-CB 3Å; A212-Y215 PolarHBondContact O-N 2.86Å; A212-L218 HydrophobicContact CB-CD1 3.68Å; A212-R258 HydrophobicContact CB-CG 4.43Å | ||
| 213 | S | 97.9 | Very high | 98 | Very high | 115 Ų | 115 | 52.7 Ų | 52.7 | 80% | 0.804 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -16.5 | 179.6 | 59.7 | 0 | 0 | 0 | 0 | 113.9 | R258 | S213-R258 PolarHBondContact OG-NH2 3.32Š|
| 214 | N | 98.2 | Very high | 98 | Very high | 26 Ų | 26 | 53.2 Ų | 53.2 | 14% | 0.139 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | 32.7 | 173.8 | 67.7 | -37.6 | 0 | 0 | 0 | 112.2 | A212 D216 E217 L218 R258 P263 | A212-N214 PolarHBondContact O-N 3.13Å; A212-N214 VanDerWaalsContact O-N 3.07Å; N214-D216 VanDerWaalsContact C-N 3.34Å; N214-D216 PolarHBondContact O-N 3.34Å; N214-E217 HydrophobicContact CB-CB 4.38Å; N214-E217 WeakPolarHBondContact O-CB 3.35Å; N214-E217 PolarHBondContact O-N 3.37Å; N214-E217 VanDerWaalsContact O-N 3.12Å; N214-L218 PolarHBondContact O-N 2.92Å; N214-L218 WeakPolarHBondContact OD1-CD1 3.38Å; N214-R258 VanDerWaalsContact OD1-CZ 3.32Å; N214-R258 PolarHBondContact OD1-NE 2.76Å; N214-R258 PolarHBondContact OD1-NH2 3.28Å; N214-P263 PolarHBondContact ND2-O 3.29Å |
| 215 | Y | 98.6 | Very high | 98.1 | Very high | 76 Ų | 76 | 53.2 Ų | 53.2 | 30% | 0.298 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -49.2 | -49.1 | -179.1 | 175.6 | -95.4 | 0 | 0 | 0 | 113.4 | I203 T211 A212 E217 L218 M219 T241 | I203-Y215 HydrophobicContact CD1-CD2 3.71Å; I203-Y215 HydrophobicContact CD1-CE2 3.54Å; T211-Y215 HydrophobicContact CG2-CD2 4.15Å; T211-Y215 HydrophobicContact CG2-CG 4.08Å; A212-Y215 VanDerWaalsContact O-CB 3.31Å; A212-Y215 WeakPolarHBondContact O-CB 3Å; A212-Y215 PolarHBondContact O-N 2.86Å; Y215-E217 VanDerWaalsContact C-N 3.27Å; Y215-E217 PolarHBondContact O-N 3.42Å; Y215-L218 WeakPolarHBondContact O-CB 3.25Å; Y215-L218 PolarHBondContact O-N 3Å; Y215-L218 VanDerWaalsContact O-N 3.15Å; Y215-M219 HydrophobicContact CD1-CG 4.18Å; Y215-M219 HydrophobicContact CD2-CG 4.45Å; Y215-M219 HydrophobicContact CE1-CG 3.64Å; Y215-M219 HydrophobicContact CE2-CG 3.93Å; Y215-M219 HydrophobicContact CE2-SD 4.34Å; Y215-M219 VanDerWaalsContact CZ-CG 3.49Å; Y215-M219 PolarHBondContact O-N 3.33Å; Y215-T241 HydrophobicContact CD2-CG2 4.34Å; Y215-T241 HydrophobicContact CE2-CG2 3.73Å |
| 216 | D | 98.7 | Very high | 98.1 | Very high | 130 Ų | 130 | 52.4 Ų | 52.4 | 70% | 0.695 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.3 | -35.6 | -178 | -64.5 | -24.4 | 0 | 0 | 0 | 112.4 | N214 K220 | N214-D216 VanDerWaalsContact C-N 3.34Å; N214-D216 PolarHBondContact O-N 3.34Å; D216-K220 VanDerWaalsContact O-CB 3.3Å; D216-K220 WeakPolarHBondContact O-CB 3.22Å; D216-K220 PolarHBondContact O-N 2.86Å |
| 217 | E | 98.8 | Very high | 98.1 | Very high | 36 Ų | 36 | 57.2 Ų | 57.2 | 17% | 0.168 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.7 | -45.5 | 175.2 | 177.1 | 172 | -144.4 | 0 | 0 | 111.2 | N214 Y215 M219 K220 V221 L264 Y302 K306 | N214-E217 HydrophobicContact CB-CB 4.38Å; N214-E217 WeakPolarHBondContact O-CB 3.35Å; N214-E217 PolarHBondContact O-N 3.37Å; N214-E217 VanDerWaalsContact O-N 3.12Å; Y215-E217 VanDerWaalsContact C-N 3.27Å; Y215-E217 PolarHBondContact O-N 3.42Å; E217-M219 VanDerWaalsContact C-N 3.33Å; E217-M219 PolarHBondContact O-N 2.82Å; E217-K220 PolarHBondContact O-N 2.9Å; E217-V221 HydrophobicContact CG-CG2 4.29Å; E217-V221 WeakPolarHBondContact O-CB 3.26Å; E217-V221 VanDerWaalsContact O-CG2 3.27Å; E217-V221 WeakPolarHBondContact O-CG2 3.41Å; E217-V221 PolarHBondContact O-N 3.09Å; E217-L264 HydrophobicContact CG-CD2 4.32Å; E217-Y302 HydrophobicContact CG-CE1 4.31Å; E217-Y302 WeakPolarHBondContact OE1-CE1 3.4Å; E217-Y302 PolarHBondContact OE1-OH 2.93Å; E217-K306 WeakPolarHBondContact OE1-CD 3.28Å; E217-K306 WeakPolarHBondContact OE1-CE 3.47Å; E217-K306 IonicContact OE1-NZ 3.97Å; E217-K306 PolarHBondContact OE1-NZ 2.93Å; E217-K306 IonicContact OE2-NZ 3.81Å; E217-K306 PolarHBondContact OE2-NZ 3.05Å |
| 218 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 177.1 | -72.1 | 162.5 | 0 | 0 | 0 | 111.5 | I203 A212 N214 Y215 G222 L264 F266 | I203-L218 HydrophobicContact CB-CB 4.14Å; I203-L218 HydrophobicContact CD1-CB 3.96Å; I203-L218 HydrophobicContact CG2-CB 3.93Å; A212-L218 HydrophobicContact CB-CD1 3.68Å; N214-L218 PolarHBondContact O-N 2.92Å; N214-L218 WeakPolarHBondContact OD1-CD1 3.38Å; Y215-L218 WeakPolarHBondContact O-CB 3.25Å; Y215-L218 PolarHBondContact O-N 3Å; Y215-L218 VanDerWaalsContact O-N 3.15Å; L218-G222 PolarHBondContact O-N 2.84Å; L218-L264 HydrophobicContact CD2-CD2 4.26Å; L218-F266 HydrophobicContact CD2-CE2 3.9Å; L218-F266 HydrophobicContact CD2-CZ 3.93Å; L218-F266 WeakPolarHBondContact O-CE1 3.29Å; L218-F266 WeakPolarHBondContact O-CZ 3.33Å |
| 219 | M | 98.8 | Very high | 98.4 | Very high | 28 Ų | 28 | 53.6 Ų | 53.6 | 14% | 0.138 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.5 | -51.4 | 174.4 | -78 | -58.8 | -60.3 | 0 | 0 | 111.4 | I203 Y215 E217 V221 G222 E223 V239 | I203-M219 HydrophobicContact CD1-CG 3.63Å; I203-M219 HydrophobicContact CD1-SD 3.44Å; I203-M219 WeakPolarHBondContact CD1-SD 3.16Å; I203-M219 HydrophobicContact CG1-SD 4.25Å; Y215-M219 HydrophobicContact CD1-CG 4.18Å; Y215-M219 HydrophobicContact CD2-CG 4.45Å; Y215-M219 HydrophobicContact CE1-CG 3.64Å; Y215-M219 HydrophobicContact CE2-CG 3.93Å; Y215-M219 HydrophobicContact CE2-SD 4.34Å; Y215-M219 VanDerWaalsContact CZ-CG 3.49Å; Y215-M219 PolarHBondContact O-N 3.33Å; E217-M219 VanDerWaalsContact C-N 3.33Å; E217-M219 PolarHBondContact O-N 2.82Å; M219-V221 VanDerWaalsContact C-N 3.35Å; M219-V221 PolarHBondContact O-N 2.9Å; M219-G222 PolarHBondContact O-N 2.61Å; M219-E223 WeakPolarHBondContact O-CB 3.48Å; M219-E223 WeakPolarHBondContact O-CG 3.39Å; M219-E223 PolarHBondContact O-N 3.31Å; M219-V239 HydrophobicContact CE-CB 4.38Å; M219-V239 HydrophobicContact CE-CG1 4.24Å; M219-V239 HydrophobicContact SD-CG1 4.09Å |
| 220 | K | 98.8 | Very high | 98.5 | Very high | 136 Ų | 136 | 53.4 Ų | 53.4 | 59% | 0.591 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -56.4 | -47.2 | 179.5 | 176.6 | -178.5 | 175.8 | 178.6 | 0 | 112.4 | D216 E217 G224 | D216-K220 VanDerWaalsContact O-CB 3.3Å; D216-K220 WeakPolarHBondContact O-CB 3.22Å; D216-K220 PolarHBondContact O-N 2.86Å; E217-K220 PolarHBondContact O-N 2.9Å; K220-G224 PolarHBondContact O-N 3.14Å; K220-G224 VanDerWaalsContact O-N 3.1Å |
| 221 | V | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.9 | -39.3 | -179.1 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | E217 M219 G224 A225 L264 F266 I299 Y302 | E217-V221 HydrophobicContact CG-CG2 4.29Å; E217-V221 WeakPolarHBondContact O-CB 3.26Å; E217-V221 VanDerWaalsContact O-CG2 3.27Å; E217-V221 WeakPolarHBondContact O-CG2 3.41Å; E217-V221 PolarHBondContact O-N 3.09Å; M219-V221 VanDerWaalsContact C-N 3.35Å; M219-V221 PolarHBondContact O-N 2.9Å; V221-G224 PolarHBondContact O-N 3.4Å; V221-A225 PolarHBondContact O-N 3.35Å; V221-L264 HydrophobicContact CG2-CD2 4.39Å; V221-F266 HydrophobicContact CB-CZ 4.18Å; V221-F266 HydrophobicContact CG1-CE2 4.29Å; V221-F266 HydrophobicContact CG1-CZ 4.07Å; V221-I299 HydrophobicContact CG1-CB 4.2Å; V221-I299 HydrophobicContact CG1-CG1 3.97Å; V221-I299 HydrophobicContact CG1-CG2 4.02Å; V221-Y302 HydrophobicContact CG1-CD1 4.31Å; V221-Y302 HydrophobicContact CG1-CG 4.43Å; V221-Y302 HydrophobicContact CG2-CD1 3.41Å; V221-Y302 VanDerWaalsContact CG2-CD1 3.41Å; V221-Y302 HydrophobicContact CG2-CD2 4.03Å; V221-Y302 HydrophobicContact CG2-CE1 3.39Å; V221-Y302 HydrophobicContact CG2-CE2 4.01Å; V221-Y302 HydrophobicContact CG2-CG 3.75Å |
| 222 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L201 L218 M219 A225 A226 V239 | L201-G222 VanDerWaalsContact CD1-O 3.31Å; L201-G222 WeakPolarHBondContact CD1-O 3.46Å; L218-G222 PolarHBondContact O-N 2.84Å; M219-G222 PolarHBondContact O-N 2.61Å; G222-A225 WeakPolarHBondContact O-CB 3.23Å; G222-A225 PolarHBondContact O-N 3.17Å; G222-A226 PolarHBondContact O-N 2.86Å; G222-V239 WeakPolarHBondContact O-CG2 3.44Å |
| 223 | E | 98.9 | Very high | 98.7 | Very high | 112 Ų | 112 | 57.4 Ų | 57.4 | 52% | 0.523 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 175.8 | -74.8 | 175.8 | 173.3 | 0 | 0 | 111.7 | M219 A225 A226 E227 V239 | M219-E223 WeakPolarHBondContact O-CB 3.48Å; M219-E223 WeakPolarHBondContact O-CG 3.39Å; M219-E223 PolarHBondContact O-N 3.31Å; E223-A225 VanDerWaalsContact C-N 3.32Å; E223-A225 PolarHBondContact O-N 2.91Å; E223-A226 PolarHBondContact O-N 3.07Å; E223-E227 PolarHBondContact O-N 3.42Å; E223-V239 HydrophobicContact CG-CB 4.39Å; E223-V239 HydrophobicContact CG-CG2 4.33Å |
| 224 | G | 98.9 | Very high | 98.7 | Very high | 12 Ų | 12 | 53.7 Ų | 53.7 | 12% | 0.124 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62 | -38.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | K220 V221 E227 A228 H298 | K220-G224 PolarHBondContact O-N 3.14Å; K220-G224 VanDerWaalsContact O-N 3.1Å; V221-G224 PolarHBondContact O-N 3.4Å; G224-E227 PolarHBondContact O-N 3.35Å; G224-A228 WeakPolarHBondContact O-CB 3.31Å; G224-A228 PolarHBondContact O-N 3.36Å; G224-H298 WeakPolarHBondContact CA-NE2 3.26Å |
| 225 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.2 | -40.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | L201 V221 G222 E223 E227 A228 I229 G295 H298 I299 | L201-A225 HydrophobicContact CD1-CB 3.73Å; V221-A225 PolarHBondContact O-N 3.35Å; G222-A225 WeakPolarHBondContact O-CB 3.23Å; G222-A225 PolarHBondContact O-N 3.17Å; E223-A225 VanDerWaalsContact C-N 3.32Å; E223-A225 PolarHBondContact O-N 2.91Å; A225-E227 VanDerWaalsContact C-N 3.33Å; A225-A228 WeakPolarHBondContact O-CB 3.36Å; A225-A228 PolarHBondContact O-N 3.29Å; A225-I229 WeakPolarHBondContact O-CG1 3.42Å; A225-I229 PolarHBondContact O-N 3.17Å; A225-G295 WeakPolarHBondContact CB-O 3.29Å; A225-H298 HydrophobicContact CB-CB 4.39Å; A225-H298 PolarHBondContact N-CD2 2.93Å; A225-I299 HydrophobicContact CB-CD1 4Å; A225-I299 HydrophobicContact CB-CG1 3.73Å |
| 226 | A | 98.9 | Very high | 98.7 | Very high | 11 Ų | 11 | 59.9 Ų | 59.9 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | L201 G222 E223 I229 W230 V239 | L201-A226 HydrophobicContact CD1-CB 4.1Å; G222-A226 PolarHBondContact O-N 2.86Å; E223-A226 PolarHBondContact O-N 3.07Å; A226-I229 PolarHBondContact O-N 3Å; A226-W230 WeakPolarHBondContact O-CB 3.48Å; A226-W230 PolarHBondContact O-N 3.25Å; A226-V239 HydrophobicContact CB-CG2 3.72Å |
| 227 | E | 98.9 | Very high | 98.7 | Very high | 100 Ų | 100 | 54.4 Ų | 54.4 | 47% | 0.467 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65 | -42.2 | 172.8 | -167.9 | -168.4 | 168.2 | 0 | 0 | 111.4 | E223 G224 A225 I229 W230 K231 | E223-E227 PolarHBondContact O-N 3.42Å; G224-E227 PolarHBondContact O-N 3.35Å; A225-E227 VanDerWaalsContact C-N 3.33Å; E227-I229 VanDerWaalsContact C-N 3.35Å; E227-I229 PolarHBondContact O-N 3.37Å; E227-W230 PolarHBondContact O-N 2.96Å; E227-K231 VanDerWaalsContact CD-NZ 3.33Å; E227-K231 WeakPolarHBondContact O-CG 3.4Å; E227-K231 PolarHBondContact O-N 3.19Å; E227-K231 WeakPolarHBondContact OE1-CE 3.39Å; E227-K231 IonicContact OE1-NZ 2.74Å; E227-K231 PolarHBondContact OE1-NZ 2.9Å; E227-K231 IonicContact OE2-NZ 3.35Å |
| 228 | A | 98.9 | Very high | 98.7 | Very high | 15 Ų | 15 | 59.3 Ų | 59.3 | 12% | 0.124 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G224 A225 V232 S294 H298 | G224-A228 WeakPolarHBondContact O-CB 3.31Å; G224-A228 PolarHBondContact O-N 3.36Å; A225-A228 WeakPolarHBondContact O-CB 3.36Å; A225-A228 PolarHBondContact O-N 3.29Å; A228-V232 WeakPolarHBondContact O-CG2 3.42Å; A228-S294 PolarHBondContact O-OG 3.47Å; A228-S294 VanDerWaalsContact O-OG 3.06Å; A228-H298 HydrophobicContact CB-CB 4.18Å |
| 229 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.4 | -50.8 | 171.6 | -72.7 | 160.3 | 0 | 0 | 0 | 110.7 | L201 A225 A226 E227 K231 V232 K235 Y237 F268 E291 | L201-I229 HydrophobicContact CD1-CD1 4.33Å; L201-I229 HydrophobicContact CD2-CD1 4.46Å; A225-I229 WeakPolarHBondContact O-CG1 3.42Å; A225-I229 PolarHBondContact O-N 3.17Å; A226-I229 PolarHBondContact O-N 3Å; E227-I229 VanDerWaalsContact C-N 3.35Å; E227-I229 PolarHBondContact O-N 3.37Å; I229-K231 PolarHBondContact O-N 2.92Å; I229-V232 PolarHBondContact O-N 3.02Å; I229-V232 VanDerWaalsContact O-N 3.1Å; I229-K235 HydrophobicContact CG2-CB 4.5Å; I229-Y237 HydrophobicContact CB-CD2 4.48Å; I229-Y237 HydrophobicContact CD1-CD1 3.97Å; I229-Y237 HydrophobicContact CD1-CD2 4.26Å; I229-Y237 HydrophobicContact CD1-CE1 4.24Å; I229-Y237 HydrophobicContact CD1-CG 3.99Å; I229-Y237 HydrophobicContact CG2-CD2 3.51Å; I229-Y237 HydrophobicContact CG2-CE2 3.61Å; I229-Y237 HydrophobicContact CG2-CG 4.28Å; I229-F268 HydrophobicContact CD1-CE1 4.47Å; I229-E291 VanDerWaalsContact CG1-O 3.28Å; I229-E291 WeakPolarHBondContact CG1-O 3.41Å; I229-E291 HydrophobicContact CG2-CB 3.98Å; I229-E291 HydrophobicContact CG2-CG 4.25Å |
| 230 | W | 98.8 | Very high | 98.7 | Very high | 129 Ų | 129 | 59.3 Ų | 59.3 | 49% | 0.489 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.1 | -35.9 | -177.8 | 176.2 | 78.3 | 0 | 0 | 0 | 112.6 | A226 E227 V232 G234 K235 | A226-W230 WeakPolarHBondContact O-CB 3.48Å; A226-W230 PolarHBondContact O-N 3.25Å; E227-W230 PolarHBondContact O-N 2.96Å; W230-V232 PolarHBondContact O-N 3.22Å; W230-G234 WeakPolarHBondContact O-CA 3.48Å; W230-G234 PolarHBondContact O-N 3.29Å; W230-K235 WeakPolarHBondContact CA-O 3.49Å |
| 231 | K | 98.8 | Very high | 98.7 | Very high | 133 Ų | 133 | 53.9 Ų | 53.9 | 58% | 0.578 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -66.3 | -19.2 | 178.8 | -76.1 | 172.4 | -179 | 163.7 | 0 | 114.5 | E227 I229 | E227-K231 VanDerWaalsContact CD-NZ 3.33Å; E227-K231 WeakPolarHBondContact O-CG 3.4Å; E227-K231 PolarHBondContact O-N 3.19Å; E227-K231 WeakPolarHBondContact OE1-CE 3.39Å; E227-K231 IonicContact OE1-NZ 2.74Å; E227-K231 PolarHBondContact OE1-NZ 2.9Å; E227-K231 IonicContact OE2-NZ 3.35Å; I229-K231 PolarHBondContact O-N 2.92Å |
| 232 | V | 98.6 | Very high | 98.6 | Very high | 54 Ų | 54 | 53.8 Ų | 53.8 | 33% | 0.327 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -78.9 | -67.2 | -179 | -172 | 0 | 0 | 0 | 0 | 110.4 | A228 I229 W230 E290 E291 | A228-V232 WeakPolarHBondContact O-CG2 3.42Å; I229-V232 PolarHBondContact O-N 3.02Å; I229-V232 VanDerWaalsContact O-N 3.1Å; W230-V232 PolarHBondContact O-N 3.22Å; V232-E290 HydrophobicContact CG1-CB 4.12Å; V232-E291 HydrophobicContact CB-CG 3.92Å; V232-E291 HydrophobicContact CG1-CG 4.26Å |
| 233 | H | 98.4 | Very high | 98.6 | Very high | 91 Ų | 91 | 55.9 Ų | 55.9 | 42% | 0.421 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -129.1 | 21.4 | 178.9 | -45.8 | -68.4 | 0 | 0 | 0 | 114.5 | K235 E290 E291 | H233-K235 PolarHBondContact O-N 3.22Å; H233-E290 IonicContact CD2-OE2 3.17Å; H233-E290 IonicContact CE1-OE2 4Å; H233-E290 PolarHBondContact CE1-OE2 3.16Å; H233-E290 IonicContact NE2-OE2 2.66Å; H233-E290 PolarHBondContact NE2-OE2 3.03Å; H233-E291 WeakPolarHBondContact CB-OE1 3.31Å; H233-E291 IonicContact CD2-OE1 3.72Å; H233-E291 IonicContact CG-OE1 2.94Å |
| 234 | G | 98.1 | Very high | 98.5 | Very high | 37 Ų | 37 | 54 Ų | 54 | 38% | 0.381 | 28% | 0.276 | S | S | . | . | trans | 79.6 | 8.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | W230 | W230-G234 WeakPolarHBondContact O-CA 3.48Å; W230-G234 PolarHBondContact O-N 3.29Å | ||
| 235 | K | 97.9 | Very high | 98.4 | Very high | 73 Ų | 73 | 54.6 Ų | 54.6 | 32% | 0.317 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 132 | 177.6 | -64.6 | -61.5 | -174.5 | -176.8 | 0 | 111.6 | I229 W230 H233 Y237 R271 E291 | I229-K235 HydrophobicContact CG2-CB 4.5Å; W230-K235 WeakPolarHBondContact CA-O 3.49Å; H233-K235 PolarHBondContact O-N 3.22Å; K235-Y237 HydrophobicContact CB-CE2 4.24Å; K235-R271 VanDerWaalsContact CE-NH1 3.26Å; K235-R271 VanDerWaalsContact CG-NH2 3.29Å; K235-E291 WeakPolarHBondContact CB-OE1 3.45Å; K235-E291 WeakPolarHBondContact CG-OE1 3.36Å; K235-E291 WeakPolarHBondContact CG-OE2 3.37Å |
| 236 | K | 98.2 | Very high | 98.4 | Very high | 159 Ų | 159 | 57.8 Ų | 57.8 | 69% | 0.691 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -93.2 | 119.3 | -179.4 | -64.3 | -178.5 | -179.7 | -179.5 | 0 | 109.6 | Q199 | Q199-K236 PolarHBondContact NE2-O 2.86Š|
| 237 | Y | 98.7 | Very high | 98.3 | Very high | 16 Ų | 16 | 61.9 Ų | 61.9 | 6% | 0.063 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -102.1 | 137.4 | 170.8 | -81.8 | -124.5 | 0 | 0 | 0 | 109.7 | Q199 L201 I229 K235 E269 L270 R271 | Q199-Y237 HydrophobicContact CB-CD1 4.24Å; Q199-Y237 HydrophobicContact CB-CD2 3.78Å; Q199-Y237 HydrophobicContact CB-CE1 4.22Å; Q199-Y237 HydrophobicContact CB-CE2 3.75Å; Q199-Y237 HydrophobicContact CB-CG 4.02Å; Q199-Y237 HydrophobicContact CG-CD2 4.33Å; Q199-Y237 HydrophobicContact CG-CE2 3.85Å; Q199-Y237 CarbonylContact O-C 2.95Å; Q199-Y237 WeakPolarHBondContact O-CA 3.4Å; L201-Y237 HydrophobicContact CD2-CD1 4.31Å; L201-Y237 HydrophobicContact CG-CD1 4.22Å; I229-Y237 HydrophobicContact CB-CD2 4.48Å; I229-Y237 HydrophobicContact CD1-CD1 3.97Å; I229-Y237 HydrophobicContact CD1-CD2 4.26Å; I229-Y237 HydrophobicContact CD1-CE1 4.24Å; I229-Y237 HydrophobicContact CD1-CG 3.99Å; I229-Y237 HydrophobicContact CG2-CD2 3.51Å; I229-Y237 HydrophobicContact CG2-CE2 3.61Å; I229-Y237 HydrophobicContact CG2-CG 4.28Å; K235-Y237 HydrophobicContact CB-CE2 4.24Å; Y237-E269 VanDerWaalsContact CE1-O 3.31Å; Y237-E269 WeakPolarHBondContact CE1-O 3.49Å; Y237-L270 WeakPolarHBondContact OH-CA 3.41Å; Y237-R271 PolarHBondContact OH-N 3.06Å |
| 238 | R | 98.6 | Very high | 98.3 | Very high | 138 Ų | 138 | 58.5 Ų | 58.5 | 52% | 0.521 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 139.6 | 172.1 | -62.3 | -176 | -67.6 | 136.9 | 3.2 | 109.8 | Q199 L200 L201 V245 | Q199-R238 PolarHBondContact O-N 3.42Å; L200-R238 CarbonylContact C-O 3.57Å; L200-R238 WeakPolarHBondContact CA-O 3.41Å; L200-R238 HydrophobicContact CD2-CB 3.79Å; L201-R238 PolarHBondContact N-O 3.39Å; R238-V245 PolarHBondContact NH1-O 3.08Å; R238-V245 PolarHBondContact NH2-O 2.85Å |
| 239 | V | 98.9 | Very high | 98.2 | Very high | 24 Ų | 24 | 58 Ų | 58 | 15% | 0.145 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 136.6 | -179.8 | -169.3 | 0 | 0 | 0 | 0 | 109.1 | L201 M219 G222 E223 A226 | L201-V239 HydrophobicContact CB-CG1 4.41Å; L201-V239 HydrophobicContact CB-CG2 4.22Å; L201-V239 HydrophobicContact CD1-CG2 4.32Å; L201-V239 WeakPolarHBondContact O-CA 3.35Å; M219-V239 HydrophobicContact CE-CB 4.38Å; M219-V239 HydrophobicContact CE-CG1 4.24Å; M219-V239 HydrophobicContact SD-CG1 4.09Å; G222-V239 WeakPolarHBondContact O-CG2 3.44Å; E223-V239 HydrophobicContact CG-CB 4.39Å; E223-V239 HydrophobicContact CG-CG2 4.33Å; A226-V239 HydrophobicContact CB-CG2 3.72Å |
| 240 | G | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 58 Ų | 58 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.3 | 177.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L201 L202 I203 | L201-G240 PolarHBondContact O-N 3.21Å; L202-G240 VanDerWaalsContact CA-O 3.29Å; L202-G240 WeakPolarHBondContact CA-O 3.4Å; I203-G240 PolarHBondContact N-O 2.97Å |
| 241 | T | 98.6 | Very high | 98.2 | Very high | 22 Ų | 22 | 51.9 Ų | 51.9 | 14% | 0.135 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 154.6 | 171.2 | 66.3 | 0 | 0 | 0 | 0 | 110.5 | I203 Y215 A244 V245 | I203-T241 HydrophobicContact CG1-CG2 4.25Å; I203-T241 WeakPolarHBondContact O-CA 3.4Å; Y215-T241 HydrophobicContact CD2-CG2 4.34Å; Y215-T241 HydrophobicContact CE2-CG2 3.73Å; T241-A244 PolarHBondContact O-N 3.05Å; T241-A244 VanDerWaalsContact OG1-CB 3.31Å; T241-A244 WeakPolarHBondContact OG1-CB 3.18Å; T241-A244 PolarHBondContact OG1-N 3Å; T241-V245 WeakPolarHBondContact O-CG2 3.33Å; T241-V245 PolarHBondContact O-N 3.23Å |
| 242 | S | 97.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56 | -45.4 | 178.7 | -50 | 0 | 0 | 0 | 0 | 112.7 | A244 V245 L246 Y247 N249 R254 | S242-A244 VanDerWaalsContact C-N 3.28Å; S242-A244 PolarHBondContact O-N 2.91Å; S242-V245 PolarHBondContact O-N 3.34Å; S242-L246 CarbonylContact O-C 3.46Å; S242-L246 WeakPolarHBondContact O-CA 3.48Å; S242-L246 PolarHBondContact O-N 2.84Å; S242-Y247 CarbonylContact C-O 3.48Å; S242-Y247 VanDerWaalsContact CB-O 3.22Å; S242-Y247 WeakPolarHBondContact CB-O 3.37Å; S242-Y247 CarbonylContact O-C 3.58Å; S242-Y247 PolarHBondContact O-N 3.09Å; S242-N249 WeakPolarHBondContact CB-ND2 3.43Å; S242-N249 PolarHBondContact OG-ND2 2.9Å; S242-R254 PolarHBondContact OG-NH1 3.11Å; S242-R254 PolarHBondContact OG-NH2 2.93Å |
| 243 | P | 97.8 | Very high | 98.2 | Very high | 44 Ų | 44 | 43 Ų | 43 | 29% | 0.286 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.3 | -34.3 | 174.7 | -24.5 | 32.4 | 0 | 0 | 0 | 114.7 | Y205 G206 P208 A248 | Y205-P243 VanDerWaalsContact O-CD 3.3Å; Y205-P243 WeakPolarHBondContact O-CD 3.17Å; G206-P243 WeakPolarHBondContact O-CD 3.46Å; G206-P243 WeakPolarHBondContact O-CG 3.36Å; P208-P243 HydrophobicContact CB-CB 4.47Å; P208-P243 HydrophobicContact CB-CG 4.34Å; P243-A248 HydrophobicContact CB-CB 4.35Å; P243-A248 HydrophobicContact CG-CB 4.1Å |
| 244 | A | 97.9 | Very high | 98.2 | Very high | 72 Ų | 72 | 38.8 Ų | 38.8 | 60% | 0.595 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -77.3 | -35.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T241 S242 | T241-A244 PolarHBondContact O-N 3.05Å; T241-A244 VanDerWaalsContact OG1-CB 3.31Å; T241-A244 WeakPolarHBondContact OG1-CB 3.18Å; T241-A244 PolarHBondContact OG1-N 3Å; S242-A244 VanDerWaalsContact C-N 3.28Å; S242-A244 PolarHBondContact O-N 2.91Å |
| 245 | V | 97.7 | Very high | 98.2 | Very high | 25 Ų | 25 | 37 Ų | 37 | 15% | 0.152 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -121.3 | -10.6 | -172.2 | -58.7 | 0 | 0 | 0 | 0 | 115 | L202 R238 T241 S242 | L202-V245 HydrophobicContact CD2-CG2 3.49Å; L202-V245 VanDerWaalsContact CD2-CG2 3.49Å; R238-V245 PolarHBondContact NH1-O 3.08Å; R238-V245 PolarHBondContact NH2-O 2.85Å; T241-V245 WeakPolarHBondContact O-CG2 3.33Å; T241-V245 PolarHBondContact O-N 3.23Å; S242-V245 PolarHBondContact O-N 3.34Å |
| 246 | L | 97.1 | Very high | 98.2 | Very high | 66 Ų | 66 | 33.9 Ų | 33.9 | 35% | 0.346 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -134.1 | -87 | -177.9 | -177.3 | 59.4 | 0 | 0 | 0 | 111.8 | L200 L202 S242 | L200-L246 HydrophobicContact CD1-CB 3.96Å; L200-L246 HydrophobicContact CD1-CD1 3.98Å; L200-L246 HydrophobicContact CD1-CD2 4.21Å; L200-L246 HydrophobicContact CD1-CG 4.25Å; L202-L246 HydrophobicContact CD1-CD2 3.76Å; L202-L246 HydrophobicContact CD2-CB 4.3Å; S242-L246 CarbonylContact O-C 3.46Å; S242-L246 WeakPolarHBondContact O-CA 3.48Å; S242-L246 PolarHBondContact O-N 2.84Å |
| 247 | Y | 97.4 | Very high | 98.3 | Very high | 98 Ų | 98 | 26.3 Ų | 26.3 | 38% | 0.384 | 14% | 0.141 | S | C | . | . | trans | -164.7 | 160.2 | 173.7 | 54.7 | -105.4 | 0 | 0 | 0 | 110.1 | R143 S242 N249 | R143-Y247 VanDerWaalsContact NH2-CE2 3.27Å; R143-Y247 PolarHBondContact NH2-OH 2.87Å; S242-Y247 CarbonylContact C-O 3.48Å; S242-Y247 VanDerWaalsContact CB-O 3.22Å; S242-Y247 WeakPolarHBondContact CB-O 3.37Å; S242-Y247 CarbonylContact O-C 3.58Å; S242-Y247 PolarHBondContact O-N 3.09Å; Y247-N249 HydrophobicContact CD2-CB 4.32Å; Y247-N249 HydrophobicContact CE2-CB 4.07Å | ||
| 248 | A | 98.3 | Very high | 98.3 | Very high | 28 Ų | 28 | 26.2 Ų | 26.2 | 23% | 0.231 | 14% | 0.141 | C | C | . | . | trans | -71 | 137.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V152 G153 G206 P243 | V152-A248 HydrophobicContact CG1-CB 4.45Å; V152-A248 HydrophobicContact CG2-CB 3.71Å; G153-A248 WeakPolarHBondContact CA-O 3.31Å; G206-A248 CarbonylContact O-C 3.57Å; G206-A248 WeakPolarHBondContact O-CA 3.29Å; P243-A248 HydrophobicContact CB-CB 4.35Å; P243-A248 HydrophobicContact CG-CB 4.1Å | ||
| 249 | N | 98.1 | Very high | 98.2 | Very high | 5 Ų | 5 | 23.3 Ų | 23.3 | 3% | 0.027 | 13% | 0.134 | C | C | . | . | trans | -147 | 166.3 | 179.2 | 64 | 65.7 | 0 | 0 | 0 | 112.5 | V152 G206 H207 S242 Y247 | V152-N249 WeakPolarHBondContact CG1-O 3.34Å; V152-N249 CarbonylContact O-C 3.18Å; V152-N249 WeakPolarHBondContact O-CA 3.29Å; G206-N249 CarbonylContact C-O 3.31Å; G206-N249 PolarHBondContact O-N 2.69Å; G206-N249 VanDerWaalsContact O-O 3.06Å; H207-N249 PolarHBondContact N-O 3.39Å; S242-N249 WeakPolarHBondContact CB-ND2 3.43Å; S242-N249 PolarHBondContact OG-ND2 2.9Å; Y247-N249 HydrophobicContact CD2-CB 4.32Å; Y247-N249 HydrophobicContact CE2-CB 4.07Å | ||
| 250 | S | 97.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -136.1 | 160.5 | 175.1 | 52.8 | 0 | 0 | 0 | 0 | 111 | R143 N148 I151 V152 S252 | R143-S250 WeakPolarHBondContact CD-O 3.27Å; N148-S250 WeakPolarHBondContact O-CB 3.34Å; I151-S250 PolarHBondContact N-OG 3.12Å; V152-S250 PolarHBondContact N-OG 2.86Å; V152-S250 VanDerWaalsContact N-OG 3.17Å; V152-S250 WeakPolarHBondContact O-CB 3.4Å; V152-S250 PolarHBondContact O-N 3.32Å; V152-S250 PolarHBondContact O-OG 3Å; S250-S252 VanDerWaalsContact C-N 3.29Å; S250-S252 PolarHBondContact O-N 3.15Å |
| 251 | G | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 69.8 | 24.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | N142 R143 N144 F145 A147 | N142-G251 CarbonylContact C-O 3.56Å; R143-G251 CarbonylContact C-O 3.34Å; R143-G251 VanDerWaalsContact CA-O 3.31Å; R143-G251 WeakPolarHBondContact CA-O 3.37Å; R143-G251 PolarHBondContact N-O 3.18Å; N144-G251 PolarHBondContact N-O 2.74Å; F145-G251 WeakPolarHBondContact CB-O 3.46Å; F145-G251 PolarHBondContact N-O 3.4Å; F145-G251 WeakPolarHBondContact O-CA 3.25Å; A147-G251 PolarHBondContact O-N 2.98Å |
| 252 | S | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -79 | 147.9 | 176.3 | 72.9 | 0 | 0 | 0 | 0 | 112 | N142 S250 R254 D255 W256 | N142-S252 WeakPolarHBondContact OD1-CA 3.21Å; N142-S252 WeakPolarHBondContact OD1-CB 3.14Å; S250-S252 VanDerWaalsContact C-N 3.29Å; S250-S252 PolarHBondContact O-N 3.15Å; S252-R254 VanDerWaalsContact C-N 3.32Å; S252-R254 PolarHBondContact O-N 3.29Å; S252-D255 PolarHBondContact O-N 3.38Å; S252-D255 WeakPolarHBondContact OG-CB 3.44Å; S252-D255 PolarHBondContact OG-N 2.89Å; S252-D255 PolarHBondContact OG-OD2 2.87Å; S252-W256 PolarHBondContact O-N 3.02Å; S252-W256 VanDerWaalsContact O-N 3.08Å | ||
| 253 | S | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62 | -39.5 | 177.9 | 60.4 | 0 | 0 | 0 | 0 | 112 | N142 W256 A257 | N142-S253 PolarHBondContact OD1-N 2.91Å; N142-S253 PolarHBondContact OD1-OG 3.18Å; S253-W256 PolarHBondContact O-N 3.1Å; S253-A257 WeakPolarHBondContact O-CB 3.26Å; S253-A257 PolarHBondContact O-N 2.99Å |
| 254 | R | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 29 Ų | 29 | 1% | 0.011 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.8 | -45.9 | 177.8 | -179.2 | -156.4 | 59.7 | -121.5 | 0.2 | 112.3 | T193 L202 P204 S242 S252 A257 R258 T265 T267 | T193-R254 HydrophobicContact CG2-CB 4.23Å; L202-R254 VanDerWaalsContact O-CD 3.22Å; L202-R254 WeakPolarHBondContact O-CD 3.01Å; P204-R254 HydrophobicContact CG-CG 4.08Å; S242-R254 PolarHBondContact OG-NH1 3.11Å; S242-R254 PolarHBondContact OG-NH2 2.93Å; S252-R254 VanDerWaalsContact C-N 3.32Å; S252-R254 PolarHBondContact O-N 3.29Å; R254-A257 PolarHBondContact O-N 3.46Å; R254-R258 PolarHBondContact O-N 2.89Å; R254-T265 PolarHBondContact O-OG1 3.47Å; R254-T267 PolarHBondContact NH1-OG1 3Å |
| 255 | D | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.9 | -41.3 | 179.5 | -70.7 | -2.2 | 0 | 0 | 0 | 110.9 | A147 Y205 G206 S252 R258 M259 | A147-D255 HydrophobicContact CB-CB 3.86Å; Y205-D255 WeakPolarHBondContact CA-OD1 3.25Å; Y205-D255 HydrophobicContact CD1-CB 3.82Å; Y205-D255 HydrophobicContact CE1-CB 4.29Å; G206-D255 VanDerWaalsContact CA-OD2 3.3Å; G206-D255 WeakPolarHBondContact CA-OD2 3.48Å; G206-D255 VanDerWaalsContact N-CG 3.32Å; G206-D255 PolarHBondContact N-OD1 3.35Å; G206-D255 PolarHBondContact N-OD2 3.49Å; S252-D255 PolarHBondContact O-N 3.38Å; S252-D255 WeakPolarHBondContact OG-CB 3.44Å; S252-D255 PolarHBondContact OG-N 2.89Å; S252-D255 PolarHBondContact OG-OD2 2.87Å; D255-R258 PolarHBondContact O-N 3.38Å; D255-M259 WeakPolarHBondContact O-CG 3.43Å; D255-M259 PolarHBondContact O-N 3.41Å |
| 256 | W | 98.8 | Very high | 98.4 | Very high | 7 Ų | 7 | 24.4 Ų | 24.4 | 3% | 0.027 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.3 | -48.3 | 173.4 | 169.9 | 84.3 | 0 | 0 | 0 | 111.6 | F145 A147 V177 T178 V181 F191 S252 S253 R258 M259 Q260 | F145-W256 HydrophobicContact CB-CB 3.72Å; F145-W256 HydrophobicContact CB-CG 4.13Å; F145-W256 HydrophobicContact CD1-CB 4.06Å; F145-W256 AromaticContact CD1-CD2 3.93Å; F145-W256 HydrophobicContact CD1-CD2 3.93Å; F145-W256 HydrophobicContact CD1-CE3 4.08Å; F145-W256 AromaticContact CD1-CG 3.89Å; F145-W256 HydrophobicContact CD1-CG 3.89Å; F145-W256 HydrophobicContact CE1-CE3 4.3Å; F145-W256 HydrophobicContact CG-CB 4.22Å; F145-W256 HydrophobicContact CG-CG 4.46Å; A147-W256 HydrophobicContact CB-CB 3.96Å; V177-W256 HydrophobicContact CG1-CZ3 4.31Å; T178-W256 HydrophobicContact CG2-CZ2 3.67Å; V181-W256 HydrophobicContact CB-CH2 3.93Å; V181-W256 HydrophobicContact CB-CZ3 4.16Å; V181-W256 HydrophobicContact CG1-CH2 4.03Å; V181-W256 HydrophobicContact CG1-CZ3 4.05Å; F191-W256 HydrophobicContact CE2-CZ3 4.23Å; S252-W256 PolarHBondContact O-N 3.02Å; S252-W256 VanDerWaalsContact O-N 3.08Å; S253-W256 PolarHBondContact O-N 3.1Å; W256-R258 PolarHBondContact O-N 2.9Å; W256-M259 CarbonylContact O-C 3.34Å; W256-M259 WeakPolarHBondContact O-CA 3.28Å; W256-M259 WeakPolarHBondContact O-CB 3.17Å; W256-M259 PolarHBondContact O-N 3.03Å; W256-Q260 HydrophobicContact CD2-CG 4.22Å; W256-Q260 HydrophobicContact CH2-CG 4.12Å; W256-Q260 HydrophobicContact CZ2-CG 3.65Å; W256-Q260 WeakPolarHBondContact O-CG 3.33Å; W256-Q260 PolarHBondContact O-N 3.19Å |
| 257 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58 | -39.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F191 S253 R254 Q260 I262 T265 | F191-A257 HydrophobicContact CB-CB 3.75Å; F191-A257 HydrophobicContact CD1-CB 3.68Å; F191-A257 HydrophobicContact CD2-CB 3.57Å; F191-A257 HydrophobicContact CE1-CB 4.15Å; F191-A257 HydrophobicContact CE2-CB 4.04Å; F191-A257 HydrophobicContact CG-CB 3.38Å; F191-A257 HydrophobicContact CZ-CB 4.32Å; S253-A257 WeakPolarHBondContact O-CB 3.26Å; S253-A257 PolarHBondContact O-N 2.99Å; R254-A257 PolarHBondContact O-N 3.46Å; A257-Q260 WeakPolarHBondContact O-CB 3.17Å; A257-Q260 PolarHBondContact O-N 2.65Å; A257-Q260 VanDerWaalsContact O-N 3.16Å; A257-I262 HydrophobicContact CB-CD1 4.17Å; A257-I262 WeakPolarHBondContact O-CB 3.31Å; A257-I262 PolarHBondContact O-N 2.92Å; A257-T265 HydrophobicContact CB-CG2 3.89Å |
| 258 | R | 98.4 | Very high | 98.5 | Very high | 14 Ų | 14 | 16.7 Ų | 16.7 | 5% | 0.053 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -67.8 | -37.2 | 175.7 | -174.9 | 58.4 | -170.1 | 79.1 | -3.7 | 112.7 | P204 Y205 A212 S213 N214 R254 D255 W256 Q260 D261 T265 | P204-R258 HydrophobicContact CB-CB 4.05Å; P204-R258 HydrophobicContact CB-CG 4Å; P204-R258 HydrophobicContact CG-CB 3.63Å; P204-R258 HydrophobicContact CG-CG 3.81Å; Y205-R258 HydrophobicContact CE1-CB 4.2Å; Y205-R258 HydrophobicContact CE1-CG 4.2Å; Y205-R258 WeakPolarHBondContact OH-CG 3.34Å; A212-R258 HydrophobicContact CB-CG 4.43Å; S213-R258 PolarHBondContact OG-NH2 3.32Å; N214-R258 VanDerWaalsContact OD1-CZ 3.32Å; N214-R258 PolarHBondContact OD1-NE 2.76Å; N214-R258 PolarHBondContact OD1-NH2 3.28Å; R254-R258 PolarHBondContact O-N 2.89Å; D255-R258 PolarHBondContact O-N 3.38Å; W256-R258 PolarHBondContact O-N 2.9Å; R258-Q260 PolarHBondContact O-N 3.48Å; R258-D261 IonicContact NH1-OD1 3.99Å; R258-D261 PolarHBondContact O-N 3.03Å; R258-T265 HydrophobicContact CB-CG2 4.26Å |
| 259 | M | 98.1 | Very high | 98.5 | Very high | 76 Ų | 76 | 16.2 Ų | 16.2 | 37% | 0.374 | 8% | 0.084 | S | C | . | . | H | α-helix | trans | -67 | -19 | 173.1 | -70 | 172 | 62.1 | 0 | 0 | 112.9 | A147 Y205 D255 W256 D261 | A147-M259 HydrophobicContact CB-SD 3.73Å; Y205-M259 HydrophobicContact CE1-CG 3.91Å; D255-M259 WeakPolarHBondContact O-CG 3.43Å; D255-M259 PolarHBondContact O-N 3.41Å; W256-M259 CarbonylContact O-C 3.34Å; W256-M259 WeakPolarHBondContact O-CA 3.28Å; W256-M259 WeakPolarHBondContact O-CB 3.17Å; W256-M259 PolarHBondContact O-N 3.03Å; M259-D261 PolarHBondContact O-N 3.05Å |
| 260 | Q | 98.1 | Very high | 98.6 | Very high | 46 Ų | 46 | 16 Ų | 16 | 22% | 0.215 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 13.2 | 168.9 | -58.9 | -45.9 | -52.9 | 0 | 0 | 113.4 | K185 W256 A257 R258 I262 | K185-Q260 HydrophobicContact CB-CB 4.24Å; K185-Q260 HydrophobicContact CD-CB 3.97Å; W256-Q260 HydrophobicContact CD2-CG 4.22Å; W256-Q260 HydrophobicContact CH2-CG 4.12Å; W256-Q260 HydrophobicContact CZ2-CG 3.65Å; W256-Q260 WeakPolarHBondContact O-CG 3.33Å; W256-Q260 PolarHBondContact O-N 3.19Å; A257-Q260 WeakPolarHBondContact O-CB 3.17Å; A257-Q260 PolarHBondContact O-N 2.65Å; A257-Q260 VanDerWaalsContact O-N 3.16Å; R258-Q260 PolarHBondContact O-N 3.48Å; Q260-I262 PolarHBondContact O-N 3.33Å |
| 261 | D | 97.8 | Very high | 98.6 | Very high | 117 Ų | 117 | 16.3 Ų | 16.3 | 63% | 0.626 | 8% | 0.084 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | 19.6 | -178.8 | -60.9 | -51.7 | 0 | 0 | 0 | 115.1 | R258 M259 P263 | R258-D261 IonicContact NH1-OD1 3.99Å; R258-D261 PolarHBondContact O-N 3.03Å; M259-D261 PolarHBondContact O-N 3.05Å; D261-P263 WeakPolarHBondContact O-CD 3.36Å |
| 262 | I | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | -66.7 | 122.5 | 169.4 | -59.4 | 176.3 | 0 | 0 | 0 | 107.8 | V181 F188 F191 A257 Q260 T265 | V181-I262 HydrophobicContact CG1-CD1 3.58Å; F188-I262 HydrophobicContact CB-CD1 3.98Å; F188-I262 HydrophobicContact CB-CG1 4.17Å; F188-I262 HydrophobicContact CB-CG2 4.2Å; F191-I262 HydrophobicContact CB-CD1 4.46Å; F191-I262 HydrophobicContact CB-CG2 4.08Å; F191-I262 HydrophobicContact CD2-CD1 4.3Å; A257-I262 HydrophobicContact CB-CD1 4.17Å; A257-I262 WeakPolarHBondContact O-CB 3.31Å; A257-I262 PolarHBondContact O-N 2.92Å; Q260-I262 PolarHBondContact O-N 3.33Å; I262-T265 HydrophobicContact CB-CG2 3.99Å; I262-T265 HydrophobicContact CG2-CG2 4Å; I262-T265 WeakPolarHBondContact O-CG2 3.36Å | ||
| 263 | P | 98.2 | Very high | 98.4 | Very high | 48 Ų | 48 | 22.1 Ų | 22.1 | 31% | 0.312 | 12% | 0.115 | S | C | . | . | S | Bend | trans | -67.7 | -48.5 | -165 | -24.5 | 34.1 | 0 | 0 | 0 | 114.6 | N214 D261 | N214-P263 PolarHBondContact ND2-O 3.29Å; D261-P263 WeakPolarHBondContact O-CD 3.36Å |
| 264 | L | 98.9 | Very high | 98.3 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 97.2 | -173.8 | -62.9 | 176.1 | 0 | 0 | 0 | 109.7 | L189 C190 F191 E217 L218 V221 F266 I299 Y302 A303 | L189-L264 PolarHBondContact O-N 3.41Å; C190-L264 CarbonylContact C-O 3.6Å; C190-L264 WeakPolarHBondContact CA-O 3.43Å; C190-L264 HydrophobicContact CB-CB 4.44Å; F191-L264 PolarHBondContact N-O 3.19Å; E217-L264 HydrophobicContact CG-CD2 4.32Å; L218-L264 HydrophobicContact CD2-CD2 4.26Å; V221-L264 HydrophobicContact CG2-CD2 4.39Å; L264-F266 HydrophobicContact CB-CE2 4.08Å; L264-F266 HydrophobicContact CD2-CE2 4.39Å; L264-I299 HydrophobicContact CB-CG2 4.44Å; L264-I299 HydrophobicContact CD1-CG2 4.4Å; L264-Y302 HydrophobicContact CD1-CD1 3.9Å; L264-Y302 HydrophobicContact CD1-CE1 4.43Å; L264-A303 HydrophobicContact CD1-CB 3.62Å |
| 265 | T | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 126.8 | 179.6 | 72 | 0 | 0 | 0 | 0 | 111 | F191 P204 R254 A257 R258 I262 | F191-T265 HydrophobicContact CB-CG2 3.88Å; F191-T265 VanDerWaalsContact O-CA 3.31Å; F191-T265 WeakPolarHBondContact O-CA 3.49Å; P204-T265 WeakPolarHBondContact CD-O 3.48Å; P204-T265 WeakPolarHBondContact CG-OG1 3.41Å; R254-T265 PolarHBondContact O-OG1 3.47Å; A257-T265 HydrophobicContact CB-CG2 3.89Å; R258-T265 HydrophobicContact CB-CG2 4.26Å; I262-T265 HydrophobicContact CB-CG2 3.99Å; I262-T265 HydrophobicContact CG2-CG2 4Å; I262-T265 WeakPolarHBondContact O-CG2 3.36Å |
| 266 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 141.3 | -174.7 | -68.9 | -93 | 0 | 0 | 0 | 110.8 | F191 L192 T193 L202 I203 L218 V221 L264 F268 I299 | F191-F266 PolarHBondContact O-N 3.04Å; L192-F266 HydrophobicContact CD2-CB 3.99Å; L192-F266 HydrophobicContact CD2-CD2 4.17Å; T193-F266 PolarHBondContact N-O 3.49Å; L202-F266 WeakPolarHBondContact O-CA 3.36Å; I203-F266 HydrophobicContact CG2-CD1 3.59Å; I203-F266 HydrophobicContact CG2-CE1 3.31Å; I203-F266 HydrophobicContact CG2-CZ 4.15Å; L218-F266 HydrophobicContact CD2-CE2 3.9Å; L218-F266 HydrophobicContact CD2-CZ 3.93Å; L218-F266 WeakPolarHBondContact O-CE1 3.29Å; L218-F266 WeakPolarHBondContact O-CZ 3.33Å; V221-F266 HydrophobicContact CB-CZ 4.18Å; V221-F266 HydrophobicContact CG1-CE2 4.29Å; V221-F266 HydrophobicContact CG1-CZ 4.07Å; L264-F266 HydrophobicContact CB-CE2 4.08Å; L264-F266 HydrophobicContact CD2-CE2 4.39Å; F266-F268 HydrophobicContact CB-CD2 4.4Å; F266-F268 HydrophobicContact CB-CE2 4.12Å; F266-I299 HydrophobicContact CB-CD1 4.37Å; F266-I299 HydrophobicContact CD1-CD1 4.19Å; F266-I299 HydrophobicContact CD2-CD1 3.83Å; F266-I299 HydrophobicContact CD2-CG2 3.98Å; F266-I299 HydrophobicContact CE1-CD1 4.44Å; F266-I299 HydrophobicContact CE2-CD1 4.11Å; F266-I299 HydrophobicContact CE2-CG2 3.85Å; F266-I299 HydrophobicContact CG-CD1 3.87Å; F266-I299 HydrophobicContact CZ-CD1 4.42Å |
| 267 | T | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 127.2 | 161.5 | -60.9 | 0 | 0 | 0 | 0 | 108.5 | T193 H195 L201 L202 R254 E269 | T193-T267 HydrophobicContact CG2-CG2 4.28Å; T193-T267 VanDerWaalsContact CG2-OG1 3.29Å; T193-T267 WeakPolarHBondContact CG2-OG1 3.14Å; T193-T267 VanDerWaalsContact O-CA 3.29Å; T193-T267 WeakPolarHBondContact O-CA 3.44Å; H195-T267 HydrophobicContact CB-CG2 4.36Å; L201-T267 CarbonylContact C-O 3.56Å; L201-T267 WeakPolarHBondContact CA-O 3.3Å; L202-T267 HydrophobicContact CD1-CG2 4.09Å; L202-T267 PolarHBondContact N-O 3.18Å; L202-T267 PolarHBondContact O-N 3.44Å; R254-T267 PolarHBondContact NH1-OG1 3Å; T267-E269 HydrophobicContact CG2-CG 4.49Å |
| 268 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 122.6 | 169.6 | -77.7 | -117 | 0 | 0 | 0 | 108.4 | L192 T193 I194 H195 L201 I229 F266 L270 A296 I299 | L192-F268 HydrophobicContact CD2-CE2 4.27Å; T193-F268 PolarHBondContact O-N 3.48Å; I194-F268 HydrophobicContact CD1-CB 3.78Å; I194-F268 HydrophobicContact CD1-CD2 3.68Å; I194-F268 HydrophobicContact CD1-CE2 4.44Å; I194-F268 HydrophobicContact CD1-CG 3.75Å; I194-F268 HydrophobicContact CG2-CB 4.24Å; H195-F268 CarbonylContact C-O 3.48Å; H195-F268 VanDerWaalsContact CA-O 3.27Å; H195-F268 WeakPolarHBondContact CA-O 3.31Å; H195-F268 VanDerWaalsContact CB-O 3.25Å; H195-F268 WeakPolarHBondContact CB-O 3.41Å; H195-F268 PolarHBondContact N-O 2.59Å; H195-F268 VanDerWaalsContact O-O 3.08Å; L201-F268 HydrophobicContact CD2-CB 4.44Å; L201-F268 HydrophobicContact CD2-CD1 3.36Å; L201-F268 HydrophobicContact CD2-CD2 3.93Å; L201-F268 HydrophobicContact CD2-CE1 3.38Å; L201-F268 HydrophobicContact CD2-CE2 3.92Å; L201-F268 HydrophobicContact CD2-CG 3.65Å; L201-F268 HydrophobicContact CD2-CZ 3.65Å; I229-F268 HydrophobicContact CD1-CE1 4.47Å; F266-F268 HydrophobicContact CB-CD2 4.4Å; F266-F268 HydrophobicContact CB-CE2 4.12Å; F268-L270 HydrophobicContact CB-CD2 4.11Å; F268-L270 HydrophobicContact CD1-CD2 4.2Å; F268-A296 HydrophobicContact CZ-CB 4.24Å; F268-I299 HydrophobicContact CE2-CD1 3.79Å; F268-I299 HydrophobicContact CZ-CD1 3.66Å |
| 269 | E | 98.9 | Very high | 98.2 | Very high | 19 Ų | 19 | 41.6 Ų | 41.6 | 9% | 0.089 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 102.3 | 162.5 | -62.9 | -71.6 | -179.6 | 0 | 0 | 106.7 | H195 S196 Q199 L200 L202 Y237 T267 | H195-E269 VanDerWaalsContact CB-OE2 3.25Å; H195-E269 WeakPolarHBondContact CB-OE2 3.45Å; S196-E269 WeakPolarHBondContact CA-OE2 3.5Å; S196-E269 PolarHBondContact N-OE2 3.36Å; Q199-E269 CarbonylContact C-O 3.58Å; Q199-E269 WeakPolarHBondContact CA-O 3.43Å; Q199-E269 PolarHBondContact N-O 2.75Å; L200-E269 HydrophobicContact CB-CB 3.89Å; L200-E269 HydrophobicContact CB-CG 4.08Å; L200-E269 HydrophobicContact CD1-CG 4.28Å; L200-E269 HydrophobicContact CG-CB 4.24Å; L200-E269 HydrophobicContact CG-CG 4.47Å; L200-E269 PolarHBondContact N-O 3.06Å; L200-E269 PolarHBondContact O-N 3.41Å; L202-E269 HydrophobicContact CD1-CG 4.13Å; Y237-E269 VanDerWaalsContact CE1-O 3.31Å; Y237-E269 WeakPolarHBondContact CE1-O 3.49Å; T267-E269 HydrophobicContact CG2-CG 4.49Å |
| 270 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | -170.5 | -174.6 | -62.4 | -174.8 | 0 | 0 | 0 | 112.7 | I70 F74 I194 H195 Y197 G198 Q199 Y237 F268 T288 A292 | I70-L270 HydrophobicContact CG1-CD1 4.2Å; I70-L270 HydrophobicContact CG2-CB 4.25Å; I70-L270 HydrophobicContact CG2-CD1 4.39Å; F74-L270 HydrophobicContact CB-CD1 3.92Å; F74-L270 HydrophobicContact CG-CD1 4.25Å; I194-L270 HydrophobicContact CG2-CD1 3.64Å; I194-L270 HydrophobicContact CG2-CD2 4.38Å; I194-L270 HydrophobicContact CG2-CG 3.9Å; H195-L270 WeakPolarHBondContact O-CB 3.02Å; H195-L270 WeakPolarHBondContact O-CG 3.5Å; H195-L270 PolarHBondContact O-N 3.46Å; Y197-L270 WeakPolarHBondContact CA-O 3.21Å; G198-L270 PolarHBondContact N-O 2.87Å; G198-L270 VanDerWaalsContact N-O 3.08Å; Q199-L270 PolarHBondContact N-O 3.37Å; Y237-L270 WeakPolarHBondContact OH-CA 3.41Å; F268-L270 HydrophobicContact CB-CD2 4.11Å; F268-L270 HydrophobicContact CD1-CD2 4.2Å; L270-T288 HydrophobicContact CB-CG2 4.09Å; L270-T288 HydrophobicContact CD1-CG2 4.29Å; L270-A292 HydrophobicContact CD2-CB 3.61Å |
| 271 | R | 98.8 | Very high | 98.2 | Very high | 8 Ų | 8 | 37 Ų | 37 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -56.5 | 152.6 | 174.6 | -68 | -162.1 | -167.3 | -176.4 | -0.9 | 111.3 | K235 Y237 L280 E284 T288 E291 | K235-R271 VanDerWaalsContact CE-NH1 3.26Å; K235-R271 VanDerWaalsContact CG-NH2 3.29Å; Y237-R271 PolarHBondContact OH-N 3.06Å; R271-L280 HydrophobicContact CB-CD1 4.34Å; R271-L280 HydrophobicContact CB-CD2 3.98Å; R271-E284 IonicContact CZ-OE2 2.69Å; R271-E284 IonicContact NH1-OE2 3.2Å; R271-E284 PolarHBondContact NH1-OE2 3.31Å; R271-T288 HydrophobicContact CB-CG2 4.02Å; R271-T288 WeakPolarHBondContact CD-OG1 3.31Å; R271-T288 HydrophobicContact CG-CG2 3.99Å; R271-T288 WeakPolarHBondContact CG-OG1 3.05Å; R271-E291 IonicContact CZ-OE1 2.97Å; R271-E291 IonicContact CZ-OE2 2.62Å; R271-E291 VanDerWaalsContact CZ-OE2 3.29Å; R271-E291 IonicContact NE-OE1 2.62Å; R271-E291 IonicContact NE-OE2 2.87Å; R271-E291 PolarHBondContact NE-OE2 3.43Å; R271-E291 IonicContact NH2-OE1 2.83Å; R271-E291 PolarHBondContact NH2-OE1 2.87Å; R271-E291 IonicContact NH2-OE2 2.71Å; R271-E291 PolarHBondContact NH2-OE2 3.1Å |
| 272 | D | 98.1 | Very high | 98.3 | Very high | 13 Ų | 13 | 35.6 Ų | 35.6 | 7% | 0.07 | 19% | 0.192 | C | C | . | . | cis | -109 | -151.8 | -3.5 | 67.8 | -0.8 | 0 | 0 | 0 | 111.9 | Y197 G198 G274 T275 Y276 G277 L280 | Y197-D272 WeakPolarHBondContact CB-O 3.46Å; Y197-D272 WeakPolarHBondContact CD2-O 3.17Å; G198-D272 VanDerWaalsContact CA-O 3.3Å; G198-D272 WeakPolarHBondContact CA-O 3.25Å; G198-D272 PolarHBondContact N-O 3.06Å; D272-G274 WeakPolarHBondContact OD1-CA 3.44Å; D272-G274 PolarHBondContact OD1-N 3.17Å; D272-T275 PolarHBondContact OD1-N 3.27Å; D272-T275 WeakPolarHBondContact OD2-CA 3.49Å; D272-T275 WeakPolarHBondContact OD2-CB 3.46Å; D272-T275 PolarHBondContact OD2-N 3.39Å; D272-Y276 WeakPolarHBondContact OD2-CD2 3.33Å; D272-Y276 PolarHBondContact OD2-N 3.35Å; D272-G277 WeakPolarHBondContact OD1-CA 3.24Å; D272-G277 PolarHBondContact OD1-N 3.3Å; D272-L280 HydrophobicContact CB-CD1 4.06Å | ||
| 273 | N | 94.9 | Very high | 98.3 | Very high | 109 Ų | 109 | 42.1 Ų | 42.1 | 58% | 0.583 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -103.5 | 24.2 | 174 | -72.1 | -24.1 | 0 | 0 | 0 | 112.7 | G198 Q199 | G198-N273 VanDerWaalsContact C-OD1 3.24Å; G198-N273 PolarHBondContact O-OD1 2.74Å; G198-N273 VanDerWaalsContact O-OD1 3.06Å; Q199-N273 WeakPolarHBondContact CB-OD1 3.44Å; Q199-N273 WeakPolarHBondContact CG-OD1 3.36Å; Q199-N273 PolarHBondContact NE2-ND2 3.41Å; Q199-N273 VanDerWaalsContact NE2-ND2 3.11Å |
| 274 | G | 95.8 | Very high | 98.3 | Very high | 40 Ų | 40 | 42.4 Ų | 42.4 | 41% | 0.412 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 105.4 | 10 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | D272 | D272-G274 WeakPolarHBondContact OD1-CA 3.44Å; D272-G274 PolarHBondContact OD1-N 3.17Å |
| 275 | T | 97.7 | Very high | 98.3 | Very high | 118 Ų | 118 | 42.2 Ų | 42.2 | 72% | 0.724 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -68.4 | -47 | 172.3 | -56.8 | 0 | 0 | 0 | 0 | 110.1 | D272 | D272-T275 PolarHBondContact OD1-N 3.27Å; D272-T275 WeakPolarHBondContact OD2-CA 3.49Å; D272-T275 WeakPolarHBondContact OD2-CB 3.46Å; D272-T275 PolarHBondContact OD2-N 3.39Å |
| 276 | Y | 98.2 | Very high | 98.3 | Very high | 115 Ų | 115 | 46 Ų | 46 | 45% | 0.451 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -111.9 | -27 | 175.9 | -56.2 | -75.8 | 0 | 0 | 0 | 111.8 | D272 F278 E279 L280 P281 | D272-Y276 WeakPolarHBondContact OD2-CD2 3.33Å; D272-Y276 PolarHBondContact OD2-N 3.35Å; Y276-F278 PolarHBondContact O-N 3.44Å; Y276-F278 VanDerWaalsContact O-N 3.13Å; Y276-E279 PolarHBondContact O-N 3.49Å; Y276-E279 VanDerWaalsContact O-N 3.08Å; Y276-L280 HydrophobicContact CD2-CD1 4.07Å; Y276-P281 HydrophobicContact CD1-CG 3.68Å; Y276-P281 HydrophobicContact CD2-CG 4.17Å; Y276-P281 HydrophobicContact CE1-CG 3.49Å; Y276-P281 VanDerWaalsContact CE1-CG 3.49Å; Y276-P281 HydrophobicContact CE2-CG 4.02Å; Y276-P281 VanDerWaalsContact CG-CD 3.41Å; Y276-P281 HydrophobicContact CG-CG 4.01Å |
| 277 | G | 98.4 | Very high | 98.3 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | 57.6 | -116.8 | -177 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y197 D272 E279 | Y197-G277 VanDerWaalsContact CD1-C 3.46Å; Y197-G277 VanDerWaalsContact CE1-CA 3.42Å; D272-G277 WeakPolarHBondContact OD1-CA 3.24Å; D272-G277 PolarHBondContact OD1-N 3.3Å; G277-E279 VanDerWaalsContact C-N 3.3Å; G277-E279 PolarHBondContact O-N 2.82Å |
| 278 | F | 98.6 | Very high | 98.3 | Very high | 37 Ų | 37 | 47.1 Ų | 47.1 | 16% | 0.162 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -79.7 | -10.7 | -178 | -52 | -61.9 | 0 | 0 | 0 | 114 | R67 E68 R122 L123 S196 Y197 Y276 | R67-F278 HydrophobicContact CB-CB 4.42Å; R67-F278 HydrophobicContact CG-CB 4.3Å; R67-F278 HydrophobicContact CG-CD1 3.99Å; R67-F278 HydrophobicContact CG-CD2 4.28Å; R67-F278 HydrophobicContact CG-CE1 4.39Å; R67-F278 HydrophobicContact CG-CG 3.92Å; R67-F278 VanDerWaalsContact NE-CE2 3.28Å; R67-F278 VanDerWaalsContact NE-CZ 3.35Å; R67-F278 VanDerWaalsContact NH2-CZ 3.33Å; E68-F278 HydrophobicContact CG-CD1 3.74Å; E68-F278 HydrophobicContact CG-CE1 3.83Å; R122-F278 PolarHBondContact NH2-O 3.25Å; L123-F278 HydrophobicContact CD2-CB 4.14Å; L123-F278 HydrophobicContact CD2-CD2 4.38Å; S196-F278 VanDerWaalsContact O-CE1 3.25Å; S196-F278 WeakPolarHBondContact O-CE1 3.2Å; Y197-F278 AromaticContact CD1-CD1 3.7Å; Y197-F278 HydrophobicContact CD1-CD1 3.7Å; Y197-F278 HydrophobicContact CD1-CD2 4.46Å; Y197-F278 AromaticContact CD1-CE1 3.5Å; Y197-F278 HydrophobicContact CD1-CE1 3.5Å; Y197-F278 HydrophobicContact CD1-CE2 4.28Å; Y197-F278 HydrophobicContact CD1-CG 4.19Å; Y197-F278 AromaticContact CD1-CZ 3.79Å; Y197-F278 HydrophobicContact CD1-CZ 3.79Å; Y197-F278 HydrophobicContact CE1-CD1 4.08Å; Y197-F278 HydrophobicContact CE1-CD2 4.06Å; Y197-F278 AromaticContact CE1-CE1 3.73Å; Y197-F278 HydrophobicContact CE1-CE1 3.73Å; Y197-F278 AromaticContact CE1-CE2 3.67Å; Y197-F278 HydrophobicContact CE1-CE2 3.67Å; Y197-F278 HydrophobicContact CE1-CG 4.24Å; Y197-F278 AromaticContact CE1-CZ 3.49Å; Y197-F278 HydrophobicContact CE1-CZ 3.49Å; Y197-F278 VanDerWaalsContact CE1-CZ 3.49Å; Y276-F278 PolarHBondContact O-N 3.44Å; Y276-F278 VanDerWaalsContact O-N 3.13Å |
| 279 | E | 98.3 | Very high | 98.3 | Very high | 117 Ų | 117 | 47.1 Ų | 47.1 | 55% | 0.547 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -105.7 | 37.7 | -179.4 | -62 | -176.7 | 110.1 | 0 | 0 | 110.8 | L123 Y276 G277 | L123-E279 HydrophobicContact CD2-CG 4.19Å; Y276-E279 PolarHBondContact O-N 3.49Å; Y276-E279 VanDerWaalsContact O-N 3.08Å; G277-E279 VanDerWaalsContact C-N 3.3Å; G277-E279 PolarHBondContact O-N 2.82Å |
| 280 | L | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | trans | -54 | 125.4 | 178 | -171.2 | 72.6 | 0 | 0 | 0 | 110.4 | Y7 I70 R271 D272 Y276 E284 | Y7-L280 WeakPolarHBondContact CE2-O 3.45Å; Y7-L280 PolarHBondContact OH-O 2.87Å; I70-L280 HydrophobicContact CB-CD2 4.23Å; I70-L280 HydrophobicContact CD1-CD2 4.17Å; I70-L280 HydrophobicContact CG1-CD2 3.9Å; R271-L280 HydrophobicContact CB-CD1 4.34Å; R271-L280 HydrophobicContact CB-CD2 3.98Å; D272-L280 HydrophobicContact CB-CD1 4.06Å; Y276-L280 HydrophobicContact CD2-CD1 4.07Å; L280-E284 HydrophobicContact CD1-CB 3.88Å; L280-E284 HydrophobicContact CD1-CG 4.15Å; L280-E284 HydrophobicContact CD2-CB 4.02Å; L280-E284 HydrophobicContact CG-CB 3.72Å; L280-E284 HydrophobicContact CG-CG 4.47Å | ||
| 281 | P | 98.6 | Very high | 98.2 | Very high | 24 Ų | 24 | 48.5 Ų | 48.5 | 16% | 0.156 | 25% | 0.25 | C | S | . | . | trans | -61.1 | 157.6 | -176.1 | -25.5 | 34.2 | 0 | 0 | 0 | 113.8 | Y276 E283 E284 | Y276-P281 HydrophobicContact CD1-CG 3.68Å; Y276-P281 HydrophobicContact CD2-CG 4.17Å; Y276-P281 HydrophobicContact CE1-CG 3.49Å; Y276-P281 VanDerWaalsContact CE1-CG 3.49Å; Y276-P281 HydrophobicContact CE2-CG 4.02Å; Y276-P281 VanDerWaalsContact CG-CD 3.41Å; Y276-P281 HydrophobicContact CG-CG 4.01Å; P281-E283 VanDerWaalsContact C-N 3.29Å; P281-E283 HydrophobicContact CB-CG 4.01Å; P281-E283 WeakPolarHBondContact CB-OE1 3.42Å; P281-E283 WeakPolarHBondContact CB-OE2 3.28Å; P281-E283 PolarHBondContact O-N 3.06Å; P281-E284 WeakPolarHBondContact O-CB 3.46Å; P281-E284 PolarHBondContact O-N 3.18Å | ||
| 282 | Q | 98.3 | Very high | 98.2 | Very high | 87 Ų | 87 | 48.1 Ų | 48.1 | 41% | 0.407 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -65 | -33.9 | -177.4 | -72.1 | -178.5 | -28 | 0 | 0 | 112.3 | Y7 E284 I285 | Y7-Q282 HydrophobicContact CD2-CG 4.03Å; Y7-Q282 HydrophobicContact CE2-CG 4.25Å; Q282-E284 PolarHBondContact O-N 3.41Å; Q282-E284 VanDerWaalsContact O-N 3.13Å; Q282-I285 HydrophobicContact CB-CD1 4.14Å; Q282-I285 HydrophobicContact CG-CD1 4.11Å; Q282-I285 VanDerWaalsContact O-CB 3.3Å; Q282-I285 WeakPolarHBondContact O-CB 3.38Å; Q282-I285 WeakPolarHBondContact O-CG1 3.37Å; Q282-I285 PolarHBondContact O-N 3.34Å |
| 283 | E | 98.4 | Very high | 98.3 | Very high | 138 Ų | 138 | 48.8 Ų | 48.8 | 65% | 0.645 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -60.6 | -20.4 | 174.4 | 61.7 | -91 | -151 | 0 | 0 | 113.4 | P281 P287 | P281-E283 VanDerWaalsContact C-N 3.29Å; P281-E283 HydrophobicContact CB-CG 4.01Å; P281-E283 WeakPolarHBondContact CB-OE1 3.42Å; P281-E283 WeakPolarHBondContact CB-OE2 3.28Å; P281-E283 PolarHBondContact O-N 3.06Å; E283-P287 WeakPolarHBondContact O-CD 3.46Å |
| 284 | E | 98.6 | Very high | 98.5 | Very high | 53 Ų | 53 | 45.3 Ų | 45.3 | 25% | 0.248 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -90.5 | -7.9 | 176.9 | -69.8 | -72.5 | 142.2 | 0 | 0 | 112.7 | R271 L280 P281 Q282 P287 T288 | R271-E284 IonicContact CZ-OE2 2.69Å; R271-E284 IonicContact NH1-OE2 3.2Å; R271-E284 PolarHBondContact NH1-OE2 3.31Å; L280-E284 HydrophobicContact CD1-CB 3.88Å; L280-E284 HydrophobicContact CD1-CG 4.15Å; L280-E284 HydrophobicContact CD2-CB 4.02Å; L280-E284 HydrophobicContact CG-CB 3.72Å; L280-E284 HydrophobicContact CG-CG 4.47Å; P281-E284 WeakPolarHBondContact O-CB 3.46Å; P281-E284 PolarHBondContact O-N 3.18Å; Q282-E284 PolarHBondContact O-N 3.41Å; Q282-E284 VanDerWaalsContact O-N 3.13Å; E284-P287 WeakPolarHBondContact O-CD 3.46Å; E284-P287 WeakPolarHBondContact O-CG 3.4Å; E284-T288 WeakPolarHBondContact O-CB 3.18Å; E284-T288 PolarHBondContact O-N 3.22Å; E284-T288 VanDerWaalsContact O-N 3.1Å; E284-T288 PolarHBondContact O-OG1 2.93Å |
| 285 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.4 | -54.7 | 179.1 | -66.6 | 170.4 | 0 | 0 | 0 | 110.2 | Y4 Y7 I70 A73 Q282 T288 C289 | Y4-I285 WeakPolarHBondContact O-CG2 3.34Å; Y7-I285 HydrophobicContact CD1-CD1 3.8Å; Y7-I285 HydrophobicContact CD1-CG1 4.48Å; Y7-I285 HydrophobicContact CD2-CD1 4.14Å; Y7-I285 HydrophobicContact CE1-CD1 3.64Å; Y7-I285 HydrophobicContact CE1-CG1 3.85Å; Y7-I285 HydrophobicContact CE2-CD1 4Å; Y7-I285 HydrophobicContact CE2-CG1 4.43Å; Y7-I285 HydrophobicContact CG-CD1 4.04Å; I70-I285 HydrophobicContact CD1-CB 4.26Å; I70-I285 HydrophobicContact CD1-CG1 4.02Å; I70-I285 HydrophobicContact CD1-CG2 4.25Å; A73-I285 HydrophobicContact CB-CG2 4.13Å; Q282-I285 HydrophobicContact CB-CD1 4.14Å; Q282-I285 HydrophobicContact CG-CD1 4.11Å; Q282-I285 VanDerWaalsContact O-CB 3.3Å; Q282-I285 WeakPolarHBondContact O-CB 3.38Å; Q282-I285 WeakPolarHBondContact O-CG1 3.37Å; Q282-I285 PolarHBondContact O-N 3.34Å; I285-T288 PolarHBondContact O-N 3.24Å; I285-C289 WeakPolarHBondContact O-CB 3.41Å; I285-C289 PolarHBondContact O-N 3.34Å; I285-C289 PolarHBondContact O-SG 2.94Å |
| 286 | Q | 98.7 | Very high | 98.7 | Very high | 79 Ų | 79 | 37.8 Ų | 37.8 | 37% | 0.369 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -55.2 | -57.1 | -178.9 | -178.9 | 174.1 | -1.1 | 0 | 0 | 112.9 | F5 T288 C289 E290 | F5-Q286 HydrophobicContact CD1-CB 3.54Å; F5-Q286 HydrophobicContact CD1-CG 4.02Å; F5-Q286 HydrophobicContact CE1-CB 3.68Å; F5-Q286 HydrophobicContact CE1-CG 3.59Å; F5-Q286 HydrophobicContact CG-CB 4.16Å; F5-Q286 HydrophobicContact CZ-CB 4.39Å; F5-Q286 HydrophobicContact CZ-CG 3.98Å; Q286-T288 VanDerWaalsContact C-N 3.28Å; Q286-T288 PolarHBondContact O-N 3.2Å; Q286-C289 PolarHBondContact O-N 3.3Å; Q286-E290 HydrophobicContact CG-CG 4.39Å; Q286-E290 VanDerWaalsContact CG-OE1 3.3Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.27Å; Q286-E290 PolarHBondContact NE2-OE1 2.8Å; Q286-E290 WeakPolarHBondContact O-CG 3.47Å; Q286-E290 PolarHBondContact O-N 2.68Å |
| 287 | P | 98.8 | Very high | 98.7 | Very high | 25 Ų | 25 | 34 Ų | 34 | 16% | 0.162 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.8 | -32.1 | -177.8 | 25.8 | -35.6 | 0 | 0 | 0 | 112.7 | E283 E284 E291 | E283-P287 WeakPolarHBondContact O-CD 3.46Å; E284-P287 WeakPolarHBondContact O-CD 3.46Å; E284-P287 WeakPolarHBondContact O-CG 3.4Å; P287-E291 WeakPolarHBondContact O-CB 3.35Å; P287-E291 VanDerWaalsContact O-CG 3.31Å; P287-E291 WeakPolarHBondContact O-CG 3.37Å; P287-E291 PolarHBondContact O-N 3.36Å |
| 288 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66 | -43.9 | 174.5 | -58 | 0 | 0 | 0 | 0 | 111.6 | I70 L270 R271 E284 I285 Q286 A292 | I70-T288 HydrophobicContact CD1-CG2 4.03Å; I70-T288 HydrophobicContact CG1-CG2 3.67Å; L270-T288 HydrophobicContact CB-CG2 4.09Å; L270-T288 HydrophobicContact CD1-CG2 4.29Å; R271-T288 HydrophobicContact CB-CG2 4.02Å; R271-T288 WeakPolarHBondContact CD-OG1 3.31Å; R271-T288 HydrophobicContact CG-CG2 3.99Å; R271-T288 WeakPolarHBondContact CG-OG1 3.05Å; E284-T288 WeakPolarHBondContact O-CB 3.18Å; E284-T288 PolarHBondContact O-N 3.22Å; E284-T288 VanDerWaalsContact O-N 3.1Å; E284-T288 PolarHBondContact O-OG1 2.93Å; I285-T288 PolarHBondContact O-N 3.24Å; Q286-T288 VanDerWaalsContact C-N 3.28Å; Q286-T288 PolarHBondContact O-N 3.2Å; T288-A292 VanDerWaalsContact O-CB 3.25Å; T288-A292 WeakPolarHBondContact O-CB 3.33Å; T288-A292 PolarHBondContact O-N 3.45Å |
| 289 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69 | -40.7 | -178.4 | -72.9 | 0 | 0 | 0 | 0 | 112.6 | F74 Y77 I285 Q286 A292 Y293 | F74-C289 HydrophobicContact CD2-CB 4.38Å; Y77-C289 HydrophobicContact CD1-CB 3.62Å; Y77-C289 HydrophobicContact CD2-CB 3.86Å; Y77-C289 HydrophobicContact CE1-CB 4.07Å; Y77-C289 HydrophobicContact CE2-CB 4.29Å; Y77-C289 HydrophobicContact CG-CB 3.5Å; I285-C289 WeakPolarHBondContact O-CB 3.41Å; I285-C289 PolarHBondContact O-N 3.34Å; I285-C289 PolarHBondContact O-SG 2.94Å; Q286-C289 PolarHBondContact O-N 3.3Å; C289-A292 PolarHBondContact O-N 3.14Å; C289-Y293 WeakPolarHBondContact O-CB 3.25Å; C289-Y293 PolarHBondContact O-N 3.1Å |
| 290 | E | 98.9 | Very high | 98.8 | Very high | 49 Ų | 49 | 29.7 Ų | 29.7 | 23% | 0.229 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.1 | -44.8 | 175.8 | -75.1 | 169.9 | 175.4 | 0 | 0 | 111.8 | Y77 V232 H233 Q286 S294 | Y77-E290 WeakPolarHBondContact OH-CG 3.19Å; V232-E290 HydrophobicContact CG1-CB 4.12Å; H233-E290 IonicContact CD2-OE2 3.17Å; H233-E290 IonicContact CE1-OE2 4Å; H233-E290 PolarHBondContact CE1-OE2 3.16Å; H233-E290 IonicContact NE2-OE2 2.66Å; H233-E290 PolarHBondContact NE2-OE2 3.03Å; Q286-E290 HydrophobicContact CG-CG 4.39Å; Q286-E290 VanDerWaalsContact CG-OE1 3.3Å; Q286-E290 WeakPolarHBondContact CG-OE1 3.27Å; Q286-E290 PolarHBondContact NE2-OE1 2.8Å; Q286-E290 WeakPolarHBondContact O-CG 3.47Å; Q286-E290 PolarHBondContact O-N 2.68Å; E290-S294 PolarHBondContact O-N 3.39Å |
| 291 | E | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.1 | -55.9 | 174.8 | -80.8 | 173.8 | 171.1 | 0 | 0 | 112.6 | I229 V232 H233 K235 R271 P287 Y293 S294 G295 | I229-E291 VanDerWaalsContact CG1-O 3.28Å; I229-E291 WeakPolarHBondContact CG1-O 3.41Å; I229-E291 HydrophobicContact CG2-CB 3.98Å; I229-E291 HydrophobicContact CG2-CG 4.25Å; V232-E291 HydrophobicContact CB-CG 3.92Å; V232-E291 HydrophobicContact CG1-CG 4.26Å; H233-E291 WeakPolarHBondContact CB-OE1 3.31Å; H233-E291 IonicContact CD2-OE1 3.72Å; H233-E291 IonicContact CG-OE1 2.94Å; K235-E291 WeakPolarHBondContact CB-OE1 3.45Å; K235-E291 WeakPolarHBondContact CG-OE1 3.36Å; K235-E291 WeakPolarHBondContact CG-OE2 3.37Å; R271-E291 IonicContact CZ-OE1 2.97Å; R271-E291 IonicContact CZ-OE2 2.62Å; R271-E291 VanDerWaalsContact CZ-OE2 3.29Å; R271-E291 IonicContact NE-OE1 2.62Å; R271-E291 IonicContact NE-OE2 2.87Å; R271-E291 PolarHBondContact NE-OE2 3.43Å; R271-E291 IonicContact NH2-OE1 2.83Å; R271-E291 PolarHBondContact NH2-OE1 2.87Å; R271-E291 IonicContact NH2-OE2 2.71Å; R271-E291 PolarHBondContact NH2-OE2 3.1Å; P287-E291 WeakPolarHBondContact O-CB 3.35Å; P287-E291 VanDerWaalsContact O-CG 3.31Å; P287-E291 WeakPolarHBondContact O-CG 3.37Å; P287-E291 PolarHBondContact O-N 3.36Å; E291-Y293 PolarHBondContact O-N 2.95Å; E291-S294 WeakPolarHBondContact O-CB 3.05Å; E291-S294 PolarHBondContact O-N 3.24Å; E291-S294 VanDerWaalsContact O-N 3.08Å; E291-G295 PolarHBondContact O-N 3.47Å; E291-G295 VanDerWaalsContact O-N 3.11Å |
| 292 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.5 | -34.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F74 L270 T288 C289 G295 A296 | F74-A292 HydrophobicContact CD2-CB 3.61Å; F74-A292 HydrophobicContact CE1-CB 4.47Å; F74-A292 HydrophobicContact CE2-CB 3.44Å; F74-A292 VanDerWaalsContact CE2-CB 3.44Å; F74-A292 HydrophobicContact CG-CB 4.22Å; F74-A292 HydrophobicContact CZ-CB 3.88Å; L270-A292 HydrophobicContact CD2-CB 3.61Å; T288-A292 VanDerWaalsContact O-CB 3.25Å; T288-A292 WeakPolarHBondContact O-CB 3.33Å; T288-A292 PolarHBondContact O-N 3.45Å; C289-A292 PolarHBondContact O-N 3.14Å; A292-G295 PolarHBondContact O-N 3.26Å; A292-A296 WeakPolarHBondContact O-CB 3.39Å; A292-A296 PolarHBondContact O-N 2.95Å |
| 293 | Y | 98.9 | Very high | 98.8 | Very high | 26 Ų | 26 | 29.4 Ų | 29.4 | 10% | 0.102 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.9 | -46.4 | 175.2 | 177.9 | -99.6 | 0 | 0 | 0 | 111 | F74 Y77 F78 Q81 M92 C289 E291 G295 A296 L297 | F74-Y293 VanDerWaalsContact CE2-N 3.32Å; Y77-Y293 HydrophobicContact CE1-CG 4.35Å; F78-Y293 AromaticContact CD2-CD2 3.54Å; F78-Y293 HydrophobicContact CD2-CD2 3.54Å; F78-Y293 AromaticContact CD2-CE2 3.94Å; F78-Y293 HydrophobicContact CD2-CE2 3.94Å; F78-Y293 AromaticContact CE2-CD2 3.96Å; F78-Y293 HydrophobicContact CE2-CD2 3.96Å; F78-Y293 HydrophobicContact CE2-CE2 4.02Å; F78-Y293 HydrophobicContact CG-CD2 4.37Å; Q81-Y293 HydrophobicContact CB-CD2 3.74Å; Q81-Y293 HydrophobicContact CB-CE1 4.13Å; Q81-Y293 HydrophobicContact CB-CE2 3.26Å; Q81-Y293 HydrophobicContact CB-CG 4.37Å; Q81-Y293 VanDerWaalsContact CB-CZ 3.48Å; Q81-Y293 HydrophobicContact CG-CD1 4.34Å; Q81-Y293 HydrophobicContact CG-CD2 3.88Å; Q81-Y293 HydrophobicContact CG-CE1 4.34Å; Q81-Y293 HydrophobicContact CG-CE2 3.92Å; Q81-Y293 HydrophobicContact CG-CG 4.12Å; M92-Y293 WeakPolarHBondContact CE-OH 3.48Å; C289-Y293 WeakPolarHBondContact O-CB 3.25Å; C289-Y293 PolarHBondContact O-N 3.1Å; E291-Y293 PolarHBondContact O-N 2.95Å; Y293-G295 VanDerWaalsContact C-N 3.33Å; Y293-G295 PolarHBondContact O-N 3.41Å; Y293-A296 PolarHBondContact O-N 3.13Å; Y293-L297 HydrophobicContact CE1-CD2 3.78Å; Y293-L297 WeakPolarHBondContact O-CB 3.33Å; Y293-L297 PolarHBondContact O-N 2.95Å |
| 294 | S | 98.9 | Very high | 98.8 | Very high | 36 Ų | 36 | 23 Ų | 23 | 25% | 0.252 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -58.5 | -44.2 | 176.6 | -170.6 | 0 | 0 | 0 | 0 | 111.9 | A228 E290 E291 H298 | A228-S294 PolarHBondContact O-OG 3.47Å; A228-S294 VanDerWaalsContact O-OG 3.06Å; E290-S294 PolarHBondContact O-N 3.39Å; E291-S294 WeakPolarHBondContact O-CB 3.05Å; E291-S294 PolarHBondContact O-N 3.24Å; E291-S294 VanDerWaalsContact O-N 3.08Å; S294-H298 PolarHBondContact O-N 3.41Å |
| 295 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64.3 | -49.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | A225 E291 A292 Y293 L297 H298 I299 | A225-G295 WeakPolarHBondContact CB-O 3.29Å; E291-G295 PolarHBondContact O-N 3.47Å; E291-G295 VanDerWaalsContact O-N 3.11Å; A292-G295 PolarHBondContact O-N 3.26Å; Y293-G295 VanDerWaalsContact C-N 3.33Å; Y293-G295 PolarHBondContact O-N 3.41Å; G295-L297 PolarHBondContact O-N 3.01Å; G295-H298 WeakPolarHBondContact O-CB 3.12Å; G295-H298 PolarHBondContact O-N 2.95Å; G295-I299 WeakPolarHBondContact O-CG1 3.49Å; G295-I299 PolarHBondContact O-N 3.46Å |
| 296 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.8 | -42.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M60 F74 F78 L192 F268 A292 Y293 H298 I299 I300 | M60-A296 HydrophobicContact CE-CB 4.1Å; F74-A296 HydrophobicContact CZ-CB 4.08Å; F78-A296 HydrophobicContact CD2-CB 4.38Å; F78-A296 HydrophobicContact CE2-CB 3.96Å; L192-A296 HydrophobicContact CD1-CB 4.34Å; F268-A296 HydrophobicContact CZ-CB 4.24Å; A292-A296 WeakPolarHBondContact O-CB 3.39Å; A292-A296 PolarHBondContact O-N 2.95Å; Y293-A296 PolarHBondContact O-N 3.13Å; A296-H298 VanDerWaalsContact C-N 3.31Å; A296-H298 PolarHBondContact O-N 2.81Å; A296-I299 PolarHBondContact O-N 3.07Å; A296-I300 WeakPolarHBondContact O-CD1 3.42Å; A296-I300 VanDerWaalsContact O-CG1 3.28Å; A296-I300 WeakPolarHBondContact O-CG1 3.2Å; A296-I300 PolarHBondContact O-N 2.94Å |
| 297 | L | 98.8 | Very high | 98.5 | Very high | 37 Ų | 37 | 26.8 Ų | 26.8 | 19% | 0.194 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.3 | -36.1 | 178 | -172.5 | 65.9 | 0 | 0 | 0 | 111.9 | M92 M95 Y293 G295 I300 T301 | M92-L297 HydrophobicContact CE-CD1 3.67Å; M95-L297 HydrophobicContact CE-CD1 3.79Å; Y293-L297 HydrophobicContact CE1-CD2 3.78Å; Y293-L297 WeakPolarHBondContact O-CB 3.33Å; Y293-L297 PolarHBondContact O-N 2.95Å; G295-L297 PolarHBondContact O-N 3.01Å; L297-I300 PolarHBondContact O-N 3.48Å; L297-T301 WeakPolarHBondContact O-CB 3.34Å; L297-T301 PolarHBondContact O-N 3.01Å; L297-T301 PolarHBondContact O-OG1 3.12Å |
| 298 | H | 98.9 | Very high | 98.3 | Very high | 68 Ų | 68 | 28 Ų | 28 | 32% | 0.315 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -58.7 | -50.9 | 173.6 | -179.4 | 94.7 | 0 | 0 | 0 | 111.5 | G224 A225 A228 S294 G295 A296 I300 T301 Y302 | G224-H298 WeakPolarHBondContact CA-NE2 3.26Å; A225-H298 HydrophobicContact CB-CB 4.39Å; A225-H298 PolarHBondContact N-CD2 2.93Å; A228-H298 HydrophobicContact CB-CB 4.18Å; S294-H298 PolarHBondContact O-N 3.41Å; G295-H298 WeakPolarHBondContact O-CB 3.12Å; G295-H298 PolarHBondContact O-N 2.95Å; A296-H298 VanDerWaalsContact C-N 3.31Å; A296-H298 PolarHBondContact O-N 2.81Å; H298-I300 PolarHBondContact O-N 2.86Å; H298-T301 PolarHBondContact O-N 3.14Å; H298-Y302 WeakPolarHBondContact O-CB 3.4Å; H298-Y302 PolarHBondContact O-N 3.24Å |
| 299 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.6 | -47.6 | -179.6 | -58.5 | 176.7 | 0 | 0 | 0 | 110.4 | L192 V221 A225 L264 F266 F268 G295 A296 T301 Y302 A303 | L192-I299 HydrophobicContact CD2-CD1 4.34Å; L192-I299 HydrophobicContact CD2-CG2 4.2Å; V221-I299 HydrophobicContact CG1-CB 4.2Å; V221-I299 HydrophobicContact CG1-CG1 3.97Å; V221-I299 HydrophobicContact CG1-CG2 4.02Å; A225-I299 HydrophobicContact CB-CD1 4Å; A225-I299 HydrophobicContact CB-CG1 3.73Å; L264-I299 HydrophobicContact CB-CG2 4.44Å; L264-I299 HydrophobicContact CD1-CG2 4.4Å; F266-I299 HydrophobicContact CB-CD1 4.37Å; F266-I299 HydrophobicContact CD1-CD1 4.19Å; F266-I299 HydrophobicContact CD2-CD1 3.83Å; F266-I299 HydrophobicContact CD2-CG2 3.98Å; F266-I299 HydrophobicContact CE1-CD1 4.44Å; F266-I299 HydrophobicContact CE2-CD1 4.11Å; F266-I299 HydrophobicContact CE2-CG2 3.85Å; F266-I299 HydrophobicContact CG-CD1 3.87Å; F266-I299 HydrophobicContact CZ-CD1 4.42Å; F268-I299 HydrophobicContact CE2-CD1 3.79Å; F268-I299 HydrophobicContact CZ-CD1 3.66Å; G295-I299 WeakPolarHBondContact O-CG1 3.49Å; G295-I299 PolarHBondContact O-N 3.46Å; A296-I299 PolarHBondContact O-N 3.07Å; I299-T301 PolarHBondContact O-N 2.83Å; I299-Y302 WeakPolarHBondContact O-CB 3.3Å; I299-Y302 PolarHBondContact O-N 2.65Å; I299-A303 PolarHBondContact O-N 2.64Å |
| 300 | I | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.7 | -41 | -178.3 | -66.7 | 165.8 | 0 | 0 | 0 | 111.2 | I58 F78 M95 M99 F101 L192 A296 L297 H298 A303 H304 | I58-I300 HydrophobicContact CD1-CG1 4.42Å; I58-I300 HydrophobicContact CD1-CG2 4.17Å; I58-I300 HydrophobicContact CG1-CG2 4.08Å; I58-I300 HydrophobicContact CG2-CD1 3.92Å; I58-I300 HydrophobicContact CG2-CG1 3.95Å; F78-I300 HydrophobicContact CE2-CD1 4.1Å; F78-I300 HydrophobicContact CZ-CD1 3.56Å; M95-I300 HydrophobicContact SD-CG2 3.94Å; M99-I300 HydrophobicContact CE-CG2 3.93Å; F101-I300 HydrophobicContact CE1-CD1 4.15Å; F101-I300 HydrophobicContact CE1-CG2 3.84Å; F101-I300 HydrophobicContact CZ-CG2 4.22Å; L192-I300 HydrophobicContact CD1-CD1 4.02Å; L192-I300 HydrophobicContact CD1-CG1 4.13Å; A296-I300 WeakPolarHBondContact O-CD1 3.42Å; A296-I300 VanDerWaalsContact O-CG1 3.28Å; A296-I300 WeakPolarHBondContact O-CG1 3.2Å; A296-I300 PolarHBondContact O-N 2.94Å; L297-I300 PolarHBondContact O-N 3.48Å; H298-I300 PolarHBondContact O-N 2.86Å; I300-A303 WeakPolarHBondContact O-CB 3.44Å; I300-A303 PolarHBondContact O-N 2.7Å; I300-H304 WeakPolarHBondContact O-CB 3.25Å; I300-H304 PolarHBondContact O-N 3.01Å |
| 301 | T | 98.7 | Very high | 93.5 | Very high | 35 Ų | 35 | 33.7 Ų | 33.7 | 22% | 0.215 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.1 | -44.5 | 176.4 | -69.7 | 0 | 0 | 0 | 0 | 111.1 | L297 H298 I299 H304 D305 | L297-T301 WeakPolarHBondContact O-CB 3.34Å; L297-T301 PolarHBondContact O-N 3.01Å; L297-T301 PolarHBondContact O-OG1 3.12Å; H298-T301 PolarHBondContact O-N 3.14Å; I299-T301 PolarHBondContact O-N 2.83Å; T301-H304 PolarHBondContact O-N 3.04Å; T301-D305 PolarHBondContact O-N 2.78Å |
| 302 | Y | 98.7 | Very high | 91.2 | Very high | 67 Ų | 67 | 38.1 Ų | 38.1 | 26% | 0.263 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.3 | -46.8 | 175 | 179.3 | -88.4 | 0 | 0 | 0 | 111.5 | E217 V221 L264 H298 I299 H304 D305 K306 | E217-Y302 HydrophobicContact CG-CE1 4.31Å; E217-Y302 WeakPolarHBondContact OE1-CE1 3.4Å; E217-Y302 PolarHBondContact OE1-OH 2.93Å; V221-Y302 HydrophobicContact CG1-CD1 4.31Å; V221-Y302 HydrophobicContact CG1-CG 4.43Å; V221-Y302 HydrophobicContact CG2-CD1 3.41Å; V221-Y302 VanDerWaalsContact CG2-CD1 3.41Å; V221-Y302 HydrophobicContact CG2-CD2 4.03Å; V221-Y302 HydrophobicContact CG2-CE1 3.39Å; V221-Y302 HydrophobicContact CG2-CE2 4.01Å; V221-Y302 HydrophobicContact CG2-CG 3.75Å; L264-Y302 HydrophobicContact CD1-CD1 3.9Å; L264-Y302 HydrophobicContact CD1-CE1 4.43Å; H298-Y302 WeakPolarHBondContact O-CB 3.4Å; H298-Y302 PolarHBondContact O-N 3.24Å; I299-Y302 WeakPolarHBondContact O-CB 3.3Å; I299-Y302 PolarHBondContact O-N 2.65Å; Y302-H304 PolarHBondContact O-N 3.41Å; Y302-D305 PolarHBondContact O-N 3.1Å; Y302-K306 HydrophobicContact CE1-CD 4.11Å; Y302-K306 WeakPolarHBondContact O-CB 3.31Å; Y302-K306 PolarHBondContact O-N 3.21Å |
| 303 | A | 98.4 | Very high | 88.7 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 3% | 0.033 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.4 | -48.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L189 C190 L264 I299 I300 T307 | L189-A303 HydrophobicContact CB-CB 4.2Å; C190-A303 WeakPolarHBondContact SG-CB 3.44Å; L264-A303 HydrophobicContact CD1-CB 3.62Å; I299-A303 PolarHBondContact O-N 2.64Å; I300-A303 WeakPolarHBondContact O-CB 3.44Å; I300-A303 PolarHBondContact O-N 2.7Å; A303-T307 PolarHBondContact O-N 3.4Å; A303-T307 VanDerWaalsContact O-N 3.16Å; A303-T307 PolarHBondContact O-OG1 2.59Å |
| 304 | H | 98.1 | Very high | 86.3 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 2% | 0.023 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.6 | -53 | 176.5 | 174.2 | -81.1 | 0 | 0 | 0 | 111.5 | K91 M95 N98 M99 I300 T301 Y302 K306 T307 F308 | K91-H304 PolarHBondContact NZ-ND1 3.19Å; M95-H304 HydrophobicContact CG-CB 3.96Å; M95-H304 HydrophobicContact SD-CB 4.29Å; N98-H304 PolarHBondContact ND2-NE2 3.45Å; M99-H304 HydrophobicContact CE-CB 3.77Å; M99-H304 HydrophobicContact SD-CB 4.15Å; I300-H304 WeakPolarHBondContact O-CB 3.25Å; I300-H304 PolarHBondContact O-N 3.01Å; T301-H304 PolarHBondContact O-N 3.04Å; Y302-H304 PolarHBondContact O-N 3.41Å; H304-K306 VanDerWaalsContact C-N 3.34Å; H304-K306 PolarHBondContact O-N 3.1Å; H304-T307 PolarHBondContact O-N 3.27Å; H304-T307 VanDerWaalsContact O-N 3.16Å; H304-F308 AromaticContact CD2-CD2 3.62Å; H304-F308 AromaticContact NE2-CD2 3.94Å; H304-F308 VanDerWaalsContact O-CD2 3.31Å; H304-F308 WeakPolarHBondContact O-CD2 3.14Å; H304-F308 PolarHBondContact O-N 3.11Å |
| 305 | D | 97.7 | Very high | 83.9 | Confident | 53 Ų | 53 | 45.5 Ų | 45.5 | 28% | 0.283 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -67.3 | -37.9 | -173.3 | -69.3 | -24 | 0 | 0 | 0 | 112 | K91 T301 Y302 T307 N309 G310 | K91-D305 IonicContact NZ-OD1 3.29Å; K91-D305 PolarHBondContact NZ-OD1 2.86Å; K91-D305 IonicContact NZ-OD2 3.96Å; K91-D305 PolarHBondContact NZ-OD2 2.97Å; K91-D305 VanDerWaalsContact NZ-OD2 3.17Å; T301-D305 PolarHBondContact O-N 2.78Å; Y302-D305 PolarHBondContact O-N 3.1Å; D305-T307 VanDerWaalsContact C-N 3.29Å; D305-T307 PolarHBondContact O-N 3.32Å; D305-N309 VanDerWaalsContact CG-ND2 3.33Å; D305-N309 WeakPolarHBondContact O-CA 3.31Å; D305-N309 VanDerWaalsContact O-CB 3.26Å; D305-N309 WeakPolarHBondContact O-CB 3.19Å; D305-N309 PolarHBondContact O-N 3.36Å; D305-N309 PolarHBondContact OD1-ND2 2.89Å; D305-G310 PolarHBondContact O-N 3.13Å |
| 306 | K | 96.7 | Very high | 81.5 | Confident | 110 Ų | 110 | 47.7 Ų | 47.7 | 48% | 0.478 | 29% | 0.289 | S | S | . | . | I | π-helix | trans | -58.5 | -42.5 | 173.1 | -174.4 | 179.2 | 177.2 | -174.3 | 0 | 111.6 | E217 Y302 H304 | E217-K306 WeakPolarHBondContact OE1-CD 3.28Å; E217-K306 WeakPolarHBondContact OE1-CE 3.47Å; E217-K306 IonicContact OE1-NZ 3.97Å; E217-K306 PolarHBondContact OE1-NZ 2.93Å; E217-K306 IonicContact OE2-NZ 3.81Å; E217-K306 PolarHBondContact OE2-NZ 3.05Å; Y302-K306 HydrophobicContact CE1-CD 4.11Å; Y302-K306 WeakPolarHBondContact O-CB 3.31Å; Y302-K306 PolarHBondContact O-N 3.21Å; H304-K306 VanDerWaalsContact C-N 3.34Å; H304-K306 PolarHBondContact O-N 3.1Å |
| 307 | T | 96.4 | Very high | 79.2 | Confident | 47 Ų | 47 | 50.3 Ų | 50.3 | 29% | 0.288 | 31% | 0.311 | S | S | . | . | I | π-helix | trans | -79.8 | -44.2 | -177 | -61.5 | 0 | 0 | 0 | 0 | 113.4 | K56 L189 A303 H304 D305 | K56-T307 HydrophobicContact CG-CG2 4.37Å; L189-T307 HydrophobicContact CD1-CG2 4.18Å; L189-T307 WeakPolarHBondContact CD1-OG1 3.24Å; L189-T307 HydrophobicContact CD2-CG2 4.41Å; A303-T307 PolarHBondContact O-N 3.4Å; A303-T307 VanDerWaalsContact O-N 3.16Å; A303-T307 PolarHBondContact O-OG1 2.59Å; H304-T307 PolarHBondContact O-N 3.27Å; H304-T307 VanDerWaalsContact O-N 3.16Å; D305-T307 VanDerWaalsContact C-N 3.29Å; D305-T307 PolarHBondContact O-N 3.32Å |
| 308 | F | 94.4 | Very high | 76.9 | Confident | 51 Ų | 51 | 51 Ų | 51 | 22% | 0.224 | 32% | 0.322 | C | S | . | . | I | π-helix | trans | -102 | -25.8 | -168.2 | -63.3 | -78.2 | 0 | 0 | 0 | 113.7 | K56 N98 M99 L189 H304 | K56-F308 HydrophobicContact CB-CE2 4.3Å; K56-F308 HydrophobicContact CB-CZ 3.97Å; K56-F308 HydrophobicContact CG-CE2 4.29Å; K56-F308 HydrophobicContact CG-CZ 3.71Å; N98-F308 HydrophobicContact CB-CD1 4.03Å; N98-F308 HydrophobicContact CB-CD2 3.95Å; N98-F308 HydrophobicContact CB-CE1 3.8Å; N98-F308 HydrophobicContact CB-CE2 3.75Å; N98-F308 HydrophobicContact CB-CG 4.11Å; N98-F308 HydrophobicContact CB-CZ 3.67Å; M99-F308 HydrophobicContact CG-CE2 3.78Å; M99-F308 HydrophobicContact CG-CZ 4.29Å; M99-F308 HydrophobicContact SD-CE2 4.1Å; L189-F308 HydrophobicContact CD1-CE2 4.23Å; H304-F308 AromaticContact CD2-CD2 3.62Å; H304-F308 AromaticContact NE2-CD2 3.94Å; H304-F308 VanDerWaalsContact O-CD2 3.31Å; H304-F308 WeakPolarHBondContact O-CD2 3.14Å; H304-F308 PolarHBondContact O-N 3.11Å |
| 309 | N | 84.9 | Confident | 74.7 | Confident | 82 Ų | 82 | 51.6 Ų | 51.6 | 44% | 0.439 | 33% | 0.331 | S | S | . | . | I | π-helix | trans | -95.2 | -22.4 | 174.9 | -55.1 | -13.2 | 0 | 0 | 0 | 112.1 | D305 A311 T312 | D305-N309 VanDerWaalsContact CG-ND2 3.33Å; D305-N309 WeakPolarHBondContact O-CA 3.31Å; D305-N309 VanDerWaalsContact O-CB 3.26Å; D305-N309 WeakPolarHBondContact O-CB 3.19Å; D305-N309 PolarHBondContact O-N 3.36Å; D305-N309 PolarHBondContact OD1-ND2 2.89Å; N309-A311 PolarHBondContact O-N 2.85Å; N309-T312 PolarHBondContact O-OG1 3.21Å |
| 310 | G | 59.8 | Low | 72.3 | Confident | 35 Ų | 35 | 60.2 Ų | 60.2 | 36% | 0.361 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.5 | -30.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D305 T314 | D305-G310 PolarHBondContact O-N 3.13Å; G310-T314 PolarHBondContact O-N 2.79Å; G310-T314 PolarHBondContact O-OG1 3.07Å |
| 311 | A | 51.7 | Low | 70.3 | Confident | 52 Ų | 52 | 64.6 Ų | 64.6 | 43% | 0.43 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -72 | -33.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | N309 T314 A315 | N309-A311 PolarHBondContact O-N 2.85Å; A311-T314 WeakPolarHBondContact CA-OG1 3.37Å; A311-T314 PolarHBondContact O-OG1 2.88Å; A311-A315 VanDerWaalsContact O-CB 3.3Å; A311-A315 WeakPolarHBondContact O-CB 3.41Å; A311-A315 PolarHBondContact O-N 3.33Å |
| 312 | T | 49.6 | Very low | 68.3 | Low | 93 Ų | 93 | 66.8 Ų | 66.8 | 57% | 0.571 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -72.8 | -34.9 | 177.5 | 53.2 | 0 | 0 | 0 | 0 | 112 | N309 A316 | N309-T312 PolarHBondContact O-OG1 3.21Å; T312-A316 VanDerWaalsContact O-CB 3.22Å; T312-A316 WeakPolarHBondContact O-CB 3.23Å; T312-A316 PolarHBondContact O-N 3.47Å |
| 313 | A | 47 | Very low | 66.3 | Low | 65 Ų | 65 | 68.4 Ų | 68.4 | 54% | 0.537 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.4 | -38.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A317 | A313-A317 VanDerWaalsContact O-CB 3.29Å; A313-A317 WeakPolarHBondContact O-CB 3.42Å; A313-A317 PolarHBondContact O-N 3.44Å |
| 314 | T | 48.1 | Very low | 64.3 | Low | 95 Ų | 95 | 73.7 Ų | 73.7 | 58% | 0.583 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -74.5 | -38.9 | 177.3 | 33.1 | 0 | 0 | 0 | 0 | 112.5 | G310 A311 A317 A318 | G310-T314 PolarHBondContact O-N 2.79Å; G310-T314 PolarHBondContact O-OG1 3.07Å; A311-T314 WeakPolarHBondContact CA-OG1 3.37Å; A311-T314 PolarHBondContact O-OG1 2.88Å; T314-A317 PolarHBondContact O-N 2.76Å; T314-A318 WeakPolarHBondContact O-CB 3.41Å; T314-A318 PolarHBondContact O-N 2.58Å |
| 315 | A | 49.3 | Very low | 62.3 | Low | 56 Ų | 56 | 76.3 Ų | 76.3 | 46% | 0.463 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A311 A318 V319 | A311-A315 VanDerWaalsContact O-CB 3.3Å; A311-A315 WeakPolarHBondContact O-CB 3.41Å; A311-A315 PolarHBondContact O-N 3.33Å; A315-A318 PolarHBondContact O-N 2.75Å; A315-V319 VanDerWaalsContact O-CG2 3.32Å; A315-V319 WeakPolarHBondContact O-CG2 3.5Å; A315-V319 PolarHBondContact O-N 2.98Å |
| 316 | A | 48.3 | Very low | 60.3 | Low | 46 Ų | 46 | 78.9 Ų | 78.9 | 38% | 0.38 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.2 | -48.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | T312 A318 V319 W320 | T312-A316 VanDerWaalsContact O-CB 3.22Å; T312-A316 WeakPolarHBondContact O-CB 3.23Å; T312-A316 PolarHBondContact O-N 3.47Å; A316-A318 VanDerWaalsContact C-N 3.28Å; A316-A318 PolarHBondContact O-N 2.86Å; A316-V319 PolarHBondContact O-N 2.66Å; A316-V319 VanDerWaalsContact O-N 3.15Å; A316-W320 PolarHBondContact O-N 3.21Å |
| 317 | A | 49.1 | Very low | 58.1 | Low | 55 Ų | 55 | 75.3 Ų | 75.3 | 46% | 0.455 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.9 | -35.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A313 T314 T321 | A313-A317 VanDerWaalsContact O-CB 3.29Å; A313-A317 WeakPolarHBondContact O-CB 3.42Å; A313-A317 PolarHBondContact O-N 3.44Å; T314-A317 PolarHBondContact O-N 2.76Å; A317-T321 PolarHBondContact O-N 2.75Å; A317-T321 PolarHBondContact O-OG1 2.79Å |
| 318 | A | 50.4 | Low | 55.9 | Low | 52 Ų | 52 | 77.2 Ų | 77.2 | 43% | 0.43 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.8 | -37 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | T314 A315 A316 T321 T322 | T314-A318 WeakPolarHBondContact O-CB 3.41Å; T314-A318 PolarHBondContact O-N 2.58Å; A315-A318 PolarHBondContact O-N 2.75Å; A316-A318 VanDerWaalsContact C-N 3.28Å; A316-A318 PolarHBondContact O-N 2.86Å; A318-T321 WeakPolarHBondContact CA-OG1 3.49Å; A318-T321 PolarHBondContact O-OG1 3.15Å; A318-T321 VanDerWaalsContact O-OG1 3.09Å; A318-T322 PolarHBondContact O-N 2.72Å; A318-T322 VanDerWaalsContact O-N 3.11Å; A318-T322 PolarHBondContact O-OG1 3.05Å |
| 319 | V | 53.9 | Low | 53.7 | Low | 81 Ų | 81 | 80 Ų | 80 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.1 | -40 | 174.6 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | A315 A316 T322 L323 | A315-V319 VanDerWaalsContact O-CG2 3.32Å; A315-V319 WeakPolarHBondContact O-CG2 3.5Å; A315-V319 PolarHBondContact O-N 2.98Å; A316-V319 PolarHBondContact O-N 2.66Å; A316-V319 VanDerWaalsContact O-N 3.15Å; V319-T322 WeakPolarHBondContact CA-OG1 3.49Å; V319-T322 PolarHBondContact O-N 3.19Å; V319-T322 PolarHBondContact O-OG1 3.43Å; V319-L323 HydrophobicContact CG1-CD1 3.87Å; V319-L323 HydrophobicContact CG1-CG 4.48Å; V319-L323 WeakPolarHBondContact O-CB 2.88Å; V319-L323 VanDerWaalsContact O-CG 3.29Å; V319-L323 WeakPolarHBondContact O-CG 2.87Å; V319-L323 PolarHBondContact O-N 2.77Å |
| 320 | W | 48.7 | Very low | 51.9 | Low | 180 Ų | 180 | 83 Ų | 83 | 68% | 0.682 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.6 | -39.1 | 176.2 | -79 | 103.5 | 0 | 0 | 0 | 112.7 | A316 L324 | A316-W320 PolarHBondContact O-N 3.21Å; W320-L324 WeakPolarHBondContact O-CB 3.41Å; W320-L324 PolarHBondContact O-N 2.87Å |
| 321 | T | 55.7 | Low | 51.3 | Low | 93 Ų | 93 | 89.6 Ų | 89.6 | 57% | 0.571 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -70 | -36.4 | 176.8 | 37.5 | 0 | 0 | 0 | 0 | 113 | A317 A318 A325 | A317-T321 PolarHBondContact O-N 2.75Å; A317-T321 PolarHBondContact O-OG1 2.79Å; A318-T321 WeakPolarHBondContact CA-OG1 3.49Å; A318-T321 PolarHBondContact O-OG1 3.15Å; A318-T321 VanDerWaalsContact O-OG1 3.09Å; T321-A325 WeakPolarHBondContact O-CB 3.38Å; T321-A325 PolarHBondContact O-N 3.34Å |
| 322 | T | 57 | Low | 51 | Low | 80 Ų | 80 | 93.4 Ų | 93.4 | 49% | 0.491 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70 | -38.2 | 173.5 | 40.9 | 0 | 0 | 0 | 0 | 112.5 | A318 V319 A325 L326 | A318-T322 PolarHBondContact O-N 2.72Å; A318-T322 VanDerWaalsContact O-N 3.11Å; A318-T322 PolarHBondContact O-OG1 3.05Å; V319-T322 WeakPolarHBondContact CA-OG1 3.49Å; V319-T322 PolarHBondContact O-N 3.19Å; V319-T322 PolarHBondContact O-OG1 3.43Å; T322-A325 PolarHBondContact O-N 2.94Å; T322-L326 WeakPolarHBondContact O-CB 3.11Å; T322-L326 WeakPolarHBondContact O-CG 3.39Å; T322-L326 PolarHBondContact O-N 3.35Å |
| 323 | L | 56.3 | Low | 50.6 | Low | 101 Ų | 101 | 101.4 Ų | 101.4 | 53% | 0.529 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.1 | -38.9 | 173.8 | -74.8 | 167.9 | 0 | 0 | 0 | 112.7 | V319 L326 G327 | V319-L323 HydrophobicContact CG1-CD1 3.87Å; V319-L323 HydrophobicContact CG1-CG 4.48Å; V319-L323 WeakPolarHBondContact O-CB 2.88Å; V319-L323 VanDerWaalsContact O-CG 3.29Å; V319-L323 WeakPolarHBondContact O-CG 2.87Å; V319-L323 PolarHBondContact O-N 2.77Å; L323-L326 PolarHBondContact O-N 2.01Å; L323-G327 PolarHBondContact O-N 2.75Å |
| 324 | L | 57.6 | Low | 50.8 | Low | 115 Ų | 115 | 103.3 Ų | 103.3 | 60% | 0.602 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.1 | -43.1 | 172.6 | -97.8 | 146.9 | 0 | 0 | 0 | 111.9 | W320 L326 G327 V328 | W320-L324 WeakPolarHBondContact O-CB 3.41Å; W320-L324 PolarHBondContact O-N 2.87Å; L324-L326 VanDerWaalsContact C-N 3.34Å; L324-L326 PolarHBondContact O-N 3.38Å; L324-G327 PolarHBondContact O-N 3.09Å; L324-V328 VanDerWaalsContact O-CG2 3.28Å; L324-V328 WeakPolarHBondContact O-CG2 3.1Å; L324-V328 PolarHBondContact O-N 3.22Å |
| 325 | A | 55.3 | Low | 51 | Low | 61 Ų | 61 | 103.7 Ų | 103.7 | 50% | 0.504 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.2 | -37.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T321 T322 N329 | T321-A325 WeakPolarHBondContact O-CB 3.38Å; T321-A325 PolarHBondContact O-N 3.34Å; T322-A325 PolarHBondContact O-N 2.94Å; A325-N329 PolarHBondContact O-N 3.28Å |
| 326 | L | 55.3 | Low | 51.1 | Low | 106 Ų | 106 | 106.3 Ų | 106.3 | 56% | 0.555 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -73.3 | -37.8 | 175 | -72.9 | 165.2 | 0 | 0 | 0 | 112.3 | T322 L323 L324 N329 L330 | T322-L326 WeakPolarHBondContact O-CB 3.11Å; T322-L326 WeakPolarHBondContact O-CG 3.39Å; T322-L326 PolarHBondContact O-N 3.35Å; L323-L326 PolarHBondContact O-N 2.01Å; L324-L326 VanDerWaalsContact C-N 3.34Å; L324-L326 PolarHBondContact O-N 3.38Å; L326-N329 PolarHBondContact O-N 3.47Å; L326-L330 WeakPolarHBondContact O-CD1 3.23Å; L326-L330 PolarHBondContact O-N 2.85Å |
| 327 | G | 51.2 | Low | 51.2 | Low | 36 Ų | 36 | 109.9 Ų | 109.9 | 37% | 0.371 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.4 | -33.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | L323 L324 L330 | L323-G327 PolarHBondContact O-N 2.75Å; L324-G327 PolarHBondContact O-N 3.09Å; G327-L330 PolarHBondContact O-N 2.66Å |
| 328 | V | 50.8 | Low | 51.4 | Low | 86 Ų | 86 | 113.3 Ų | 113.3 | 52% | 0.521 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -71.8 | -31.8 | 175.3 | 174.9 | 0 | 0 | 0 | 0 | 111.7 | L324 | L324-V328 VanDerWaalsContact O-CG2 3.28Å; L324-V328 WeakPolarHBondContact O-CG2 3.1Å; L324-V328 PolarHBondContact O-N 3.22Å |
| 329 | N | 47.6 | Very low | 51.4 | Low | 111 Ų | 111 | 117.4 Ų | 117.4 | 59% | 0.594 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -74 | -23.3 | 175.5 | -97.1 | -17.3 | 0 | 0 | 0 | 113.9 | A325 L326 | A325-N329 PolarHBondContact O-N 3.28Å; L326-N329 PolarHBondContact O-N 3.47Å |
| 330 | L | 46.7 | Very low | 51.2 | Low | 145 Ų | 145 | 120 Ų | 120 | 76% | 0.759 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -10.6 | 176.5 | -96.8 | 117.6 | 0 | 0 | 0 | 114.2 | L326 G327 | L326-L330 WeakPolarHBondContact O-CD1 3.23Å; L326-L330 PolarHBondContact O-N 2.85Å; G327-L330 PolarHBondContact O-N 2.66Å |
| 331 | M | 47 | Very low | 51.4 | Low | 173 Ų | 173 | 115.4 Ų | 115.4 | 85% | 0.852 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 5.5 | 175.6 | -72.2 | -169.7 | -177.7 | 0 | 0 | 113.9 | ||
| 332 | L | 46.5 | Very low | 51.1 | Low | 131 Ų | 131 | 117.3 Ų | 117.3 | 69% | 0.686 | 63% | 0.634 | S | S | * | * | trans | -110 | 19.3 | -176.8 | -83.7 | 165.4 | 0 | 0 | 0 | 114.6 | ||||
| 333 | F | 41.6 | Very low | 50.5 | Low | 262 Ų | 262 | 120.6 Ų | 120.6 | 100% | 1.149 | 65% | 0.647 | S | S | * | * | trans | -125 | 0 | 171.9 | -79.9 | -77.5 | 0 | 0 | 0 | 112.7 |
Retrieved 333 of 333 residues in 755.6 ms
(Link to these results)