| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 67.4 | Low | 87.2 | Confident | 167 Ų | 167 | 45.8 Ų | 45.8 | 82% | 0.823 | 24% | 0.244 | S | C | * | . | 0 | 125.9 | 0 | -77.6 | -173.3 | -73.2 | 0 | 0 | 105.5 | D321 | M1-D321 PolarHBondContact N-OD2 2.88Š| |||
| 2 | H | 82.9 | Confident | 87.1 | Confident | 7 Ų | 7 | 52.3 Ų | 52.3 | 3% | 0.032 | 27% | 0.272 | C | S | . | . | trans | -109.8 | 156.7 | -179.4 | 71.8 | -74.5 | 0 | 0 | 0 | 109.9 | A4 Y256 V276 Q314 Q317 L318 | H2-A4 PolarHBondContact O-N 2.95Å; H2-Y256 PolarHBondContact NE2-OH 3.14Å; H2-Y256 VanDerWaalsContact NE2-OH 3.1Å; H2-V276 WeakPolarHBondContact CE1-CG1 3.31Å; H2-Q314 PolarHBondContact NE2-OE1 3.25Å; H2-Q317 HydrophobicContact CB-CB 3.81Å; H2-L318 WeakPolarHBondContact ND1-CD2 3.41Å | ||
| 3 | D | 86.9 | Confident | 86.8 | Confident | 84 Ų | 84 | 60.7 Ų | 60.7 | 45% | 0.449 | 31% | 0.305 | S | S | . | . | trans | -85.4 | 113.7 | 179.2 | -66.4 | -51.4 | 0 | 0 | 0 | 109.7 | Q277 V309 | D3-Q277 PolarHBondContact OD1-NE2 3.24Å; D3-V309 HydrophobicContact CB-CG2 4.2Å; D3-V309 WeakPolarHBondContact O-CB 3.48Å; D3-V309 WeakPolarHBondContact O-CG2 3.47Å | ||
| 4 | A | 88.9 | Confident | 86.9 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -88.7 | -36.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | H2 Y256 I267 V276 Q277 P308 V309 Q314 | H2-A4 PolarHBondContact O-N 2.95Å; A4-Y256 HydrophobicContact CB-CD2 4.37Å; A4-Y256 HydrophobicContact CB-CE1 4.35Å; A4-Y256 HydrophobicContact CB-CE2 3.93Å; A4-I267 HydrophobicContact CB-CG2 4.36Å; A4-V276 HydrophobicContact CB-CG1 3.6Å; A4-Q277 VanDerWaalsContact N-OE1 3.16Å; A4-P308 WeakPolarHBondContact O-CA 3.09Å; A4-V309 PolarHBondContact O-N 3.03Å; A4-Q314 PolarHBondContact O-NE2 2.87Å | ||
| 5 | F | 91.8 | Very high | 86.8 | Confident | 5 Ų | 5 | 61.5 Ų | 61.5 | 2% | 0.022 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 145.3 | -178.3 | -64.8 | -88.9 | 0 | 0 | 0 | 112.3 | Q253 Y256 I258 I267 Q277 I279 I295 L306 I307 P308 | F5-Q253 HydrophobicContact CZ-CG 4.41Å; F5-Y256 AromaticContact CE2-CD2 3.84Å; F5-Y256 HydrophobicContact CE2-CD2 3.84Å; F5-Y256 HydrophobicContact CE2-CG 4.26Å; F5-Y256 HydrophobicContact CZ-CD2 4.19Å; F5-I258 HydrophobicContact CD2-CD1 4.21Å; F5-I258 HydrophobicContact CE1-CD1 4.37Å; F5-I258 HydrophobicContact CE2-CD1 3.68Å; F5-I258 HydrophobicContact CE2-CG1 4.42Å; F5-I258 HydrophobicContact CZ-CD1 3.77Å; F5-I267 HydrophobicContact CB-CD1 4.24Å; F5-I267 HydrophobicContact CD2-CD1 3.7Å; F5-I267 HydrophobicContact CD2-CG1 4.19Å; F5-I267 HydrophobicContact CD2-CG2 4.29Å; F5-I267 HydrophobicContact CE2-CG2 4.21Å; F5-I267 HydrophobicContact CG-CD1 4.39Å; F5-Q277 PolarHBondContact O-NE2 2.89Å; F5-Q277 PolarHBondContact O-OE1 2.87Å; F5-Q277 VanDerWaalsContact O-OE1 3.09Å; F5-I279 HydrophobicContact CB-CD1 4.06Å; F5-I295 HydrophobicContact CE1-CD1 3.91Å; F5-I295 HydrophobicContact CZ-CD1 3.99Å; F5-L306 HydrophobicContact CB-CB 4.1Å; F5-L306 HydrophobicContact CD1-CB 3.81Å; F5-L306 HydrophobicContact CG-CB 4.16Å; F5-I307 CarbonylContact C-O 3.58Å; F5-I307 VanDerWaalsContact CA-O 3.24Å; F5-I307 WeakPolarHBondContact CA-O 3.3Å; F5-P308 HydrophobicContact CD1-CB 4.17Å; F5-P308 HydrophobicContact CE1-CB 3.93Å |
| 6 | E | 90.6 | Very high | 86.9 | Confident | 88 Ų | 88 | 60 Ų | 60 | 41% | 0.411 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121.5 | 169.5 | -171.4 | -175.1 | 178.5 | 0 | 0 | 109.2 | N60 I307 | E6-N60 PolarHBondContact OE2-ND2 3.01Å; E6-I307 PolarHBondContact N-O 3.29Å; E6-I307 PolarHBondContact O-N 2.56Å |
| 7 | P | 91 | Very high | 87.1 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 31% | 0.312 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 124.1 | 177.4 | 32.9 | -35.8 | 0 | 0 | 0 | 111 | I279 L281 L306 | P7-I279 HydrophobicContact CB-CG2 3.78Å; P7-I279 HydrophobicContact CG-CG2 3.54Å; P7-L281 HydrophobicContact CB-CD2 4.03Å; P7-L306 HydrophobicContact CB-CD2 4.07Å |
| 8 | V | 90.9 | Very high | 87.4 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 10% | 0.097 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 125.7 | 173.6 | 177 | 0 | 0 | 0 | 0 | 110.2 | I10 N60 F62 W304 R305 I307 | V8-I10 HydrophobicContact CG1-CD1 4.49Å; V8-I10 PolarHBondContact O-N 3.35Å; V8-N60 WeakPolarHBondContact CG1-O 3.26Å; V8-N60 HydrophobicContact CG2-CB 3.95Å; V8-F62 HydrophobicContact CB-CD2 4.46Å; V8-F62 HydrophobicContact CB-CE2 4.09Å; V8-F62 HydrophobicContact CG1-CD2 3.78Å; V8-F62 HydrophobicContact CG1-CE2 3.88Å; V8-W304 CarbonylContact O-C 3.55Å; V8-W304 VanDerWaalsContact O-CA 3.27Å; V8-W304 WeakPolarHBondContact O-CA 3.4Å; V8-R305 PolarHBondContact N-O 3.36Å; V8-R305 PolarHBondContact O-N 3.5Å; V8-I307 HydrophobicContact CB-CD1 4.17Å; V8-I307 HydrophobicContact CG2-CD1 3.44Å; V8-I307 VanDerWaalsContact CG2-CD1 3.44Å; V8-I307 HydrophobicContact CG2-CG1 4.12Å |
| 9 | P | 89.6 | Confident | 87.6 | Confident | 58 Ų | 58 | 54.4 Ų | 54.4 | 38% | 0.377 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 129.6 | 174.8 | 28.2 | -32.8 | 0 | 0 | 0 | 110.4 | E12 | P9-E12 HydrophobicContact CB-CG 3.96Å; P9-E12 VanDerWaalsContact CB-OE1 3.29Å; P9-E12 WeakPolarHBondContact CB-OE1 3.1Å; P9-E12 WeakPolarHBondContact CG-OE1 3.49Å |
| 10 | I | 90.6 | Very high | 87.7 | Confident | 15 Ų | 15 | 52.2 Ų | 52.2 | 8% | 0.077 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | -48.8 | 177.9 | -59.4 | -56.7 | 0 | 0 | 0 | 110.2 | V8 I42 F62 V64 Y296 V303 R305 | V8-I10 HydrophobicContact CG1-CD1 4.49Å; V8-I10 PolarHBondContact O-N 3.35Å; I10-I42 HydrophobicContact CD1-CG2 4.2Å; I10-I42 HydrophobicContact CG2-CD1 3.64Å; I10-I42 HydrophobicContact CG2-CG1 3.95Å; I10-I42 HydrophobicContact CG2-CG2 4.49Å; I10-F62 HydrophobicContact CD1-CB 3.98Å; I10-F62 HydrophobicContact CD1-CD2 3.38Å; I10-F62 HydrophobicContact CD1-CE2 4Å; I10-F62 HydrophobicContact CD1-CG 3.8Å; I10-V64 HydrophobicContact CG2-CG1 4.04Å; I10-V64 HydrophobicContact CG2-CG2 3.63Å; I10-Y296 HydrophobicContact CG1-CE1 4.25Å; I10-V303 PolarHBondContact N-O 2.83Å; I10-R305 HydrophobicContact CD1-CB 3.79Å; I10-R305 HydrophobicContact CG1-CB 3.6Å |
| 11 | L | 88.7 | Confident | 88 | Confident | 16 Ų | 16 | 50.6 Ų | 50.6 | 8% | 0.084 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 124.3 | 175.9 | -62.2 | 175.4 | 0 | 0 | 0 | 108.6 | L28 V30 Y40 V64 F302 V303 | L11-L28 HydrophobicContact CD1-CD2 4.37Å; L11-V30 HydrophobicContact CD1-CG2 4.14Å; L11-Y40 HydrophobicContact CD1-CD2 3.9Å; L11-Y40 HydrophobicContact CD1-CE1 4.32Å; L11-Y40 HydrophobicContact CD1-CE2 3.61Å; L11-Y40 HydrophobicContact CD1-CG 4.36Å; L11-Y40 HydrophobicContact CD2-CD1 3.92Å; L11-Y40 HydrophobicContact CD2-CE1 3.56Å; L11-Y40 HydrophobicContact CD2-CE2 4.37Å; L11-Y40 HydrophobicContact CD2-CG 4.44Å; L11-V64 HydrophobicContact CD2-CG1 3.83Å; L11-F302 CarbonylContact O-C 3.52Å; L11-F302 VanDerWaalsContact O-CA 3.26Å; L11-F302 WeakPolarHBondContact O-CA 3.37Å; L11-V303 HydrophobicContact CB-CB 3.99Å; L11-V303 HydrophobicContact CB-CG2 4.08Å; L11-V303 HydrophobicContact CD1-CB 4.3Å; L11-V303 HydrophobicContact CD1-CG2 3.88Å; L11-V303 HydrophobicContact CG-CB 4.32Å; L11-V303 HydrophobicContact CG-CG2 4.38Å; L11-V303 PolarHBondContact N-O 3.18Å; L11-V303 VanDerWaalsContact N-O 3.07Å; L11-V303 PolarHBondContact O-N 3.19Å |
| 12 | E | 86.1 | Confident | 89.2 | Confident | 123 Ų | 123 | 42.9 Ų | 42.9 | 58% | 0.575 | 23% | 0.226 | S | C | * | . | trans | -115.2 | 135.3 | 176.8 | -62 | -170.1 | 161.5 | 0 | 0 | 110.5 | P9 L14 F302 | P9-E12 HydrophobicContact CB-CG 3.96Å; P9-E12 VanDerWaalsContact CB-OE1 3.29Å; P9-E12 WeakPolarHBondContact CB-OE1 3.1Å; P9-E12 WeakPolarHBondContact CG-OE1 3.49Å; E12-L14 VanDerWaalsContact C-N 3.32Å; E12-L14 PolarHBondContact O-N 2.88Å; E12-F302 HydrophobicContact CB-CD1 4.11Å; E12-F302 HydrophobicContact CB-CE1 4.04Å; E12-F302 HydrophobicContact CG-CD1 4.24Å; E12-F302 HydrophobicContact CG-CE1 4.4Å | ||
| 13 | K | 83.7 | Confident | 89.6 | Confident | 162 Ų | 162 | 43 Ų | 43 | 70% | 0.704 | 23% | 0.229 | S | C | * | . | S | Bend | trans | 54.3 | 44.5 | 172.7 | -56.5 | 175 | -178.5 | 171.1 | 0 | 113.3 | H301 F302 | K13-H301 PolarHBondContact N-O 2.71Å; K13-F302 HydrophobicContact CG-CE1 3.96Å; K13-F302 HydrophobicContact CG-CZ 3.78Å |
| 14 | L | 87.4 | Confident | 89.8 | Confident | 16 Ų | 16 | 39.7 Ų | 39.7 | 8% | 0.084 | 21% | 0.21 | C | C | . | . | trans | -57.9 | 125.2 | 174.2 | -170.1 | 75.5 | 0 | 0 | 0 | 109.3 | E12 L16 I18 V30 L38 Y40 H301 | E12-L14 VanDerWaalsContact C-N 3.32Å; E12-L14 PolarHBondContact O-N 2.88Å; L14-L16 HydrophobicContact CD2-CB 4.35Å; L14-L16 HydrophobicContact CG-CB 4.42Å; L14-L16 PolarHBondContact O-N 3.27Å; L14-I18 HydrophobicContact CD2-CD1 4.13Å; L14-I18 HydrophobicContact CD2-CG1 3.77Å; L14-V30 HydrophobicContact CD2-CG1 4.25Å; L14-L38 HydrophobicContact CD1-CD1 4.21Å; L14-L38 HydrophobicContact CD2-CD1 4.33Å; L14-Y40 WeakPolarHBondContact CD1-OH 3.44Å; L14-H301 PolarHBondContact N-O 2.94Å; L14-H301 PolarHBondContact O-ND1 3.37Å | ||
| 15 | P | 85.4 | Confident | 89.7 | Confident | 118 Ų | 118 | 45.2 Ų | 45.2 | 77% | 0.766 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -69.2 | -21.1 | -177.3 | 26.6 | -34.4 | 0 | 0 | 0 | 112.7 | ||
| 16 | L | 88.2 | Confident | 89.5 | Confident | 37 Ų | 37 | 48.6 Ų | 48.6 | 19% | 0.194 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -91.7 | 147.4 | 176.4 | -59.3 | 172.5 | 0 | 0 | 0 | 110 | L14 T32 Q34 H36 L38 | L14-L16 HydrophobicContact CD2-CB 4.35Å; L14-L16 HydrophobicContact CG-CB 4.42Å; L14-L16 PolarHBondContact O-N 3.27Å; L16-T32 HydrophobicContact CB-CG2 3.7Å; L16-T32 HydrophobicContact CD1-CG2 4.13Å; L16-Q34 HydrophobicContact CD2-CB 4.35Å; L16-Q34 HydrophobicContact CD2-CG 4.12Å; L16-H36 HydrophobicContact CD1-CB 4.22Å; L16-H36 VanDerWaalsContact CD1-ND1 3.29Å; L16-H36 WeakPolarHBondContact CD1-ND1 3.47Å; L16-L38 HydrophobicContact CD1-CD1 4.23Å |
| 17 | Q | 90.7 | Very high | 89.5 | Confident | 45 Ų | 45 | 46.7 Ų | 46.7 | 21% | 0.21 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -86.6 | 120.6 | -178.8 | -178 | 173.6 | 19.7 | 0 | 0 | 109.1 | T32 K33 Q34 N300 | Q17-T32 CarbonylContact O-C 3.52Å; Q17-T32 VanDerWaalsContact O-CA 3.23Å; Q17-T32 WeakPolarHBondContact O-CA 3.23Å; Q17-T32 WeakPolarHBondContact O-CB 3.47Å; Q17-K33 HydrophobicContact CB-CB 4.22Å; Q17-K33 HydrophobicContact CG-CB 4.5Å; Q17-K33 PolarHBondContact O-N 3.34Å; Q17-Q34 VanDerWaalsContact N-OE1 3.12Å; Q17-N300 WeakPolarHBondContact CA-O 3.5Å; Q17-N300 HydrophobicContact CG-CB 4.2Å |
| 18 | I | 92.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 132.9 | 175.9 | -54.5 | 177.3 | 0 | 0 | 0 | 109.2 | L14 L21 V30 F286 A298 N300 V303 | L14-I18 HydrophobicContact CD2-CD1 4.13Å; L14-I18 HydrophobicContact CD2-CG1 3.77Å; I18-L21 HydrophobicContact CG2-CD2 3.88Å; I18-L21 HydrophobicContact CG2-CG 4.17Å; I18-V30 HydrophobicContact CB-CG1 4.34Å; I18-V30 HydrophobicContact CD1-CG1 4.1Å; I18-V30 HydrophobicContact CG1-CG1 3.73Å; I18-V30 HydrophobicContact CG2-CG1 3.99Å; I18-F286 HydrophobicContact CG2-CD2 4.18Å; I18-F286 HydrophobicContact CG2-CE2 4.26Å; I18-F286 WeakPolarHBondContact O-CE2 3.4Å; I18-A298 HydrophobicContact CD1-CB 4.3Å; I18-N300 PolarHBondContact N-O 3.19Å; I18-V303 HydrophobicContact CD1-CG2 3.48Å; I18-V303 VanDerWaalsContact CD1-CG2 3.48Å |
| 19 | D | 90.8 | Very high | 89.7 | Confident | 28 Ų | 28 | 43.7 Ų | 43.7 | 15% | 0.15 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | -29.2 | 176.6 | -155.3 | 81.6 | 0 | 0 | 0 | 112.4 | G31 K33 K76 F286 | D19-G31 PolarHBondContact N-O 3.03Å; D19-K33 HydrophobicContact CB-CB 4.46Å; D19-K76 WeakPolarHBondContact OD1-CE 3.08Å; D19-K76 IonicContact OD1-NZ 3.87Å; D19-K76 PolarHBondContact OD1-NZ 3.04Å; D19-K76 WeakPolarHBondContact OD2-CE 3.44Å; D19-K76 IonicContact OD2-NZ 3Å; D19-K76 PolarHBondContact OD2-NZ 3.38Å; D19-F286 WeakPolarHBondContact O-CE1 3.47Å; D19-F286 WeakPolarHBondContact O-CZ 3.49Å |
| 20 | C | 91.1 | Very high | 89.8 | Confident | 11 Ų | 11 | 40.9 Ų | 40.9 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 156.6 | 173.9 | 61.9 | 0 | 0 | 0 | 0 | 111.8 | G31 I80 | C20-G31 PolarHBondContact N-O 3.18Å; C20-G31 PolarHBondContact O-N 2.8Å; C20-I80 HydrophobicContact CB-CG1 4.23Å |
| 21 | L | 93.4 | Very high | 89.9 | Confident | 18 Ų | 18 | 40.2 Ų | 40.2 | 9% | 0.094 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 151.6 | 177.7 | -66 | 179.2 | 0 | 0 | 0 | 110.7 | I18 L28 L29 V30 F286 T288 A298 | I18-L21 HydrophobicContact CG2-CD2 3.88Å; I18-L21 HydrophobicContact CG2-CG 4.17Å; L21-L28 HydrophobicContact CD2-CD1 4.42Å; L21-L29 WeakPolarHBondContact CA-O 2.74Å; L21-V30 HydrophobicContact CD2-CB 4.15Å; L21-V30 HydrophobicContact CD2-CG1 4.04Å; L21-V30 HydrophobicContact CD2-CG2 3.79Å; L21-F286 HydrophobicContact CD1-CB 4.29Å; L21-T288 HydrophobicContact CB-CG2 3.73Å; L21-T288 HydrophobicContact CD1-CG2 4.29Å; L21-A298 HydrophobicContact CD1-CB 3.42Å; L21-A298 VanDerWaalsContact CD1-CB 3.42Å; L21-A298 HydrophobicContact CG-CB 4.35Å |
| 22 | A | 92.5 | Very high | 90 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 150.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | L29 I80 V82 | A22-L29 PolarHBondContact N-O 3.49Å; A22-L29 VanDerWaalsContact N-O 3.1Å; A22-L29 WeakPolarHBondContact O-CA 3.39Å; A22-L29 WeakPolarHBondContact O-CB 3.47Å; A22-L29 PolarHBondContact O-N 2.7Å; A22-I80 HydrophobicContact CB-CD1 3.88Å; A22-I80 HydrophobicContact CB-CG1 3.86Å; A22-V82 HydrophobicContact CB-CB 4.47Å; A22-V82 HydrophobicContact CB-CG2 3.69Å |
| 23 | A | 91.8 | Very high | 90.1 | Very high | 10 Ų | 10 | 38.5 Ų | 38.5 | 8% | 0.083 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 155 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | W27 L28 T288 Y296 | A23-W27 VanDerWaalsContact CA-O 3.26Å; A23-W27 WeakPolarHBondContact CA-O 3Å; A23-W27 WeakPolarHBondContact CB-O 3.48Å; A23-L28 HydrophobicContact CB-CD1 4.16Å; A23-T288 HydrophobicContact CB-CG2 4.4Å; A23-Y296 HydrophobicContact CB-CD2 3.68Å; A23-Y296 HydrophobicContact CB-CE2 3.72Å |
| 24 | W | 91.2 | Very high | 90.2 | Very high | 14 Ų | 14 | 35 Ų | 35 | 5% | 0.053 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 131.2 | 165.2 | 76.1 | 97.9 | 0 | 0 | 0 | 108.6 | E26 W27 L29 L39 V82 L102 G290 | W24-E26 PolarHBondContact O-N 3.38Å; W24-W27 HydrophobicContact CD2-CB 3.67Å; W24-W27 HydrophobicContact CD2-CG 4.28Å; W24-W27 VanDerWaalsContact CE2-CB 3.46Å; W24-W27 AromaticContact CE2-CD1 3.57Å; W24-W27 AromaticContact CE2-CG 3.6Å; W24-W27 HydrophobicContact CE3-CB 3.74Å; W24-W27 HydrophobicContact CG-CB 4.46Å; W24-W27 HydrophobicContact CH2-CB 3.56Å; W24-W27 HydrophobicContact CH2-CG 4.05Å; W24-W27 HydrophobicContact CZ2-CB 3.42Å; W24-W27 VanDerWaalsContact CZ2-CB 3.42Å; W24-W27 AromaticContact CZ2-CD1 3.8Å; W24-W27 HydrophobicContact CZ2-CD2 4.1Å; W24-W27 AromaticContact CZ2-CG 3.48Å; W24-W27 HydrophobicContact CZ2-CG 3.48Å; W24-W27 VanDerWaalsContact CZ2-CG 3.48Å; W24-W27 HydrophobicContact CZ3-CB 3.68Å; W24-W27 PolarHBondContact N-O 3.38Å; W24-W27 AromaticContact NE1-CD1 3.35Å; W24-W27 AromaticContact NE1-CG 3.89Å; W24-W27 WeakPolarHBondContact O-CA 3.49Å; W24-W27 WeakPolarHBondContact O-CB 3.4Å; W24-W27 PolarHBondContact O-N 3.23Å; W24-L29 HydrophobicContact CE3-CD1 4.44Å; W24-L29 HydrophobicContact CH2-CD1 4.21Å; W24-L29 HydrophobicContact CH2-CG 4.36Å; W24-L29 HydrophobicContact CZ3-CD1 3.52Å; W24-L29 HydrophobicContact CZ3-CG 3.72Å; W24-L39 HydrophobicContact CH2-CD1 3.47Å; W24-L39 VanDerWaalsContact CH2-CD1 3.47Å; W24-L39 HydrophobicContact CZ2-CD1 4.4Å; W24-L39 HydrophobicContact CZ3-CD1 3.97Å; W24-V82 HydrophobicContact CB-CG1 4.01Å; W24-V82 HydrophobicContact CD2-CG1 3.97Å; W24-V82 HydrophobicContact CE3-CB 4.4Å; W24-V82 HydrophobicContact CE3-CG1 3.81Å; W24-V82 HydrophobicContact CE3-CG2 3.92Å; W24-V82 HydrophobicContact CG-CG1 4.07Å; W24-V82 HydrophobicContact CZ3-CG2 4.2Å; W24-L102 HydrophobicContact CD2-CD2 4.14Å; W24-L102 HydrophobicContact CE3-CD1 4.19Å; W24-L102 HydrophobicContact CH2-CD1 3.76Å; W24-L102 HydrophobicContact CH2-CD2 4.45Å; W24-L102 HydrophobicContact CH2-CG 3.98Å; W24-L102 HydrophobicContact CZ2-CD1 4.17Å; W24-L102 HydrophobicContact CZ2-CD2 4.03Å; W24-L102 HydrophobicContact CZ2-CG 3.9Å; W24-L102 HydrophobicContact CZ3-CD1 3.8Å; W24-L102 HydrophobicContact CZ3-CG 4.42Å; W24-G290 CarbonylContact C-O 3.56Å; W24-G290 WeakPolarHBondContact CA-O 3.49Å |
| 25 | E | 85.6 | Confident | 90.1 | Very high | 117 Ų | 117 | 34.2 Ų | 34.2 | 55% | 0.547 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | -121.4 | -179.4 | -57.4 | 174.9 | 179.7 | 0 | 0 | 111.9 | W27 G290 I294 | E25-W27 VanDerWaalsContact C-N 3.32Å; E25-G290 PolarHBondContact N-O 2.84Å; E25-I294 WeakPolarHBondContact O-CD1 3.25Å |
| 26 | E | 88 | Confident | 90.3 | Very high | 76 Ų | 76 | 30.6 Ų | 30.6 | 36% | 0.355 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -1.3 | 177.8 | -58.8 | -171.5 | 155.3 | 0 | 0 | 113.8 | W24 R41 I42 R43 | W24-E26 PolarHBondContact O-N 3.38Å; E26-R41 IonicContact OE2-CZ 3.77Å; E26-R41 IonicContact OE2-NE 2.68Å; E26-R41 PolarHBondContact OE2-NE 3Å; E26-R41 IonicContact OE2-NH2 3.58Å; E26-R41 PolarHBondContact OE2-NH2 2.96Å; E26-I42 PolarHBondContact O-N 3.13Å; E26-R43 IonicContact OE2-NE 2.65Å |
| 27 | W | 91.1 | Very high | 90.4 | Very high | 48 Ų | 48 | 28.8 Ų | 28.8 | 18% | 0.182 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 133.8 | -169.8 | -58.6 | 93.5 | 0 | 0 | 0 | 111.6 | A23 W24 E25 L39 Y40 R41 E67 | A23-W27 VanDerWaalsContact CA-O 3.26Å; A23-W27 WeakPolarHBondContact CA-O 3Å; A23-W27 WeakPolarHBondContact CB-O 3.48Å; W24-W27 HydrophobicContact CD2-CB 3.67Å; W24-W27 HydrophobicContact CD2-CG 4.28Å; W24-W27 VanDerWaalsContact CE2-CB 3.46Å; W24-W27 AromaticContact CE2-CD1 3.57Å; W24-W27 AromaticContact CE2-CG 3.6Å; W24-W27 HydrophobicContact CE3-CB 3.74Å; W24-W27 HydrophobicContact CG-CB 4.46Å; W24-W27 HydrophobicContact CH2-CB 3.56Å; W24-W27 HydrophobicContact CH2-CG 4.05Å; W24-W27 HydrophobicContact CZ2-CB 3.42Å; W24-W27 VanDerWaalsContact CZ2-CB 3.42Å; W24-W27 AromaticContact CZ2-CD1 3.8Å; W24-W27 HydrophobicContact CZ2-CD2 4.1Å; W24-W27 AromaticContact CZ2-CG 3.48Å; W24-W27 HydrophobicContact CZ2-CG 3.48Å; W24-W27 VanDerWaalsContact CZ2-CG 3.48Å; W24-W27 HydrophobicContact CZ3-CB 3.68Å; W24-W27 PolarHBondContact N-O 3.38Å; W24-W27 AromaticContact NE1-CD1 3.35Å; W24-W27 AromaticContact NE1-CG 3.89Å; W24-W27 WeakPolarHBondContact O-CA 3.49Å; W24-W27 WeakPolarHBondContact O-CB 3.4Å; W24-W27 PolarHBondContact O-N 3.23Å; E25-W27 VanDerWaalsContact C-N 3.32Å; W27-L39 HydrophobicContact CB-CD1 4.22Å; W27-L39 HydrophobicContact CE3-CD1 3.77Å; W27-L39 HydrophobicContact CE3-CD2 3.91Å; W27-L39 HydrophobicContact CE3-CG 3.8Å; W27-L39 HydrophobicContact CZ3-CD2 3.87Å; W27-L39 HydrophobicContact CZ3-CG 4.09Å; W27-Y40 WeakPolarHBondContact CA-O 3.22Å; W27-R41 HydrophobicContact CE3-CB 3.91Å; W27-R41 HydrophobicContact CE3-CG 4.34Å; W27-R41 HydrophobicContact CH2-CB 4.2Å; W27-R41 HydrophobicContact CH2-CG 4.25Å; W27-R41 HydrophobicContact CZ2-CG 4.38Å; W27-R41 HydrophobicContact CZ3-CB 3.78Å; W27-R41 HydrophobicContact CZ3-CG 4.25Å; W27-E67 HydrophobicContact CH2-CG 4.21Å; W27-E67 HydrophobicContact CZ3-CB 4.02Å; W27-E67 HydrophobicContact CZ3-CG 3.7Å |
| 28 | L | 92.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 122.3 | 176.2 | 175.8 | 70.9 | 0 | 0 | 0 | 109.7 | L11 L21 A23 V30 Y40 I42 Y296 V303 | L11-L28 HydrophobicContact CD1-CD2 4.37Å; L21-L28 HydrophobicContact CD2-CD1 4.42Å; A23-L28 HydrophobicContact CB-CD1 4.16Å; L28-V30 HydrophobicContact CD2-CG2 4.06Å; L28-V30 HydrophobicContact CG-CG2 4.05Å; L28-Y40 PolarHBondContact N-O 2.68Å; L28-Y40 PolarHBondContact O-N 3.4Å; L28-I42 HydrophobicContact CB-CD1 3.53Å; L28-I42 HydrophobicContact CB-CG1 4.47Å; L28-I42 HydrophobicContact CD2-CD1 3.81Å; L28-I42 HydrophobicContact CG-CD1 4.28Å; L28-Y296 HydrophobicContact CD1-CD1 4.49Å; L28-Y296 HydrophobicContact CD1-CD2 3.98Å; L28-Y296 HydrophobicContact CD1-CE2 4.37Å; L28-Y296 HydrophobicContact CD1-CG 4.05Å; L28-V303 HydrophobicContact CD2-CG1 3.91Å |
| 29 | L | 92.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 127.1 | 170.3 | -78.8 | 167.8 | 0 | 0 | 0 | 110.6 | L21 A22 W24 L37 L38 L39 I80 V82 L89 L102 F105 | L21-L29 WeakPolarHBondContact CA-O 2.74Å; A22-L29 PolarHBondContact N-O 3.49Å; A22-L29 VanDerWaalsContact N-O 3.1Å; A22-L29 WeakPolarHBondContact O-CA 3.39Å; A22-L29 WeakPolarHBondContact O-CB 3.47Å; A22-L29 PolarHBondContact O-N 2.7Å; W24-L29 HydrophobicContact CE3-CD1 4.44Å; W24-L29 HydrophobicContact CH2-CD1 4.21Å; W24-L29 HydrophobicContact CH2-CG 4.36Å; W24-L29 HydrophobicContact CZ3-CD1 3.52Å; W24-L29 HydrophobicContact CZ3-CG 3.72Å; L29-L37 HydrophobicContact CB-CD1 4.49Å; L29-L37 HydrophobicContact CD2-CD1 4.03Å; L29-L37 HydrophobicContact CD2-CD2 4.07Å; L29-L37 HydrophobicContact CD2-CG 3.89Å; L29-L38 WeakPolarHBondContact CA-O 3.29Å; L29-L39 HydrophobicContact CD2-CB 4Å; L29-L39 HydrophobicContact CD2-CD1 3.72Å; L29-L39 HydrophobicContact CD2-CG 4.46Å; L29-L39 HydrophobicContact CG-CD1 3.94Å; L29-I80 HydrophobicContact CB-CD1 4.02Å; L29-V82 HydrophobicContact CD1-CG2 3.72Å; L29-L89 HydrophobicContact CD1-CD1 3.89Å; L29-L89 HydrophobicContact CD1-CD2 4.22Å; L29-L102 HydrophobicContact CD1-CD1 4.22Å; L29-F105 HydrophobicContact CD2-CE1 4.01Å; L29-F105 HydrophobicContact CD2-CZ 3.73Å |
| 30 | V | 92.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 110.8 | 176.3 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | L11 L14 I18 L21 L28 T32 L38 Y40 | L11-V30 HydrophobicContact CD1-CG2 4.14Å; L14-V30 HydrophobicContact CD2-CG1 4.25Å; I18-V30 HydrophobicContact CB-CG1 4.34Å; I18-V30 HydrophobicContact CD1-CG1 4.1Å; I18-V30 HydrophobicContact CG1-CG1 3.73Å; I18-V30 HydrophobicContact CG2-CG1 3.99Å; L21-V30 HydrophobicContact CD2-CB 4.15Å; L21-V30 HydrophobicContact CD2-CG1 4.04Å; L21-V30 HydrophobicContact CD2-CG2 3.79Å; L28-V30 HydrophobicContact CD2-CG2 4.06Å; L28-V30 HydrophobicContact CG-CG2 4.05Å; V30-T32 HydrophobicContact CG1-CG2 4.41Å; V30-L38 HydrophobicContact CB-CB 4.3Å; V30-L38 PolarHBondContact N-O 3.26Å; V30-L38 PolarHBondContact O-N 2.91Å; V30-Y40 HydrophobicContact CB-CE2 4.49Å; V30-Y40 HydrophobicContact CG2-CD2 3.97Å; V30-Y40 HydrophobicContact CG2-CE2 4.03Å |
| 31 | G | 92.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 125.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | D19 C20 | D19-G31 PolarHBondContact N-O 3.03Å; C20-G31 PolarHBondContact N-O 3.18Å; C20-G31 PolarHBondContact O-N 2.8Å |
| 32 | T | 90.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 152.6 | -175.8 | 64.6 | 0 | 0 | 0 | 0 | 112 | L16 Q17 V30 Q34 G35 H36 L38 | L16-T32 HydrophobicContact CB-CG2 3.7Å; L16-T32 HydrophobicContact CD1-CG2 4.13Å; Q17-T32 CarbonylContact O-C 3.52Å; Q17-T32 VanDerWaalsContact O-CA 3.23Å; Q17-T32 WeakPolarHBondContact O-CA 3.23Å; Q17-T32 WeakPolarHBondContact O-CB 3.47Å; V30-T32 HydrophobicContact CG1-CG2 4.41Å; T32-Q34 PolarHBondContact O-N 2.65Å; T32-G35 PolarHBondContact O-N 2.94Å; T32-H36 PolarHBondContact N-O 3.41Å; T32-H36 WeakPolarHBondContact OG1-CA 3.42Å; T32-H36 WeakPolarHBondContact OG1-CB 3.22Å; T32-H36 PolarHBondContact OG1-N 2.85Å; T32-H36 PolarHBondContact OG1-O 3.38Å; T32-L38 HydrophobicContact CG2-CD1 4.28Å |
| 33 | K | 88 | Confident | 90 | Very high | 104 Ų | 104 | 33 Ų | 33 | 45% | 0.452 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -30 | 176.4 | -172.9 | 179.2 | 177.8 | -178.8 | 0 | 112.5 | Q17 D19 G35 K76 | Q17-K33 HydrophobicContact CB-CB 4.22Å; Q17-K33 HydrophobicContact CG-CB 4.5Å; Q17-K33 PolarHBondContact O-N 3.34Å; D19-K33 HydrophobicContact CB-CB 4.46Å; K33-G35 PolarHBondContact O-N 2.65Å; K33-K76 HydrophobicContact CG-CD 4.37Å; K33-K76 HydrophobicContact CG-CG 4.37Å; K33-K76 WeakPolarHBondContact O-CA 3.38Å |
| 34 | Q | 86.4 | Confident | 89.5 | Confident | 87 Ų | 87 | 38 Ų | 38 | 41% | 0.407 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -5.3 | 177 | -62.8 | 82.2 | 5.7 | 0 | 0 | 113.5 | L16 Q17 T32 | L16-Q34 HydrophobicContact CD2-CB 4.35Å; L16-Q34 HydrophobicContact CD2-CG 4.12Å; Q17-Q34 VanDerWaalsContact N-OE1 3.12Å; T32-Q34 PolarHBondContact O-N 2.65Å |
| 35 | G | 85.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 83.9 | 25.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115 | T32 K33 F73 S74 K75 | T32-G35 PolarHBondContact O-N 2.94Å; K33-G35 PolarHBondContact O-N 2.65Å; G35-F73 WeakPolarHBondContact O-CB 3.32Å; G35-S74 PolarHBondContact O-N 3.27Å; G35-K75 WeakPolarHBondContact CA-O 3.21Å |
| 36 | H | 89.4 | Confident | 87.1 | Confident | 42 Ų | 42 | 41.1 Ų | 41.1 | 19% | 0.194 | 19% | 0.19 | C | C | . | . | trans | -97.5 | 136.4 | 166.2 | -55.4 | 162.3 | 0 | 0 | 0 | 110 | L16 T32 L38 | L16-H36 HydrophobicContact CD1-CB 4.22Å; L16-H36 VanDerWaalsContact CD1-ND1 3.29Å; L16-H36 WeakPolarHBondContact CD1-ND1 3.47Å; T32-H36 PolarHBondContact N-O 3.41Å; T32-H36 WeakPolarHBondContact OG1-CA 3.42Å; T32-H36 WeakPolarHBondContact OG1-CB 3.22Å; T32-H36 PolarHBondContact OG1-N 2.85Å; T32-H36 PolarHBondContact OG1-O 3.38Å; H36-L38 HydrophobicContact CB-CD2 4.38Å | ||
| 37 | L | 90.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 115.7 | 167.7 | -172.9 | 70.3 | 0 | 0 | 0 | 108.5 | L29 N70 F73 I77 I80 L89 F105 | L29-L37 HydrophobicContact CB-CD1 4.49Å; L29-L37 HydrophobicContact CD2-CD1 4.03Å; L29-L37 HydrophobicContact CD2-CD2 4.07Å; L29-L37 HydrophobicContact CD2-CG 3.89Å; L37-N70 PolarHBondContact N-O 2.81Å; L37-N70 PolarHBondContact O-N 3.21Å; L37-F73 HydrophobicContact CB-CD2 3.79Å; L37-F73 HydrophobicContact CB-CE2 3.81Å; L37-F73 HydrophobicContact CB-CG 4.44Å; L37-F73 HydrophobicContact CB-CZ 4.46Å; L37-F73 HydrophobicContact CD2-CD2 4.41Å; L37-F73 HydrophobicContact CD2-CE1 4.44Å; L37-F73 HydrophobicContact CD2-CE2 3.6Å; L37-F73 HydrophobicContact CD2-CZ 3.63Å; L37-F73 HydrophobicContact CG-CE2 4.36Å; L37-I77 HydrophobicContact CB-CD1 3.98Å; L37-I77 HydrophobicContact CD1-CD1 4.17Å; L37-I80 HydrophobicContact CD1-CD1 4.29Å; L37-L89 HydrophobicContact CD2-CD2 3.61Å; L37-F105 HydrophobicContact CD2-CD1 3.98Å; L37-F105 HydrophobicContact CD2-CE1 3.92Å; L37-F105 HydrophobicContact CD2-CG 4.39Å; L37-F105 HydrophobicContact CD2-CZ 4.26Å |
| 38 | L | 91.4 | Very high | 83.4 | Confident | 7 Ų | 7 | 44.3 Ų | 44.3 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 128.4 | -179.4 | -52.7 | 175.7 | 0 | 0 | 0 | 109.4 | L14 L16 L29 V30 T32 H36 Y40 L66 | L14-L38 HydrophobicContact CD1-CD1 4.21Å; L14-L38 HydrophobicContact CD2-CD1 4.33Å; L16-L38 HydrophobicContact CD1-CD1 4.23Å; L29-L38 WeakPolarHBondContact CA-O 3.29Å; V30-L38 HydrophobicContact CB-CB 4.3Å; V30-L38 PolarHBondContact N-O 3.26Å; V30-L38 PolarHBondContact O-N 2.91Å; T32-L38 HydrophobicContact CG2-CD1 4.28Å; H36-L38 HydrophobicContact CB-CD2 4.38Å; L38-Y40 HydrophobicContact CB-CD2 4.19Å; L38-Y40 HydrophobicContact CB-CE2 3.59Å; L38-Y40 HydrophobicContact CD1-CE2 3.98Å; L38-Y40 HydrophobicContact CG-CE2 4.45Å; L38-L66 HydrophobicContact CB-CD1 4.04Å; L38-L66 HydrophobicContact CD2-CD1 4.39Å |
| 39 | L | 91.9 | Very high | 81.2 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 113 | 174.5 | 179.4 | 65.3 | 0 | 0 | 0 | 109.3 | W24 W27 L29 E67 K68 F105 | W24-L39 HydrophobicContact CH2-CD1 3.47Å; W24-L39 VanDerWaalsContact CH2-CD1 3.47Å; W24-L39 HydrophobicContact CZ2-CD1 4.4Å; W24-L39 HydrophobicContact CZ3-CD1 3.97Å; W27-L39 HydrophobicContact CB-CD1 4.22Å; W27-L39 HydrophobicContact CE3-CD1 3.77Å; W27-L39 HydrophobicContact CE3-CD2 3.91Å; W27-L39 HydrophobicContact CE3-CG 3.8Å; W27-L39 HydrophobicContact CZ3-CD2 3.87Å; W27-L39 HydrophobicContact CZ3-CG 4.09Å; L29-L39 HydrophobicContact CD2-CB 4Å; L29-L39 HydrophobicContact CD2-CD1 3.72Å; L29-L39 HydrophobicContact CD2-CG 4.46Å; L29-L39 HydrophobicContact CG-CD1 3.94Å; L39-E67 PolarHBondContact O-N 3.2Å; L39-K68 HydrophobicContact CB-CB 4.15Å; L39-K68 HydrophobicContact CD2-CB 4.48Å; L39-K68 HydrophobicContact CD2-CD 4.44Å; L39-K68 HydrophobicContact CD2-CG 4.49Å; L39-K68 PolarHBondContact N-O 3.04Å; L39-K68 PolarHBondContact O-N 2.84Å; L39-F105 HydrophobicContact CB-CE2 4.2Å; L39-F105 HydrophobicContact CB-CZ 3.99Å; L39-F105 HydrophobicContact CD2-CE2 4.28Å; L39-F105 HydrophobicContact CD2-CZ 3.96Å; L39-F105 HydrophobicContact CG-CZ 4.38Å |
| 40 | Y | 92.1 | Very high | 78.9 | Confident | 21 Ų | 21 | 53.7 Ų | 53.7 | 8% | 0.082 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 144.1 | 173.3 | -67.6 | -87.2 | 0 | 0 | 0 | 110.4 | L11 L14 W27 L28 V30 L38 V64 T65 L66 | L11-Y40 HydrophobicContact CD1-CD2 3.9Å; L11-Y40 HydrophobicContact CD1-CE1 4.32Å; L11-Y40 HydrophobicContact CD1-CE2 3.61Å; L11-Y40 HydrophobicContact CD1-CG 4.36Å; L11-Y40 HydrophobicContact CD2-CD1 3.92Å; L11-Y40 HydrophobicContact CD2-CE1 3.56Å; L11-Y40 HydrophobicContact CD2-CE2 4.37Å; L11-Y40 HydrophobicContact CD2-CG 4.44Å; L14-Y40 WeakPolarHBondContact CD1-OH 3.44Å; W27-Y40 WeakPolarHBondContact CA-O 3.22Å; L28-Y40 PolarHBondContact N-O 2.68Å; L28-Y40 PolarHBondContact O-N 3.4Å; V30-Y40 HydrophobicContact CB-CE2 4.49Å; V30-Y40 HydrophobicContact CG2-CD2 3.97Å; V30-Y40 HydrophobicContact CG2-CE2 4.03Å; L38-Y40 HydrophobicContact CB-CD2 4.19Å; L38-Y40 HydrophobicContact CB-CE2 3.59Å; L38-Y40 HydrophobicContact CD1-CE2 3.98Å; L38-Y40 HydrophobicContact CG-CE2 4.45Å; Y40-V64 HydrophobicContact CD1-CG1 3.86Å; Y40-T65 CarbonylContact C-O 3.56Å; Y40-T65 VanDerWaalsContact CA-O 3.29Å; Y40-T65 WeakPolarHBondContact CA-O 3.3Å; Y40-L66 HydrophobicContact CD1-CB 4.02Å; Y40-L66 HydrophobicContact CD1-CD1 4.09Å; Y40-L66 HydrophobicContact CD2-CD1 4.35Å; Y40-L66 HydrophobicContact CE1-CB 3.75Å; Y40-L66 HydrophobicContact CE1-CD1 3.75Å; Y40-L66 HydrophobicContact CE1-CG 4.26Å; Y40-L66 HydrophobicContact CE2-CD1 4.03Å; Y40-L66 HydrophobicContact CG-CD1 4.38Å |
| 41 | R | 91.1 | Very high | 76.7 | Confident | 58 Ų | 58 | 59.6 Ų | 59.6 | 22% | 0.219 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 129.9 | 165.2 | -174.6 | -179 | -172.7 | 158.1 | 9 | 108.8 | E26 W27 R43 V64 T65 E67 | E26-R41 IonicContact OE2-CZ 3.77Å; E26-R41 IonicContact OE2-NE 2.68Å; E26-R41 PolarHBondContact OE2-NE 3Å; E26-R41 IonicContact OE2-NH2 3.58Å; E26-R41 PolarHBondContact OE2-NH2 2.96Å; W27-R41 HydrophobicContact CE3-CB 3.91Å; W27-R41 HydrophobicContact CE3-CG 4.34Å; W27-R41 HydrophobicContact CH2-CB 4.2Å; W27-R41 HydrophobicContact CH2-CG 4.25Å; W27-R41 HydrophobicContact CZ2-CG 4.38Å; W27-R41 HydrophobicContact CZ3-CB 3.78Å; W27-R41 HydrophobicContact CZ3-CG 4.25Å; R41-R43 HydrophobicContact CG-CG 4.41Å; R41-R43 VanDerWaalsContact CZ-NE 3.25Å; R41-R43 VanDerWaalsContact NE-NE 3.13Å; R41-V64 WeakPolarHBondContact O-CA 3.41Å; R41-T65 PolarHBondContact N-O 2.8Å; R41-T65 PolarHBondContact O-N 2.54Å; R41-E67 HydrophobicContact CB-CG 3.78Å |
| 42 | I | 90.4 | Very high | 74.1 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 100.5 | -173.4 | -58.2 | 166.9 | 0 | 0 | 0 | 107.6 | I10 E26 L28 F62 V64 Y296 | I10-I42 HydrophobicContact CD1-CG2 4.2Å; I10-I42 HydrophobicContact CG2-CD1 3.64Å; I10-I42 HydrophobicContact CG2-CG1 3.95Å; I10-I42 HydrophobicContact CG2-CG2 4.49Å; E26-I42 PolarHBondContact O-N 3.13Å; L28-I42 HydrophobicContact CB-CD1 3.53Å; L28-I42 HydrophobicContact CB-CG1 4.47Å; L28-I42 HydrophobicContact CD2-CD1 3.81Å; L28-I42 HydrophobicContact CG-CD1 4.28Å; I42-F62 HydrophobicContact CG2-CB 3.99Å; I42-F62 HydrophobicContact CG2-CD1 3.8Å; I42-F62 HydrophobicContact CG2-CG 4Å; I42-V64 HydrophobicContact CG1-CG1 4.48Å; I42-Y296 HydrophobicContact CD1-CE1 3.53Å; I42-Y296 VanDerWaalsContact CD1-OH 3.28Å; I42-Y296 WeakPolarHBondContact CD1-OH 3.39Å |
| 43 | R | 85.4 | Confident | 71.8 | Confident | 103 Ų | 103 | 66.3 Ų | 66.3 | 39% | 0.389 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 141.7 | 176 | -73 | 179.5 | 168.5 | 168.8 | -5.9 | 110.1 | E26 R41 F62 E63 | E26-R43 IonicContact OE2-NE 2.65Å; R41-R43 HydrophobicContact CG-CG 4.41Å; R41-R43 VanDerWaalsContact CZ-NE 3.25Å; R41-R43 VanDerWaalsContact NE-NE 3.13Å; R43-F62 CarbonylContact O-C 3.55Å; R43-F62 VanDerWaalsContact O-CA 3.24Å; R43-F62 WeakPolarHBondContact O-CA 3.22Å; R43-F62 WeakPolarHBondContact O-CB 3.36Å; R43-F62 WeakPolarHBondContact O-CD1 3.31Å; R43-E63 HydrophobicContact CB-CB 4.43Å; R43-E63 PolarHBondContact N-O 3.28Å; R43-E63 PolarHBondContact O-N 2.92Å |
| 44 | K | 79.8 | Confident | 69.7 | Low | 116 Ų | 116 | 67.9 Ų | 67.9 | 50% | 0.504 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 125.5 | 172.5 | -168.7 | 173.5 | -177 | 175 | 0 | 108.5 | V46 F62 | K44-V46 PolarHBondContact O-N 2.67Å; K44-F62 HydrophobicContact CB-CD1 4.09Å; K44-F62 HydrophobicContact CB-CE1 3.9Å; K44-F62 HydrophobicContact CG-CD1 4.41Å; K44-F62 HydrophobicContact CG-CE1 4.01Å |
| 45 | D | 68.9 | Low | 67.5 | Low | 68 Ų | 68 | 72.9 Ų | 72.9 | 36% | 0.364 | 43% | 0.43 | S | S | . | . | trans | -66.2 | 108.3 | 172 | -86 | -30.5 | 0 | 0 | 0 | 108.3 | V47 R61 | D45-V47 PolarHBondContact O-N 2.88Å; D45-R61 HydrophobicContact CB-CB 4.33Å; D45-R61 WeakPolarHBondContact CB-O 3.44Å; D45-R61 PolarHBondContact N-O 2.8Å | ||
| 46 | V | 58.3 | Low | 65.2 | Low | 128 Ų | 128 | 76.2 Ų | 76.2 | 78% | 0.776 | 45% | 0.453 | S | S | * | . | trans | -86.8 | 88.7 | 170.3 | -172.9 | 0 | 0 | 0 | 0 | 106.9 | K44 P48 | K44-V46 PolarHBondContact O-N 2.67Å; V46-P48 WeakPolarHBondContact O-CD 3.44Å | ||
| 47 | V | 53.5 | Low | 62.9 | Low | 101 Ų | 101 | 77.2 Ų | 77.2 | 61% | 0.612 | 48% | 0.475 | S | S | * | . | trans | -66.7 | 123.1 | 168.9 | -173.7 | 0 | 0 | 0 | 0 | 107.6 | D45 A49 | D45-V47 PolarHBondContact O-N 2.88Å; V47-A49 PolarHBondContact O-N 2.88Å | ||
| 48 | P | 47.6 | Very low | 60.7 | Low | 91 Ų | 91 | 81.9 Ų | 81.9 | 59% | 0.591 | 51% | 0.508 | S | S | * | . | trans | -60.5 | 134 | 175.9 | -20.8 | 31.8 | 0 | 0 | 0 | 110.4 | V46 A50 V51 | V46-P48 WeakPolarHBondContact O-CD 3.44Å; P48-A50 PolarHBondContact O-N 3Å; P48-V51 PolarHBondContact O-N 2.8Å | ||
| 49 | A | 46.7 | Very low | 58.8 | Low | 99 Ų | 99 | 85.5 Ų | 85.5 | 82% | 0.818 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -5.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | V47 | V47-A49 PolarHBondContact O-N 2.88Š|
| 50 | A | 43.9 | Very low | 57.5 | Low | 98 Ų | 98 | 86.3 Ų | 86.3 | 81% | 0.81 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | P48 | P48-A50 PolarHBondContact O-N 3Š|
| 51 | V | 46.9 | Very low | 56.5 | Low | 123 Ų | 123 | 93.1 Ų | 93.1 | 75% | 0.745 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -124.5 | 4.9 | -175.6 | -156.1 | 0 | 0 | 0 | 0 | 113.1 | P48 S53 | P48-V51 PolarHBondContact O-N 2.8Å; V51-S53 PolarHBondContact O-N 2.76Å |
| 52 | A | 38.6 | Very low | 56.2 | Low | 70 Ų | 70 | 91.7 Ų | 91.7 | 58% | 0.579 | 56% | 0.558 | S | S | * | * | trans | -84.7 | 111 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 53 | S | 40.8 | Very low | 55.9 | Low | 72 Ų | 72 | 96 Ų | 96 | 50% | 0.503 | 58% | 0.579 | S | S | . | * | trans | -66 | 147.6 | 165.2 | 49.2 | 0 | 0 | 0 | 0 | 110.8 | V51 E55 S56 | V51-S53 PolarHBondContact O-N 2.76Å; S53-E55 PolarHBondContact O-N 2.62Å; S53-S56 PolarHBondContact O-N 2.81Å; S53-S56 PolarHBondContact O-OG 2.82Å | ||
| 54 | P | 44.8 | Very low | 56.1 | Low | 137 Ų | 137 | 93.3 Ų | 93.3 | 89% | 0.89 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -9.5 | -175.2 | -18.1 | 30.7 | 0 | 0 | 0 | 115.4 | ||
| 55 | E | 40.4 | Very low | 56.5 | Low | 192 Ų | 192 | 89.9 Ų | 89.9 | 90% | 0.897 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -3.6 | -175 | -62.9 | -172.5 | 171.2 | 0 | 0 | 114.2 | S53 | S53-E55 PolarHBondContact O-N 2.62Š|
| 56 | S | 36.9 | Very low | 57.6 | Low | 69 Ų | 69 | 91 Ų | 91 | 48% | 0.483 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -100.8 | 104.3 | 173.4 | 56.3 | 0 | 0 | 0 | 0 | 110.1 | S53 | S53-S56 PolarHBondContact O-N 2.81Å; S53-S56 PolarHBondContact O-OG 2.82Å |
| 57 | G | 40.3 | Very low | 59 | Low | 64 Ų | 64 | 89.4 Ų | 89.4 | 66% | 0.66 | 55% | 0.552 | S | S | * | * | trans | -50.5 | 146 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | C59 | G57-C59 PolarHBondContact O-N 3Š| ||
| 58 | S | 44.7 | Very low | 60.6 | Low | 97 Ų | 97 | 89.1 Ų | 89.1 | 68% | 0.678 | 54% | 0.542 | S | S | * | . | trans | -34.6 | 95.9 | 176.3 | 161.1 | 0 | 0 | 0 | 0 | 111.5 | N60 | S58-N60 PolarHBondContact O-N 2.93Š| ||
| 59 | C | 51.9 | Low | 62.5 | Low | 83 Ų | 83 | 87.6 Ų | 87.6 | 56% | 0.561 | 53% | 0.533 | S | S | * | . | trans | -80.6 | 93.7 | -176 | -155.7 | 0 | 0 | 0 | 0 | 107 | G57 R61 | G57-C59 PolarHBondContact O-N 3Å; C59-R61 HydrophobicContact CB-CG 4.23Å; C59-R61 PolarHBondContact O-N 3.24Å; C59-R61 VanDerWaalsContact SG-CD 3.51Å; C59-R61 WeakPolarHBondContact SG-CG 3.39Å | ||
| 60 | N | 63.8 | Low | 64.3 | Low | 22 Ų | 22 | 84 Ų | 84 | 12% | 0.118 | 50% | 0.5 | C | S | . | . | trans | -67.7 | 70.9 | 173.3 | -83.9 | -36.5 | 0 | 0 | 0 | 109.8 | E6 V8 S58 I307 | E6-N60 PolarHBondContact OE2-ND2 3.01Å; V8-N60 WeakPolarHBondContact CG1-O 3.26Å; V8-N60 HydrophobicContact CG2-CB 3.95Å; S58-N60 PolarHBondContact O-N 2.93Å; N60-I307 HydrophobicContact CB-CD1 3.44Å; N60-I307 VanDerWaalsContact CB-CD1 3.44Å; N60-I307 VanDerWaalsContact CG-CD1 3.4Å | ||
| 61 | R | 72.2 | Confident | 66.1 | Low | 164 Ų | 164 | 85.7 Ų | 85.7 | 62% | 0.619 | 49% | 0.49 | S | S | * | . | trans | -91 | 139.7 | 175.1 | -63.2 | 178.5 | 78.9 | 113.3 | -2 | 109.5 | D45 C59 | D45-R61 HydrophobicContact CB-CB 4.33Å; D45-R61 WeakPolarHBondContact CB-O 3.44Å; D45-R61 PolarHBondContact N-O 2.8Å; C59-R61 HydrophobicContact CB-CG 4.23Å; C59-R61 PolarHBondContact O-N 3.24Å; C59-R61 VanDerWaalsContact SG-CD 3.51Å; C59-R61 WeakPolarHBondContact SG-CG 3.39Å | ||
| 62 | F | 83.9 | Confident | 67.3 | Low | 28 Ų | 28 | 86.5 Ų | 86.5 | 12% | 0.123 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 136 | 172.4 | -65.2 | -83.9 | 0 | 0 | 0 | 109.5 | V8 I10 I42 R43 K44 V64 I307 | V8-F62 HydrophobicContact CB-CD2 4.46Å; V8-F62 HydrophobicContact CB-CE2 4.09Å; V8-F62 HydrophobicContact CG1-CD2 3.78Å; V8-F62 HydrophobicContact CG1-CE2 3.88Å; I10-F62 HydrophobicContact CD1-CB 3.98Å; I10-F62 HydrophobicContact CD1-CD2 3.38Å; I10-F62 HydrophobicContact CD1-CE2 4Å; I10-F62 HydrophobicContact CD1-CG 3.8Å; I42-F62 HydrophobicContact CG2-CB 3.99Å; I42-F62 HydrophobicContact CG2-CD1 3.8Å; I42-F62 HydrophobicContact CG2-CG 4Å; R43-F62 CarbonylContact O-C 3.55Å; R43-F62 VanDerWaalsContact O-CA 3.24Å; R43-F62 WeakPolarHBondContact O-CA 3.22Å; R43-F62 WeakPolarHBondContact O-CB 3.36Å; R43-F62 WeakPolarHBondContact O-CD1 3.31Å; K44-F62 HydrophobicContact CB-CD1 4.09Å; K44-F62 HydrophobicContact CB-CE1 3.9Å; K44-F62 HydrophobicContact CG-CD1 4.41Å; K44-F62 HydrophobicContact CG-CE1 4.01Å; F62-V64 HydrophobicContact CB-CG2 4.2Å; F62-I307 HydrophobicContact CE2-CD1 3.6Å; F62-I307 HydrophobicContact CE2-CG1 4.11Å; F62-I307 HydrophobicContact CZ-CD1 3.65Å; F62-I307 HydrophobicContact CZ-CG1 4Å |
| 63 | E | 83.9 | Confident | 69 | Low | 92 Ų | 92 | 83.7 Ų | 83.7 | 43% | 0.43 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 118.1 | 162.7 | -171.3 | -175.8 | -163.2 | 0 | 0 | 107.7 | R43 T65 | R43-E63 HydrophobicContact CB-CB 4.43Å; R43-E63 PolarHBondContact N-O 3.28Å; R43-E63 PolarHBondContact O-N 2.92Å; E63-T65 HydrophobicContact CG-CG2 4.27Å |
| 64 | V | 89.4 | Confident | 70.3 | Confident | 46 Ų | 46 | 84.3 Ų | 84.3 | 28% | 0.279 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 108.5 | -178.3 | -175.6 | 0 | 0 | 0 | 0 | 108.5 | I10 L11 Y40 R41 I42 F62 | I10-V64 HydrophobicContact CG2-CG1 4.04Å; I10-V64 HydrophobicContact CG2-CG2 3.63Å; L11-V64 HydrophobicContact CD2-CG1 3.83Å; Y40-V64 HydrophobicContact CD1-CG1 3.86Å; R41-V64 WeakPolarHBondContact O-CA 3.41Å; I42-V64 HydrophobicContact CG1-CG1 4.48Å; F62-V64 HydrophobicContact CB-CG2 4.2Å |
| 65 | T | 89.1 | Confident | 71.9 | Confident | 43 Ų | 43 | 82.2 Ų | 82.2 | 26% | 0.264 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 132.7 | 177.7 | 61.2 | 0 | 0 | 0 | 0 | 110.5 | Y40 R41 E63 E67 | Y40-T65 CarbonylContact C-O 3.56Å; Y40-T65 VanDerWaalsContact CA-O 3.29Å; Y40-T65 WeakPolarHBondContact CA-O 3.3Å; R41-T65 PolarHBondContact N-O 2.8Å; R41-T65 PolarHBondContact O-N 2.54Å; E63-T65 HydrophobicContact CG-CG2 4.27Å; T65-E67 PolarHBondContact O-N 3.22Å; T65-E67 PolarHBondContact OG1-OE1 2.94Å |
| 66 | L | 90.9 | Very high | 74 | Confident | 92 Ų | 92 | 77.3 Ų | 77.3 | 48% | 0.482 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 109.8 | 169 | 177.2 | 66.3 | 0 | 0 | 0 | 108.2 | L38 Y40 | L38-L66 HydrophobicContact CB-CD1 4.04Å; L38-L66 HydrophobicContact CD2-CD1 4.39Å; Y40-L66 HydrophobicContact CD1-CB 4.02Å; Y40-L66 HydrophobicContact CD1-CD1 4.09Å; Y40-L66 HydrophobicContact CD2-CD1 4.35Å; Y40-L66 HydrophobicContact CE1-CB 3.75Å; Y40-L66 HydrophobicContact CE1-CD1 3.75Å; Y40-L66 HydrophobicContact CE1-CG 4.26Å; Y40-L66 HydrophobicContact CE2-CD1 4.03Å; Y40-L66 HydrophobicContact CG-CD1 4.38Å |
| 67 | E | 89.1 | Confident | 76.4 | Confident | 95 Ų | 95 | 74 Ų | 74 | 44% | 0.444 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -42.2 | -173.6 | -69.2 | -74.3 | 163.2 | 0 | 0 | 111.4 | W27 L39 R41 T65 | W27-E67 HydrophobicContact CH2-CG 4.21Å; W27-E67 HydrophobicContact CZ3-CB 4.02Å; W27-E67 HydrophobicContact CZ3-CG 3.7Å; L39-E67 PolarHBondContact O-N 3.2Å; R41-E67 HydrophobicContact CB-CG 3.78Å; T65-E67 PolarHBondContact O-N 3.22Å; T65-E67 PolarHBondContact OG1-OE1 2.94Å |
| 68 | K | 86.1 | Confident | 78.7 | Confident | 94 Ų | 94 | 74.3 Ų | 74.3 | 41% | 0.409 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 141.2 | 179.6 | -62.1 | -175.1 | -177.2 | -177.5 | 0 | 111.3 | L39 L103 F105 | L39-K68 HydrophobicContact CB-CB 4.15Å; L39-K68 HydrophobicContact CD2-CB 4.48Å; L39-K68 HydrophobicContact CD2-CD 4.44Å; L39-K68 HydrophobicContact CD2-CG 4.49Å; L39-K68 PolarHBondContact N-O 3.04Å; L39-K68 PolarHBondContact O-N 2.84Å; K68-L103 PolarHBondContact NZ-O 2.82Å; K68-F105 HydrophobicContact CB-CE2 4.07Å; K68-F105 HydrophobicContact CD-CD2 4.44Å; K68-F105 HydrophobicContact CD-CE2 4.1Å |
| 69 | S | 87.8 | Confident | 81 | Confident | 59 Ų | 59 | 72.4 Ų | 72.4 | 41% | 0.413 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 106.4 | 169.4 | 163.7 | 0 | 0 | 0 | 0 | 108.5 | ||
| 70 | N | 84.6 | Confident | 82.9 | Confident | 23 Ų | 23 | 68.9 Ų | 68.9 | 12% | 0.123 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 118.7 | 179.6 | -166.7 | -12.6 | 0 | 0 | 0 | 110.8 | L37 N72 F73 F105 | L37-N70 PolarHBondContact N-O 2.81Å; L37-N70 PolarHBondContact O-N 3.21Å; N70-N72 WeakPolarHBondContact OD1-CB 3.37Å; N70-N72 VanDerWaalsContact OD1-CG 3.27Å; N70-N72 PolarHBondContact OD1-N 2.99Å; N70-F73 HydrophobicContact CB-CD2 4.3Å; N70-F73 HydrophobicContact CB-CE2 4.2Å; N70-F105 HydrophobicContact CB-CD2 4.24Å; N70-F105 WeakPolarHBondContact ND2-CB 3.21Å |
| 71 | K | 82 | Confident | 84.3 | Confident | 134 Ų | 134 | 71.3 Ų | 71.3 | 58% | 0.583 | 35% | 0.349 | S | S | * | . | trans | -95 | -5.9 | 177.3 | -58.8 | -173.5 | -179.8 | 176.6 | 0 | 113.4 | F73 S74 | K71-F73 PolarHBondContact O-N 3.01Å; K71-F73 VanDerWaalsContact O-N 3.12Å; K71-S74 PolarHBondContact O-N 3.44Å | ||
| 72 | N | 72.6 | Confident | 85.3 | Confident | 140 Ų | 140 | 64.4 Ų | 64.4 | 75% | 0.749 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -15.2 | -175.2 | -64.3 | -10.3 | 0 | 0 | 0 | 113.1 | N70 S74 | N70-N72 WeakPolarHBondContact OD1-CB 3.37Å; N70-N72 VanDerWaalsContact OD1-CG 3.27Å; N70-N72 PolarHBondContact OD1-N 2.99Å; N72-S74 PolarHBondContact O-N 3.12Å |
| 73 | F | 74.6 | Confident | 85.7 | Confident | 12 Ų | 12 | 63.3 Ų | 63.3 | 5% | 0.053 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -29 | 173 | -69.8 | -95.4 | 0 | 0 | 0 | 111.6 | G35 L37 N70 K71 K75 I77 L93 H100 | G35-F73 WeakPolarHBondContact O-CB 3.32Å; L37-F73 HydrophobicContact CB-CD2 3.79Å; L37-F73 HydrophobicContact CB-CE2 3.81Å; L37-F73 HydrophobicContact CB-CG 4.44Å; L37-F73 HydrophobicContact CB-CZ 4.46Å; L37-F73 HydrophobicContact CD2-CD2 4.41Å; L37-F73 HydrophobicContact CD2-CE1 4.44Å; L37-F73 HydrophobicContact CD2-CE2 3.6Å; L37-F73 HydrophobicContact CD2-CZ 3.63Å; L37-F73 HydrophobicContact CG-CE2 4.36Å; N70-F73 HydrophobicContact CB-CD2 4.3Å; N70-F73 HydrophobicContact CB-CE2 4.2Å; K71-F73 PolarHBondContact O-N 3.01Å; K71-F73 VanDerWaalsContact O-N 3.12Å; F73-K75 PolarHBondContact O-N 2.64Å; F73-I77 HydrophobicContact CB-CD1 4.03Å; F73-I77 HydrophobicContact CB-CG1 4.25Å; F73-I77 HydrophobicContact CD1-CD1 4.12Å; F73-I77 HydrophobicContact CD1-CG1 4.45Å; F73-I77 HydrophobicContact CG-CD1 4.04Å; F73-L93 HydrophobicContact CD1-CD1 3.49Å; F73-L93 VanDerWaalsContact CD1-CD1 3.49Å; F73-L93 HydrophobicContact CD1-CD2 3.85Å; F73-L93 HydrophobicContact CD1-CG 4.27Å; F73-L93 HydrophobicContact CE1-CD1 3.92Å; F73-H100 AromaticContact CE1-CE1 3.63Å; F73-H100 AromaticContact CZ-CE1 3.97Å |
| 74 | S | 66.9 | Low | 85.9 | Confident | 85 Ų | 85 | 60.3 Ų | 60.3 | 59% | 0.594 | 31% | 0.31 | S | S | * | . | trans | 51.3 | -9.1 | 168.7 | 68.3 | 0 | 0 | 0 | 0 | 118.5 | G35 K71 N72 | G35-S74 PolarHBondContact O-N 3.27Å; K71-S74 PolarHBondContact O-N 3.44Å; N72-S74 PolarHBondContact O-N 3.12Å | ||
| 75 | K | 79.4 | Confident | 85.9 | Confident | 92 Ų | 92 | 62.5 Ų | 62.5 | 40% | 0.4 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -144.7 | 163.4 | -172.6 | -57.6 | -170.2 | -178 | -178.5 | 0 | 109.9 | G35 F73 I77 E94 | G35-K75 WeakPolarHBondContact CA-O 3.21Å; F73-K75 PolarHBondContact O-N 2.64Å; K75-I77 PolarHBondContact O-N 3.12Å; K75-E94 HydrophobicContact CB-CG 4.43Å; K75-E94 HydrophobicContact CD-CG 3.59Å; K75-E94 WeakPolarHBondContact CD-OE1 3.32Å; K75-E94 WeakPolarHBondContact CD-OE2 3.29Å; K75-E94 WeakPolarHBondContact CE-OE1 3.36Å; K75-E94 IonicContact NZ-OE1 2.74Å; K75-E94 PolarHBondContact NZ-OE1 3.12Å; K75-E94 IonicContact NZ-OE2 2.96Å; K75-E94 PolarHBondContact NZ-OE2 2.93Å |
| 76 | K | 83.7 | Confident | 85.9 | Confident | 90 Ų | 90 | 63.6 Ų | 63.6 | 39% | 0.391 | 32% | 0.318 | S | S | . | . | trans | -51.5 | 121.8 | -177.1 | -174.6 | -177.9 | -177.9 | -166.8 | 0 | 111.8 | D19 K33 | D19-K76 WeakPolarHBondContact OD1-CE 3.08Å; D19-K76 IonicContact OD1-NZ 3.87Å; D19-K76 PolarHBondContact OD1-NZ 3.04Å; D19-K76 WeakPolarHBondContact OD2-CE 3.44Å; D19-K76 IonicContact OD2-NZ 3Å; D19-K76 PolarHBondContact OD2-NZ 3.38Å; K33-K76 HydrophobicContact CG-CD 4.37Å; K33-K76 HydrophobicContact CG-CG 4.37Å; K33-K76 WeakPolarHBondContact O-CA 3.38Å | ||
| 77 | I | 87.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 111.1 | 173.8 | -50.7 | -179.3 | 0 | 0 | 0 | 108 | L37 F73 K75 I80 L93 | L37-I77 HydrophobicContact CB-CD1 3.98Å; L37-I77 HydrophobicContact CD1-CD1 4.17Å; F73-I77 HydrophobicContact CB-CD1 4.03Å; F73-I77 HydrophobicContact CB-CG1 4.25Å; F73-I77 HydrophobicContact CD1-CD1 4.12Å; F73-I77 HydrophobicContact CD1-CG1 4.45Å; F73-I77 HydrophobicContact CG-CD1 4.04Å; K75-I77 PolarHBondContact O-N 3.12Å; I77-I80 HydrophobicContact CG2-CG2 3.47Å; I77-I80 VanDerWaalsContact CG2-CG2 3.47Å; I77-L93 HydrophobicContact CB-CD2 4.08Å; I77-L93 HydrophobicContact CG1-CD2 3.79Å; I77-L93 HydrophobicContact CG2-CD2 4.02Å |
| 78 | Q | 88.9 | Confident | 86.1 | Confident | 70 Ų | 70 | 59.6 Ų | 59.6 | 33% | 0.327 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -40.3 | -173.1 | -66.4 | 177.4 | -7.1 | 0 | 0 | 112.6 | L92 N95 | Q78-L92 HydrophobicContact CB-CB 4.45Å; Q78-L92 HydrophobicContact CB-CD2 4.16Å; Q78-L92 HydrophobicContact CB-CG 4.22Å; Q78-L92 PolarHBondContact N-O 2.98Å; Q78-L92 VanDerWaalsContact N-O 3.09Å; Q78-N95 PolarHBondContact NE2-OD1 3.09Å |
| 79 | Q | 91.7 | Very high | 86.5 | Confident | 56 Ų | 56 | 55.1 Ų | 55.1 | 26% | 0.262 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 142 | -178.5 | -170.8 | -178.6 | 2.3 | 0 | 0 | 109.2 | S91 L92 F120 | Q79-S91 WeakPolarHBondContact O-CA 3.39Å; Q79-L92 HydrophobicContact CB-CB 4.06Å; Q79-L92 HydrophobicContact CB-CD2 4.39Å; Q79-L92 PolarHBondContact O-N 3.02Å; Q79-F120 HydrophobicContact CB-CD1 4.42Å; Q79-F120 HydrophobicContact CB-CE1 3.83Å; Q79-F120 HydrophobicContact CG-CD1 4.27Å; Q79-F120 HydrophobicContact CG-CE1 3.68Å; Q79-F120 HydrophobicContact CG-CZ 4.12Å; Q79-F120 PolarHBondContact NE2-O 2.68Å; Q79-F120 VanDerWaalsContact OE1-CD1 3.32Å; Q79-F120 VanDerWaalsContact OE1-N 3.12Å; Q79-F120 PolarHBondContact OE1-O 3.45Å |
| 80 | I | 93.4 | Very high | 86.8 | Confident | 10 Ų | 10 | 52.3 Ų | 52.3 | 5% | 0.051 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 147.3 | 173.1 | 56.4 | 177.7 | 0 | 0 | 0 | 109.5 | C20 A22 L29 L37 I77 L89 V90 | C20-I80 HydrophobicContact CB-CG1 4.23Å; A22-I80 HydrophobicContact CB-CD1 3.88Å; A22-I80 HydrophobicContact CB-CG1 3.86Å; L29-I80 HydrophobicContact CB-CD1 4.02Å; L37-I80 HydrophobicContact CD1-CD1 4.29Å; I77-I80 HydrophobicContact CG2-CG2 3.47Å; I77-I80 VanDerWaalsContact CG2-CG2 3.47Å; I80-L89 HydrophobicContact CB-CD1 4.19Å; I80-V90 CarbonylContact C-O 3.43Å; I80-V90 WeakPolarHBondContact CA-O 3.2Å |
| 81 | H | 92.7 | Very high | 87.1 | Confident | 72 Ų | 72 | 51.2 Ų | 51.2 | 33% | 0.333 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 131.2 | 174.4 | -167.5 | 81.1 | 0 | 0 | 0 | 109.6 | V90 F120 C122 | H81-V90 PolarHBondContact N-O 2.87Å; H81-V90 PolarHBondContact O-N 2.78Å; H81-F120 HydrophobicContact CB-CE2 3.57Å; H81-F120 HydrophobicContact CB-CZ 3.77Å; H81-C122 VanDerWaalsContact CD2-CB 3.49Å; H81-C122 WeakPolarHBondContact CD2-CB 3.08Å |
| 82 | V | 93.1 | Very high | 87.6 | Confident | 20 Ų | 20 | 44.9 Ų | 44.9 | 12% | 0.121 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 129.5 | -178.9 | 171.9 | 0 | 0 | 0 | 0 | 108.7 | A22 W24 L29 L89 L102 | A22-V82 HydrophobicContact CB-CB 4.47Å; A22-V82 HydrophobicContact CB-CG2 3.69Å; W24-V82 HydrophobicContact CB-CG1 4.01Å; W24-V82 HydrophobicContact CD2-CG1 3.97Å; W24-V82 HydrophobicContact CE3-CB 4.4Å; W24-V82 HydrophobicContact CE3-CG1 3.81Å; W24-V82 HydrophobicContact CE3-CG2 3.92Å; W24-V82 HydrophobicContact CG-CG1 4.07Å; W24-V82 HydrophobicContact CZ3-CG2 4.2Å; L29-V82 HydrophobicContact CD1-CG2 3.72Å; V82-L89 HydrophobicContact CG2-CD1 3.9Å; V82-L102 HydrophobicContact CB-CD1 4.35Å; V82-L102 HydrophobicContact CG1-CD1 3.69Å; V82-L102 HydrophobicContact CG1-CD2 3.74Å; V82-L102 HydrophobicContact CG1-CG 4.39Å; V82-L102 HydrophobicContact CG2-CD1 3.86Å |
| 83 | V | 91.5 | Very high | 88.4 | Confident | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.03 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 93.8 | 170.1 | -167.6 | 0 | 0 | 0 | 0 | 108 | Q85 F86 K87 I88 L134 | V83-Q85 VanDerWaalsContact C-N 3.31Å; V83-Q85 PolarHBondContact O-N 3.28Å; V83-F86 HydrophobicContact CG1-CB 4.48Å; V83-F86 HydrophobicContact CG1-CD2 3.78Å; V83-F86 PolarHBondContact O-N 2.85Å; V83-K87 PolarHBondContact O-N 2.89Å; V83-I88 HydrophobicContact CB-CD1 4.47Å; V83-I88 HydrophobicContact CB-CG1 3.87Å; V83-I88 HydrophobicContact CG2-CG1 4.33Å; V83-I88 PolarHBondContact N-O 3.35Å; V83-I88 PolarHBondContact O-N 3.15Å; V83-I88 VanDerWaalsContact O-N 3.17Å; V83-L134 HydrophobicContact CB-CD2 4.32Å; V83-L134 HydrophobicContact CG1-CD1 4.13Å; V83-L134 HydrophobicContact CG1-CD2 4.09Å; V83-L134 HydrophobicContact CG2-CD1 3.96Å; V83-L134 HydrophobicContact CG2-CD2 3.93Å |
| 84 | S | 89.4 | Confident | 89 | Confident | 28 Ų | 28 | 43.2 Ų | 43.2 | 20% | 0.196 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -26.1 | -168.8 | 63.3 | 0 | 0 | 0 | 0 | 113.2 | K87 | S84-K87 VanDerWaalsContact O-CD 3.24Å; S84-K87 WeakPolarHBondContact O-CD 3.31Å; S84-K87 VanDerWaalsContact O-CE 3.28Å; S84-K87 WeakPolarHBondContact O-CE 3.27Å; S84-K87 PolarHBondContact O-N 2.92Å; S84-K87 PolarHBondContact O-NZ 2.94Å |
| 85 | Q | 88.4 | Confident | 90 | Very high | 93 Ų | 93 | 42.7 Ų | 42.7 | 44% | 0.435 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -44.5 | 176.8 | -66.3 | 80.1 | 0.7 | 0 | 0 | 111.2 | V83 L124 E132 | V83-Q85 VanDerWaalsContact C-N 3.31Å; V83-Q85 PolarHBondContact O-N 3.28Å; Q85-L124 HydrophobicContact CB-CD2 4.4Å; Q85-L124 HydrophobicContact CG-CD2 3.75Å; Q85-E132 VanDerWaalsContact CB-OE2 3.27Å; Q85-E132 WeakPolarHBondContact CB-OE2 3.14Å; Q85-E132 VanDerWaalsContact CG-OE2 3.26Å; Q85-E132 WeakPolarHBondContact CG-OE2 3.45Å |
| 86 | F | 89.6 | Confident | 90.6 | Very high | 65 Ų | 65 | 39.7 Ų | 39.7 | 29% | 0.285 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -1 | 176.8 | -65.5 | -68 | 0 | 0 | 0 | 113.9 | V83 I88 L124 E132 L134 W149 | V83-F86 HydrophobicContact CG1-CB 4.48Å; V83-F86 HydrophobicContact CG1-CD2 3.78Å; V83-F86 PolarHBondContact O-N 2.85Å; F86-I88 HydrophobicContact CB-CD1 4.19Å; F86-I88 HydrophobicContact CB-CG1 4.04Å; F86-I88 HydrophobicContact CB-CG2 4.44Å; F86-I88 WeakPolarHBondContact O-CG2 3.34Å; F86-I88 PolarHBondContact O-N 2.88Å; F86-L124 HydrophobicContact CD2-CD1 4.33Å; F86-L124 HydrophobicContact CE2-CD1 3.63Å; F86-E132 HydrophobicContact CZ-CB 4.29Å; F86-E132 WeakPolarHBondContact CZ-O 3.47Å; F86-L134 HydrophobicContact CD2-CB 3.87Å; F86-L134 HydrophobicContact CD2-CD2 4.12Å; F86-L134 HydrophobicContact CE2-CB 3.51Å; F86-L134 HydrophobicContact CZ-CB 4.43Å; F86-W149 AromaticContact CD1-CD1 3.64Å; F86-W149 AromaticContact CD1-NE1 3.72Å; F86-W149 AromaticContact CE1-CD1 3.93Å; F86-W149 AromaticContact CG-CD1 3.75Å; F86-W149 AromaticContact CG-NE1 3.84Å |
| 87 | K | 90.9 | Very high | 91.1 | Very high | 101 Ų | 101 | 35.4 Ų | 35.4 | 44% | 0.439 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 38.2 | -176.3 | -54.4 | -65.3 | 173.6 | -148.4 | 0 | 113 | V83 S84 L102 | V83-K87 PolarHBondContact O-N 2.89Å; S84-K87 VanDerWaalsContact O-CD 3.24Å; S84-K87 WeakPolarHBondContact O-CD 3.31Å; S84-K87 VanDerWaalsContact O-CE 3.28Å; S84-K87 WeakPolarHBondContact O-CE 3.27Å; S84-K87 PolarHBondContact O-N 2.92Å; S84-K87 PolarHBondContact O-NZ 2.94Å; K87-L102 VanDerWaalsContact C-CB 3.46Å; K87-L102 WeakPolarHBondContact O-CB 3.34Å; K87-L102 PolarHBondContact O-N 2.87Å |
| 88 | I | 93.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.015 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 151.8 | 178.9 | 64 | 177.2 | 0 | 0 | 0 | 112.4 | V83 F86 V90 V99 H100 I108 L134 W149 | V83-I88 HydrophobicContact CB-CD1 4.47Å; V83-I88 HydrophobicContact CB-CG1 3.87Å; V83-I88 HydrophobicContact CG2-CG1 4.33Å; V83-I88 PolarHBondContact N-O 3.35Å; V83-I88 PolarHBondContact O-N 3.15Å; V83-I88 VanDerWaalsContact O-N 3.17Å; F86-I88 HydrophobicContact CB-CD1 4.19Å; F86-I88 HydrophobicContact CB-CG1 4.04Å; F86-I88 HydrophobicContact CB-CG2 4.44Å; F86-I88 WeakPolarHBondContact O-CG2 3.34Å; F86-I88 PolarHBondContact O-N 2.88Å; I88-V90 HydrophobicContact CD1-CG2 4.44Å; I88-V99 HydrophobicContact CB-CG1 3.92Å; I88-V99 HydrophobicContact CD1-CG1 4.17Å; I88-V99 HydrophobicContact CG2-CG1 4.11Å; I88-H100 CarbonylContact C-O 3.59Å; I88-H100 WeakPolarHBondContact CA-O 3.19Å; I88-I108 HydrophobicContact CG2-CD1 3.82Å; I88-L134 HydrophobicContact CD1-CD2 3.72Å; I88-W149 HydrophobicContact CD1-CD2 3.96Å; I88-W149 HydrophobicContact CD1-CE3 4.15Å; I88-W149 HydrophobicContact CD1-CH2 4.19Å; I88-W149 HydrophobicContact CD1-CZ2 3.98Å; I88-W149 HydrophobicContact CD1-CZ3 4.27Å; I88-W149 HydrophobicContact CG2-CH2 4.13Å; I88-W149 HydrophobicContact CG2-CZ2 3.72Å |
| 89 | L | 92.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 115.1 | 171.2 | 173.7 | 66.5 | 0 | 0 | 0 | 108.6 | L29 L37 I80 V82 H100 L102 F105 | L29-L89 HydrophobicContact CD1-CD1 3.89Å; L29-L89 HydrophobicContact CD1-CD2 4.22Å; L37-L89 HydrophobicContact CD2-CD2 3.61Å; I80-L89 HydrophobicContact CB-CD1 4.19Å; V82-L89 HydrophobicContact CG2-CD1 3.9Å; L89-H100 HydrophobicContact CB-CB 4.39Å; L89-H100 PolarHBondContact N-O 3.45Å; L89-H100 PolarHBondContact O-N 3Å; L89-L102 HydrophobicContact CB-CD1 4.13Å; L89-F105 HydrophobicContact CD2-CD1 4.05Å; L89-F105 HydrophobicContact CD2-CE1 4.09Å |
| 90 | V | 94.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 128.8 | 173 | -173.5 | 0 | 0 | 0 | 0 | 108.3 | I80 H81 I88 I97 F120 M136 F154 | I80-V90 CarbonylContact C-O 3.43Å; I80-V90 WeakPolarHBondContact CA-O 3.2Å; H81-V90 PolarHBondContact N-O 2.87Å; H81-V90 PolarHBondContact O-N 2.78Å; I88-V90 HydrophobicContact CD1-CG2 4.44Å; V90-I97 HydrophobicContact CG1-CG2 3.67Å; V90-F120 HydrophobicContact CB-CE2 3.87Å; V90-F120 HydrophobicContact CB-CZ 4.01Å; V90-F120 HydrophobicContact CG1-CD2 4.05Å; V90-F120 HydrophobicContact CG1-CE1 4.3Å; V90-F120 HydrophobicContact CG1-CE2 3.51Å; V90-F120 HydrophobicContact CG1-CZ 3.66Å; V90-M136 HydrophobicContact CG1-SD 3.92Å; V90-F154 HydrophobicContact CG2-CE2 4.13Å; V90-F154 HydrophobicContact CG2-CZ 4.27Å |
| 91 | S | 93 | Very high | 91.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 137.1 | -176 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | Q79 Y98 H100 | Q79-S91 WeakPolarHBondContact O-CA 3.39Å; S91-Y98 PolarHBondContact N-O 3.11Å; S91-Y98 PolarHBondContact O-N 2.79Å; S91-Y98 PolarHBondContact OG-O 3.31Å; S91-H100 PolarHBondContact OG-CE1 3.4Å; S91-H100 VanDerWaalsContact OG-CE1 3.27Å; S91-H100 PolarHBondContact OG-ND1 2.91Å |
| 92 | L | 92.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 111.4 | 175.1 | -178.1 | 64.3 | 0 | 0 | 0 | 109.8 | Q78 Q79 I97 A117 F120 | Q78-L92 HydrophobicContact CB-CB 4.45Å; Q78-L92 HydrophobicContact CB-CD2 4.16Å; Q78-L92 HydrophobicContact CB-CG 4.22Å; Q78-L92 PolarHBondContact N-O 2.98Å; Q78-L92 VanDerWaalsContact N-O 3.09Å; Q79-L92 HydrophobicContact CB-CB 4.06Å; Q79-L92 HydrophobicContact CB-CD2 4.39Å; Q79-L92 PolarHBondContact O-N 3.02Å; L92-I97 HydrophobicContact CD1-CG1 4.02Å; L92-A117 HydrophobicContact CD1-CB 3.7Å; L92-F120 HydrophobicContact CB-CD1 4.08Å; L92-F120 HydrophobicContact CB-CE1 3.91Å |
| 93 | L | 89 | Confident | 90.8 | Very high | 16 Ų | 16 | 34.3 Ų | 34.3 | 8% | 0.084 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 124.7 | -177.5 | -52.6 | 167.5 | 0 | 0 | 0 | 108.8 | F73 I77 N95 N96 Y98 | F73-L93 HydrophobicContact CD1-CD1 3.49Å; F73-L93 VanDerWaalsContact CD1-CD1 3.49Å; F73-L93 HydrophobicContact CD1-CD2 3.85Å; F73-L93 HydrophobicContact CD1-CG 4.27Å; F73-L93 HydrophobicContact CE1-CD1 3.92Å; I77-L93 HydrophobicContact CB-CD2 4.08Å; I77-L93 HydrophobicContact CG1-CD2 3.79Å; I77-L93 HydrophobicContact CG2-CD2 4.02Å; L93-N95 PolarHBondContact O-N 2.89Å; L93-N95 VanDerWaalsContact O-N 3.15Å; L93-N96 PolarHBondContact N-O 3.43Å; L93-N96 PolarHBondContact O-N 2.94Å; L93-Y98 HydrophobicContact CB-CD2 3.86Å; L93-Y98 HydrophobicContact CB-CE2 3.82Å; L93-Y98 HydrophobicContact CD1-CD2 3.7Å; L93-Y98 HydrophobicContact CD1-CE2 4.18Å; L93-Y98 HydrophobicContact CD1-CG 4.29Å; L93-Y98 HydrophobicContact CG-CD2 4.04Å; L93-Y98 HydrophobicContact CG-CE2 4.46Å |
| 94 | E | 85.9 | Confident | 90.5 | Very high | 100 Ų | 100 | 37.4 Ų | 37.4 | 47% | 0.467 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 43.2 | -179.1 | -63.8 | -163.3 | 129.3 | 0 | 0 | 114.8 | K75 N96 | K75-E94 HydrophobicContact CB-CG 4.43Å; K75-E94 HydrophobicContact CD-CG 3.59Å; K75-E94 WeakPolarHBondContact CD-OE1 3.32Å; K75-E94 WeakPolarHBondContact CD-OE2 3.29Å; K75-E94 WeakPolarHBondContact CE-OE1 3.36Å; K75-E94 IonicContact NZ-OE1 2.74Å; K75-E94 PolarHBondContact NZ-OE1 3.12Å; K75-E94 IonicContact NZ-OE2 2.96Å; K75-E94 PolarHBondContact NZ-OE2 2.93Å; E94-N96 PolarHBondContact O-N 2.83Å |
| 95 | N | 89.1 | Confident | 90.4 | Very high | 74 Ų | 74 | 36.7 Ų | 36.7 | 40% | 0.396 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 24.1 | -178.6 | -44.8 | -26.3 | 0 | 0 | 0 | 114 | Q78 L93 G116 A117 | Q78-N95 PolarHBondContact NE2-OD1 3.09Å; L93-N95 PolarHBondContact O-N 2.89Å; L93-N95 VanDerWaalsContact O-N 3.15Å; N95-G116 CarbonylContact O-C 3.59Å; N95-G116 WeakPolarHBondContact O-CA 3.5Å; N95-G116 PolarHBondContact O-N 2.89Å; N95-A117 WeakPolarHBondContact CA-O 3.03Å; N95-A117 WeakPolarHBondContact CB-O 3.13Å; N95-A117 PolarHBondContact O-N 2.88Å |
| 96 | N | 91.4 | Very high | 90.4 | Very high | 29 Ų | 29 | 38.8 Ų | 38.8 | 16% | 0.155 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 147 | 170 | -61.4 | -54.8 | 0 | 0 | 0 | 110.1 | L93 E94 Y98 K115 | L93-N96 PolarHBondContact N-O 3.43Å; L93-N96 PolarHBondContact O-N 2.94Å; E94-N96 PolarHBondContact O-N 2.83Å; N96-Y98 HydrophobicContact CB-CD2 4.3Å; N96-Y98 HydrophobicContact CB-CE2 3.57Å; N96-K115 WeakPolarHBondContact OD1-CG 3.32Å |
| 97 | I | 93.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 121.6 | 177.6 | -64.1 | 177.8 | 0 | 0 | 0 | 109.7 | V90 L92 V111 A114 A117 F120 M136 V138 | V90-I97 HydrophobicContact CG1-CG2 3.67Å; L92-I97 HydrophobicContact CD1-CG1 4.02Å; I97-V111 HydrophobicContact CB-CB 4.27Å; I97-V111 HydrophobicContact CB-CG2 4.29Å; I97-V111 HydrophobicContact CG2-CG2 4Å; I97-V111 PolarHBondContact O-N 2.88Å; I97-A114 HydrophobicContact CD1-CB 4.37Å; I97-A117 HydrophobicContact CD1-CB 4.18Å; I97-A117 HydrophobicContact CG1-CB 4.07Å; I97-F120 HydrophobicContact CD1-CB 4Å; I97-F120 HydrophobicContact CD1-CG 4.4Å; I97-M136 HydrophobicContact CD1-CE 4.34Å; I97-M136 HydrophobicContact CD1-SD 4.31Å; I97-M136 HydrophobicContact CG2-CE 4.25Å; I97-M136 HydrophobicContact CG2-SD 4.28Å; I97-V138 HydrophobicContact CD1-CB 3.93Å; I97-V138 HydrophobicContact CD1-CG1 3.36Å; I97-V138 HydrophobicContact CD1-CG2 3.27Å; I97-V138 HydrophobicContact CG1-CG1 4.5Å |
| 98 | Y | 92.2 | Very high | 90.5 | Very high | 54 Ų | 54 | 39.1 Ų | 39.1 | 21% | 0.212 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 137 | 176.4 | -62.8 | -88.7 | 0 | 0 | 0 | 109.9 | S91 L93 N96 H100 T110 | S91-Y98 PolarHBondContact N-O 3.11Å; S91-Y98 PolarHBondContact O-N 2.79Å; S91-Y98 PolarHBondContact OG-O 3.31Å; L93-Y98 HydrophobicContact CB-CD2 3.86Å; L93-Y98 HydrophobicContact CB-CE2 3.82Å; L93-Y98 HydrophobicContact CD1-CD2 3.7Å; L93-Y98 HydrophobicContact CD1-CE2 4.18Å; L93-Y98 HydrophobicContact CD1-CG 4.29Å; L93-Y98 HydrophobicContact CG-CD2 4.04Å; L93-Y98 HydrophobicContact CG-CE2 4.46Å; N96-Y98 HydrophobicContact CB-CD2 4.3Å; N96-Y98 HydrophobicContact CB-CE2 3.57Å; Y98-H100 WeakPolarHBondContact CB-CE1 2.93Å; Y98-T110 HydrophobicContact CD1-CG2 3.86Å; Y98-T110 VanDerWaalsContact CD1-OG1 3.29Å; Y98-T110 WeakPolarHBondContact CD1-OG1 3.42Å; Y98-T110 HydrophobicContact CE1-CG2 3.69Å; Y98-T110 WeakPolarHBondContact CE1-OG1 3.47Å |
| 99 | V | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 121.6 | 173.6 | -170.5 | 0 | 0 | 0 | 0 | 108.2 | I88 I108 T109 W149 F154 | I88-V99 HydrophobicContact CB-CG1 3.92Å; I88-V99 HydrophobicContact CD1-CG1 4.17Å; I88-V99 HydrophobicContact CG2-CG1 4.11Å; V99-I108 HydrophobicContact CG1-CD1 4.47Å; V99-I108 PolarHBondContact O-N 2.92Å; V99-T109 HydrophobicContact CB-CG2 3.91Å; V99-T109 HydrophobicContact CG2-CG2 3.89Å; V99-T109 PolarHBondContact N-O 3.1Å; V99-T109 PolarHBondContact O-N 3.39Å; V99-W149 HydrophobicContact CB-CZ3 4.45Å; V99-W149 HydrophobicContact CG1-CH2 3.76Å; V99-W149 HydrophobicContact CG1-CZ3 3.89Å; V99-W149 HydrophobicContact CG2-CZ3 4.24Å; V99-F154 HydrophobicContact CG2-CD2 3.65Å; V99-F154 HydrophobicContact CG2-CE2 3.54Å |
| 100 | H | 92.5 | Very high | 90.4 | Very high | 15 Ų | 15 | 42 Ų | 42 | 7% | 0.069 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 154.2 | 177.6 | -58.8 | 88.3 | 0 | 0 | 0 | 110.1 | F73 I88 L89 S91 Y98 Q106 | F73-H100 AromaticContact CE1-CE1 3.63Å; F73-H100 AromaticContact CZ-CE1 3.97Å; I88-H100 CarbonylContact C-O 3.59Å; I88-H100 WeakPolarHBondContact CA-O 3.19Å; L89-H100 HydrophobicContact CB-CB 4.39Å; L89-H100 PolarHBondContact N-O 3.45Å; L89-H100 PolarHBondContact O-N 3Å; S91-H100 PolarHBondContact OG-CE1 3.4Å; S91-H100 VanDerWaalsContact OG-CE1 3.27Å; S91-H100 PolarHBondContact OG-ND1 2.91Å; Y98-H100 WeakPolarHBondContact CB-CE1 2.93Å; H100-Q106 CarbonylContact C-O 3.59Å; H100-Q106 VanDerWaalsContact CA-O 3.26Å; H100-Q106 WeakPolarHBondContact CA-O 3.32Å |
| 101 | D | 91 | Very high | 90.3 | Very high | 45 Ų | 45 | 42.5 Ų | 42.5 | 24% | 0.241 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 130.8 | 166 | 176.7 | -88.1 | 0 | 0 | 0 | 109.4 | L103 T104 F105 Q106 I108 | D101-L103 VanDerWaalsContact C-N 3.26Å; D101-L103 PolarHBondContact O-N 2.78Å; D101-L103 PolarHBondContact OD1-N 3.07Å; D101-L103 VanDerWaalsContact OD1-N 3.15Å; D101-T104 VanDerWaalsContact CB-OG1 3.28Å; D101-T104 WeakPolarHBondContact CB-OG1 3.35Å; D101-T104 VanDerWaalsContact CG-OG1 3.25Å; D101-T104 WeakPolarHBondContact OD1-CB 3.13Å; D101-T104 PolarHBondContact OD1-N 2.9Å; D101-T104 PolarHBondContact OD1-OG1 2.88Å; D101-F105 WeakPolarHBondContact O-CA 3.36Å; D101-F105 PolarHBondContact O-N 2.88Å; D101-Q106 PolarHBondContact N-O 2.91Å; D101-I108 HydrophobicContact CB-CD1 4.06Å; D101-I108 HydrophobicContact CB-CG1 4.22Å |
| 102 | L | 88.3 | Confident | 90 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -29.4 | -170.4 | -177.9 | 62.2 | 0 | 0 | 0 | 113.2 | W24 L29 V82 K87 L89 F105 | W24-L102 HydrophobicContact CD2-CD2 4.14Å; W24-L102 HydrophobicContact CE3-CD1 4.19Å; W24-L102 HydrophobicContact CH2-CD1 3.76Å; W24-L102 HydrophobicContact CH2-CD2 4.45Å; W24-L102 HydrophobicContact CH2-CG 3.98Å; W24-L102 HydrophobicContact CZ2-CD1 4.17Å; W24-L102 HydrophobicContact CZ2-CD2 4.03Å; W24-L102 HydrophobicContact CZ2-CG 3.9Å; W24-L102 HydrophobicContact CZ3-CD1 3.8Å; W24-L102 HydrophobicContact CZ3-CG 4.42Å; L29-L102 HydrophobicContact CD1-CD1 4.22Å; V82-L102 HydrophobicContact CB-CD1 4.35Å; V82-L102 HydrophobicContact CG1-CD1 3.69Å; V82-L102 HydrophobicContact CG1-CD2 3.74Å; V82-L102 HydrophobicContact CG1-CG 4.39Å; V82-L102 HydrophobicContact CG2-CD1 3.86Å; K87-L102 VanDerWaalsContact C-CB 3.46Å; K87-L102 WeakPolarHBondContact O-CB 3.34Å; K87-L102 PolarHBondContact O-N 2.87Å; L89-L102 HydrophobicContact CB-CD1 4.13Å; L102-F105 VanDerWaalsContact O-CE1 3.22Å; L102-F105 WeakPolarHBondContact O-CE1 3.16Å |
| 103 | L | 84.4 | Confident | 89.7 | Confident | 91 Ų | 91 | 53.4 Ų | 53.4 | 48% | 0.476 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -40.8 | -174.7 | -62.9 | 178.4 | 0 | 0 | 0 | 112.1 | K68 D101 | K68-L103 PolarHBondContact NZ-O 2.82Å; D101-L103 VanDerWaalsContact C-N 3.26Å; D101-L103 PolarHBondContact O-N 2.78Å; D101-L103 PolarHBondContact OD1-N 3.07Å; D101-L103 VanDerWaalsContact OD1-N 3.15Å |
| 104 | T | 85.3 | Confident | 89.7 | Confident | 71 Ų | 71 | 52.7 Ų | 52.7 | 44% | 0.436 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -19.2 | -176.3 | 63.6 | 0 | 0 | 0 | 0 | 113.1 | D101 Q106 | D101-T104 VanDerWaalsContact CB-OG1 3.28Å; D101-T104 WeakPolarHBondContact CB-OG1 3.35Å; D101-T104 VanDerWaalsContact CG-OG1 3.25Å; D101-T104 WeakPolarHBondContact OD1-CB 3.13Å; D101-T104 PolarHBondContact OD1-N 2.9Å; D101-T104 PolarHBondContact OD1-OG1 2.88Å; T104-Q106 PolarHBondContact O-N 2.99Å; T104-Q106 PolarHBondContact OG1-N 2.97Å |
| 105 | F | 87.5 | Confident | 89.8 | Confident | 12 Ų | 12 | 55.5 Ų | 55.5 | 5% | 0.053 | 28% | 0.282 | C | S | . | . | trans | 55.7 | 21.4 | -169.7 | -52.4 | -49.5 | 0 | 0 | 0 | 114 | L29 L37 L39 K68 N70 L89 D101 L102 | L29-F105 HydrophobicContact CD2-CE1 4.01Å; L29-F105 HydrophobicContact CD2-CZ 3.73Å; L37-F105 HydrophobicContact CD2-CD1 3.98Å; L37-F105 HydrophobicContact CD2-CE1 3.92Å; L37-F105 HydrophobicContact CD2-CG 4.39Å; L37-F105 HydrophobicContact CD2-CZ 4.26Å; L39-F105 HydrophobicContact CB-CE2 4.2Å; L39-F105 HydrophobicContact CB-CZ 3.99Å; L39-F105 HydrophobicContact CD2-CE2 4.28Å; L39-F105 HydrophobicContact CD2-CZ 3.96Å; L39-F105 HydrophobicContact CG-CZ 4.38Å; K68-F105 HydrophobicContact CB-CE2 4.07Å; K68-F105 HydrophobicContact CD-CD2 4.44Å; K68-F105 HydrophobicContact CD-CE2 4.1Å; N70-F105 HydrophobicContact CB-CD2 4.24Å; N70-F105 WeakPolarHBondContact ND2-CB 3.21Å; L89-F105 HydrophobicContact CD2-CD1 4.05Å; L89-F105 HydrophobicContact CD2-CE1 4.09Å; D101-F105 WeakPolarHBondContact O-CA 3.36Å; D101-F105 PolarHBondContact O-N 2.88Å; L102-F105 VanDerWaalsContact O-CE1 3.22Å; L102-F105 WeakPolarHBondContact O-CE1 3.16Å | ||
| 106 | Q | 88.6 | Confident | 89.9 | Confident | 138 Ų | 138 | 53.1 Ų | 53.1 | 65% | 0.645 | 28% | 0.275 | S | S | * | . | trans | -73.9 | 137.4 | 169.9 | -69.7 | -173.1 | -7.4 | 0 | 0 | 109.4 | H100 D101 T104 I108 | H100-Q106 CarbonylContact C-O 3.59Å; H100-Q106 VanDerWaalsContact CA-O 3.26Å; H100-Q106 WeakPolarHBondContact CA-O 3.32Å; D101-Q106 PolarHBondContact N-O 2.91Å; T104-Q106 PolarHBondContact O-N 2.99Å; T104-Q106 PolarHBondContact OG1-N 2.97Å; Q106-I108 PolarHBondContact O-N 2.88Å | ||
| 107 | Q | 89.9 | Confident | 89.9 | Confident | 113 Ų | 113 | 51.7 Ų | 51.7 | 53% | 0.528 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 123.1 | 177.3 | -171.7 | -173.3 | -65.3 | 0 | 0 | 109.5 | T110 | Q107-T110 PolarHBondContact NE2-OG1 2.96Å; Q107-T110 VanDerWaalsContact NE2-OG1 3.14Å |
| 108 | I | 91.9 | Very high | 89.9 | Confident | 59 Ų | 59 | 53.9 Ų | 53.9 | 30% | 0.303 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -57 | 175.1 | -60.7 | 172.1 | 0 | 0 | 0 | 108.9 | I88 V99 D101 Q106 W149 R152 | I88-I108 HydrophobicContact CG2-CD1 3.82Å; V99-I108 HydrophobicContact CG1-CD1 4.47Å; V99-I108 PolarHBondContact O-N 2.92Å; D101-I108 HydrophobicContact CB-CD1 4.06Å; D101-I108 HydrophobicContact CB-CG1 4.22Å; Q106-I108 PolarHBondContact O-N 2.88Å; I108-W149 HydrophobicContact CG2-CH2 4.41Å; I108-R152 HydrophobicContact CG2-CB 4.09Å; I108-R152 WeakPolarHBondContact CG2-O 3.44Å |
| 109 | T | 92.3 | Very high | 89.9 | Confident | 19 Ų | 19 | 52.2 Ų | 52.2 | 12% | 0.117 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 165.2 | -177.5 | -168 | 0 | 0 | 0 | 0 | 111.6 | V99 W149 E153 | V99-T109 HydrophobicContact CB-CG2 3.91Å; V99-T109 HydrophobicContact CG2-CG2 3.89Å; V99-T109 PolarHBondContact N-O 3.1Å; V99-T109 PolarHBondContact O-N 3.39Å; T109-W149 HydrophobicContact CG2-CZ3 4.3Å; T109-E153 HydrophobicContact CG2-CG 4.43Å |
| 110 | T | 92 | Very high | 90 | Very high | 46 Ų | 46 | 52.2 Ų | 52.2 | 28% | 0.282 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 130.6 | 173.5 | -55.9 | 0 | 0 | 0 | 0 | 109 | Y98 Q107 S112 | Y98-T110 HydrophobicContact CD1-CG2 3.86Å; Y98-T110 VanDerWaalsContact CD1-OG1 3.29Å; Y98-T110 WeakPolarHBondContact CD1-OG1 3.42Å; Y98-T110 HydrophobicContact CE1-CG2 3.69Å; Y98-T110 WeakPolarHBondContact CE1-OG1 3.47Å; Q107-T110 PolarHBondContact NE2-OG1 2.96Å; Q107-T110 VanDerWaalsContact NE2-OG1 3.14Å; T110-S112 VanDerWaalsContact C-N 3.31Å; T110-S112 PolarHBondContact O-N 3.2Å |
| 111 | V | 92.4 | Very high | 90.1 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 6% | 0.061 | 28% | 0.281 | C | S | . | . | trans | -80.4 | 81.9 | 179.5 | -169.1 | 0 | 0 | 0 | 0 | 109.2 | I97 K113 A114 M136 Y147 F154 | I97-V111 HydrophobicContact CB-CB 4.27Å; I97-V111 HydrophobicContact CB-CG2 4.29Å; I97-V111 HydrophobicContact CG2-CG2 4Å; I97-V111 PolarHBondContact O-N 2.88Å; V111-K113 VanDerWaalsContact C-N 3.29Å; V111-K113 PolarHBondContact O-N 3Å; V111-A114 HydrophobicContact CB-CB 4.11Å; V111-A114 HydrophobicContact CG1-CB 3.72Å; V111-A114 WeakPolarHBondContact O-CB 3.5Å; V111-A114 PolarHBondContact O-N 2.9Å; V111-M136 HydrophobicContact CG2-CE 4.22Å; V111-Y147 HydrophobicContact CG1-CD1 4.31Å; V111-Y147 HydrophobicContact CG1-CE1 3.84Å; V111-Y147 HydrophobicContact CG1-CE2 4.1Å; V111-F154 HydrophobicContact CG2-CB 4Å; V111-F154 HydrophobicContact CG2-CD2 3.92Å; V111-F154 HydrophobicContact CG2-CG 4.34Å | ||
| 112 | S | 86.6 | Confident | 90.1 | Very high | 96 Ų | 96 | 51 Ų | 51 | 67% | 0.671 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -60.6 | -33.5 | -172.1 | 59.2 | 0 | 0 | 0 | 0 | 114 | T110 A114 K115 | T110-S112 VanDerWaalsContact C-N 3.31Å; T110-S112 PolarHBondContact O-N 3.2Å; S112-A114 PolarHBondContact O-N 2.87Å; S112-K115 PolarHBondContact O-N 2.85Å |
| 113 | K | 86.3 | Confident | 90.3 | Very high | 134 Ų | 134 | 53 Ų | 53 | 58% | 0.583 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -64.8 | -25.6 | 174.9 | -74.8 | -176.2 | 172.1 | -179.1 | 0 | 113.3 | V111 K115 Q145 E156 | V111-K113 VanDerWaalsContact C-N 3.29Å; V111-K113 PolarHBondContact O-N 3Å; K113-K115 VanDerWaalsContact C-N 3.26Å; K113-K115 PolarHBondContact O-N 2.82Å; K113-Q145 PolarHBondContact O-OE1 2.77Å; K113-E156 IonicContact NZ-OE2 3.58Å; K113-E156 PolarHBondContact NZ-OE2 2.94Å |
| 114 | A | 88.9 | Confident | 90.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -89.1 | 22.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | I97 V111 S112 G116 A117 V138 V140 Y147 | I97-A114 HydrophobicContact CD1-CB 4.37Å; V111-A114 HydrophobicContact CB-CB 4.11Å; V111-A114 HydrophobicContact CG1-CB 3.72Å; V111-A114 WeakPolarHBondContact O-CB 3.5Å; V111-A114 PolarHBondContact O-N 2.9Å; S112-A114 PolarHBondContact O-N 2.87Å; A114-G116 PolarHBondContact O-N 2.84Å; A114-A117 WeakPolarHBondContact O-CB 3.45Å; A114-A117 PolarHBondContact O-N 2.89Å; A114-A117 VanDerWaalsContact O-N 3.11Å; A114-V138 HydrophobicContact CB-CG1 4.07Å; A114-V140 HydrophobicContact CB-CG2 4.4Å; A114-Y147 HydrophobicContact CB-CE2 4.39Å |
| 115 | K | 88.9 | Confident | 90.4 | Very high | 159 Ų | 159 | 50.3 Ų | 50.3 | 69% | 0.691 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 123.9 | 178.8 | -178.5 | 167.9 | -173.2 | 179.7 | 0 | 111 | N96 S112 K113 | N96-K115 WeakPolarHBondContact OD1-CG 3.32Å; S112-K115 PolarHBondContact O-N 2.85Å; K113-K115 VanDerWaalsContact C-N 3.26Å; K113-K115 PolarHBondContact O-N 2.82Å |
| 116 | G | 89.8 | Confident | 90.1 | Very high | 24 Ų | 24 | 55.5 Ų | 55.5 | 25% | 0.247 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94 | 18.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | N95 A114 | N95-G116 CarbonylContact O-C 3.59Å; N95-G116 WeakPolarHBondContact O-CA 3.5Å; N95-G116 PolarHBondContact O-N 2.89Å; A114-G116 PolarHBondContact O-N 2.84Å |
| 117 | A | 92.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.1 | 138 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L92 N95 I97 A114 V138 A139 V140 | L92-A117 HydrophobicContact CD1-CB 3.7Å; N95-A117 WeakPolarHBondContact CA-O 3.03Å; N95-A117 WeakPolarHBondContact CB-O 3.13Å; N95-A117 PolarHBondContact O-N 2.88Å; I97-A117 HydrophobicContact CD1-CB 4.18Å; I97-A117 HydrophobicContact CG1-CB 4.07Å; A114-A117 WeakPolarHBondContact O-CB 3.45Å; A114-A117 PolarHBondContact O-N 2.89Å; A114-A117 VanDerWaalsContact O-N 3.11Å; A117-V138 HydrophobicContact CB-CG1 3.62Å; A117-A139 CarbonylContact C-O 3.57Å; A117-A139 WeakPolarHBondContact CA-O 3.38Å; A117-V140 HydrophobicContact CB-CG2 4.39Å |
| 118 | S | 92.2 | Very high | 88.5 | Confident | 45 Ų | 45 | 56.2 Ų | 56.2 | 32% | 0.315 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | -33.4 | -179.9 | 54 | 0 | 0 | 0 | 0 | 112.2 | A139 | S118-A139 PolarHBondContact N-O 2.9Å; S118-A139 PolarHBondContact OG-O 3.37Å |
| 119 | L | 93.3 | Very high | 87.5 | Confident | 19 Ų | 19 | 58.8 Ų | 58.8 | 10% | 0.099 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 166.5 | 168.7 | 71.3 | 142.6 | 0 | 0 | 0 | 110.7 | A139 P167 M170 | L119-A139 HydrophobicContact CD2-CB 3.68Å; L119-A139 HydrophobicContact CG-CB 3.91Å; L119-A139 PolarHBondContact O-N 2.77Å; L119-P167 VanDerWaalsContact CD2-C 3.48Å; L119-P167 HydrophobicContact CD2-CB 3.7Å; L119-P167 WeakPolarHBondContact CD2-O 3.12Å; L119-M170 HydrophobicContact CD1-CB 4Å; L119-M170 HydrophobicContact CD1-CG 3.28Å; L119-M170 HydrophobicContact CD1-SD 3.22Å; L119-M170 WeakPolarHBondContact CD1-SD 3.49Å; L119-M170 HydrophobicContact CD2-SD 4.43Å; L119-M170 HydrophobicContact CG-CG 4.25Å; L119-M170 HydrophobicContact CG-SD 3.49Å; L119-M170 WeakPolarHBondContact CG-SD 3.22Å |
| 120 | F | 95.2 | Very high | 86.7 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 0% | 0.004 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 160.6 | 171 | 72.7 | -84.5 | 0 | 0 | 0 | 111.3 | Q79 H81 V90 L92 I97 M136 C137 V138 | Q79-F120 HydrophobicContact CB-CD1 4.42Å; Q79-F120 HydrophobicContact CB-CE1 3.83Å; Q79-F120 HydrophobicContact CG-CD1 4.27Å; Q79-F120 HydrophobicContact CG-CE1 3.68Å; Q79-F120 HydrophobicContact CG-CZ 4.12Å; Q79-F120 PolarHBondContact NE2-O 2.68Å; Q79-F120 VanDerWaalsContact OE1-CD1 3.32Å; Q79-F120 VanDerWaalsContact OE1-N 3.12Å; Q79-F120 PolarHBondContact OE1-O 3.45Å; H81-F120 HydrophobicContact CB-CE2 3.57Å; H81-F120 HydrophobicContact CB-CZ 3.77Å; V90-F120 HydrophobicContact CB-CE2 3.87Å; V90-F120 HydrophobicContact CB-CZ 4.01Å; V90-F120 HydrophobicContact CG1-CD2 4.05Å; V90-F120 HydrophobicContact CG1-CE1 4.3Å; V90-F120 HydrophobicContact CG1-CE2 3.51Å; V90-F120 HydrophobicContact CG1-CZ 3.66Å; L92-F120 HydrophobicContact CB-CD1 4.08Å; L92-F120 HydrophobicContact CB-CE1 3.91Å; I97-F120 HydrophobicContact CD1-CB 4Å; I97-F120 HydrophobicContact CD1-CG 4.4Å; F120-M136 HydrophobicContact CB-CG 4.46Å; F120-M136 HydrophobicContact CB-SD 4.49Å; F120-M136 HydrophobicContact CD2-CG 4.32Å; F120-M136 HydrophobicContact CD2-SD 4.06Å; F120-M136 HydrophobicContact CG-SD 4.5Å; F120-C137 CarbonylContact C-O 3.59Å; F120-C137 WeakPolarHBondContact CA-O 3.45Å; F120-C137 WeakPolarHBondContact CB-O 3.43Å; F120-V138 HydrophobicContact CB-CG2 4.19Å |
| 121 | T | 93.9 | Very high | 86.2 | Confident | 23 Ų | 23 | 64.9 Ų | 64.9 | 14% | 0.141 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 145 | 166.1 | -173.1 | 0 | 0 | 0 | 0 | 109.7 | M136 C137 M170 W172 | T121-M136 CarbonylContact O-C 3.55Å; T121-M136 WeakPolarHBondContact O-CA 3.42Å; T121-C137 HydrophobicContact CG2-CB 4.14Å; T121-C137 PolarHBondContact N-O 2.88Å; T121-C137 PolarHBondContact O-N 3.27Å; T121-M170 HydrophobicContact CG2-CB 4.47Å; T121-M170 HydrophobicContact CG2-CE 3.78Å; T121-M170 HydrophobicContact CG2-CG 3.61Å; T121-M170 HydrophobicContact CG2-SD 4.17Å; T121-W172 HydrophobicContact CG2-CG 4.31Å; T121-W172 PolarHBondContact O-NE1 3.19Å |
| 122 | C | 92.8 | Very high | 86 | Confident | 12 Ų | 12 | 68 Ų | 68 | 8% | 0.081 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 152.8 | 175.6 | -67.3 | 0 | 0 | 0 | 0 | 109.8 | H81 L134 R135 | H81-C122 VanDerWaalsContact CD2-CB 3.49Å; H81-C122 WeakPolarHBondContact CD2-CB 3.08Å; C122-L134 HydrophobicContact CB-CD1 3.99Å; C122-R135 CarbonylContact C-O 3.58Å; C122-R135 WeakPolarHBondContact CA-O 3.38Å |
| 123 | D | 91.1 | Very high | 86.1 | Confident | 42 Ų | 42 | 65.8 Ų | 65.8 | 23% | 0.225 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 134 | 174.1 | 173.1 | 48.7 | 0 | 0 | 0 | 109.1 | Q125 R135 W172 | D123-Q125 VanDerWaalsContact OD2-CG 3.28Å; D123-Q125 WeakPolarHBondContact OD2-CG 3.34Å; D123-R135 PolarHBondContact N-O 3.18Å; D123-R135 PolarHBondContact O-N 2.89Å; D123-R135 IonicContact OD2-CZ 2.63Å; D123-R135 IonicContact OD2-NE 3.5Å; D123-R135 IonicContact OD2-NH2 3.32Å; D123-R135 PolarHBondContact OD2-NH2 3.05Å; D123-W172 HydrophobicContact CB-CB 3.89Å; D123-W172 HydrophobicContact CB-CD2 3.83Å; D123-W172 HydrophobicContact CB-CG 3.45Å; D123-W172 VanDerWaalsContact CB-CG 3.45Å |
| 124 | L | 88.4 | Confident | 86.4 | Confident | 44 Ų | 44 | 59.4 Ų | 59.4 | 23% | 0.23 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 107.4 | -178.9 | -175.8 | 72.8 | 0 | 0 | 0 | 107.9 | Q85 F86 E132 L134 | Q85-L124 HydrophobicContact CB-CD2 4.4Å; Q85-L124 HydrophobicContact CG-CD2 3.75Å; F86-L124 HydrophobicContact CD2-CD1 4.33Å; F86-L124 HydrophobicContact CE2-CD1 3.63Å; L124-E132 HydrophobicContact CD1-CB 4.19Å; L124-L134 HydrophobicContact CD1-CB 4.21Å |
| 125 | Q | 82.9 | Confident | 86.6 | Confident | 60 Ų | 60 | 60.3 Ų | 60.3 | 28% | 0.28 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 147.1 | 177.4 | -67.8 | -164 | -41.2 | 0 | 0 | 111.4 | D123 E132 V133 R135 | D123-Q125 VanDerWaalsContact OD2-CG 3.28Å; D123-Q125 WeakPolarHBondContact OD2-CG 3.34Å; Q125-E132 CarbonylContact O-C 3.5Å; Q125-E132 WeakPolarHBondContact O-CA 3.5Å; Q125-V133 PolarHBondContact N-O 2.92Å; Q125-V133 PolarHBondContact O-N 2.9Å; Q125-R135 VanDerWaalsContact NE2-CZ 3.3Å |
| 126 | H | 81.5 | Confident | 86.8 | Confident | 122 Ų | 122 | 52.8 Ų | 52.8 | 57% | 0.565 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99 | 122.4 | 166.6 | -62.9 | 84.7 | 0 | 0 | 0 | 108.7 | E132 | H126-E132 IonicContact CD2-OE1 3.51Å; H126-E132 IonicContact CE1-OE1 2.86Å; H126-E132 IonicContact NE2-OE1 2.63Å; H126-E132 PolarHBondContact NE2-OE1 2.96Å |
| 127 | T | 74.9 | Confident | 87 | Confident | 51 Ų | 51 | 51.6 Ų | 51.6 | 31% | 0.313 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 163.2 | 173.8 | 60.6 | 0 | 0 | 0 | 0 | 110.9 | T129 G130 E131 V133 | T127-T129 PolarHBondContact O-N 2.89Å; T127-T129 VanDerWaalsContact O-N 3.07Å; T127-T129 PolarHBondContact OG1-OG1 2.81Å; T127-G130 PolarHBondContact O-N 2.9Å; T127-E131 PolarHBondContact N-O 2.86Å; T127-E131 WeakPolarHBondContact OG1-CB 3.3Å; T127-E131 PolarHBondContact OG1-N 2.84Å; T127-E131 PolarHBondContact OG1-O 2.85Å; T127-E131 VanDerWaalsContact OG1-O 3.12Å; T127-V133 HydrophobicContact CG2-CG2 3.72Å |
| 128 | E | 71.6 | Confident | 87.1 | Confident | 214 Ų | 214 | 51.6 Ų | 51.6 | 100% | 1 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -22.3 | 173 | -63.2 | -177 | 172 | 0 | 0 | 112.9 | G130 | E128-G130 VanDerWaalsContact C-N 3.32Š|
| 129 | T | 70.7 | Confident | 87.3 | Confident | 113 Ų | 113 | 49.5 Ų | 49.5 | 69% | 0.693 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -2.8 | 175.2 | 54.5 | 0 | 0 | 0 | 0 | 113.7 | T127 E131 | T127-T129 PolarHBondContact O-N 2.89Å; T127-T129 VanDerWaalsContact O-N 3.07Å; T127-T129 PolarHBondContact OG1-OG1 2.81Å; T129-E131 VanDerWaalsContact C-N 3.34Å |
| 130 | G | 74.9 | Confident | 87.3 | Confident | 59 Ų | 59 | 49.3 Ų | 49.3 | 61% | 0.608 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 79.7 | 9.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | T127 E128 | T127-G130 PolarHBondContact O-N 2.9Å; E128-G130 VanDerWaalsContact C-N 3.32Å |
| 131 | E | 82.1 | Confident | 87.1 | Confident | 135 Ų | 135 | 56.7 Ų | 56.7 | 63% | 0.631 | 30% | 0.298 | S | S | * | . | trans | -82.3 | 137.4 | 175.1 | -63.8 | -175.2 | 161.6 | 0 | 0 | 110.4 | T127 T129 | T127-E131 PolarHBondContact N-O 2.86Å; T127-E131 WeakPolarHBondContact OG1-CB 3.3Å; T127-E131 PolarHBondContact OG1-N 2.84Å; T127-E131 PolarHBondContact OG1-O 2.85Å; T127-E131 VanDerWaalsContact OG1-O 3.12Å; T129-E131 VanDerWaalsContact C-N 3.34Å | ||
| 132 | E | 86.6 | Confident | 87 | Confident | 76 Ų | 76 | 60.6 Ų | 60.6 | 36% | 0.355 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 127 | 176.8 | -63.3 | -172.4 | 148.3 | 0 | 0 | 110.1 | Q85 F86 L124 Q125 H126 | Q85-E132 VanDerWaalsContact CB-OE2 3.27Å; Q85-E132 WeakPolarHBondContact CB-OE2 3.14Å; Q85-E132 VanDerWaalsContact CG-OE2 3.26Å; Q85-E132 WeakPolarHBondContact CG-OE2 3.45Å; F86-E132 HydrophobicContact CZ-CB 4.29Å; F86-E132 WeakPolarHBondContact CZ-O 3.47Å; L124-E132 HydrophobicContact CD1-CB 4.19Å; Q125-E132 CarbonylContact O-C 3.5Å; Q125-E132 WeakPolarHBondContact O-CA 3.5Å; H126-E132 IonicContact CD2-OE1 3.51Å; H126-E132 IonicContact CE1-OE1 2.86Å; H126-E132 IonicContact NE2-OE1 2.63Å; H126-E132 PolarHBondContact NE2-OE1 2.96Å |
| 133 | V | 89.2 | Confident | 86.9 | Confident | 48 Ų | 48 | 64.4 Ų | 64.4 | 29% | 0.291 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 114.4 | 179 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | Q125 T127 R135 | Q125-V133 PolarHBondContact N-O 2.92Å; Q125-V133 PolarHBondContact O-N 2.9Å; T127-V133 HydrophobicContact CG2-CG2 3.72Å; V133-R135 HydrophobicContact CG1-CG 4.35Å |
| 134 | L | 92.9 | Very high | 87 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 120.5 | 173.8 | 172.6 | 69.6 | 0 | 0 | 0 | 110.2 | V83 F86 I88 C122 L124 F148 W149 F154 | V83-L134 HydrophobicContact CB-CD2 4.32Å; V83-L134 HydrophobicContact CG1-CD1 4.13Å; V83-L134 HydrophobicContact CG1-CD2 4.09Å; V83-L134 HydrophobicContact CG2-CD1 3.96Å; V83-L134 HydrophobicContact CG2-CD2 3.93Å; F86-L134 HydrophobicContact CD2-CB 3.87Å; F86-L134 HydrophobicContact CD2-CD2 4.12Å; F86-L134 HydrophobicContact CE2-CB 3.51Å; F86-L134 HydrophobicContact CZ-CB 4.43Å; I88-L134 HydrophobicContact CD1-CD2 3.72Å; C122-L134 HydrophobicContact CB-CD1 3.99Å; L124-L134 HydrophobicContact CD1-CB 4.21Å; L134-F148 CarbonylContact O-C 3.55Å; L134-F148 WeakPolarHBondContact O-CA 3.4Å; L134-W149 HydrophobicContact CB-CB 3.86Å; L134-W149 HydrophobicContact CD2-CB 3.88Å; L134-W149 HydrophobicContact CD2-CG 4.16Å; L134-W149 HydrophobicContact CG-CB 4.14Å; L134-W149 PolarHBondContact O-N 2.83Å; L134-F154 HydrophobicContact CD2-CE1 4.17Å; L134-F154 HydrophobicContact CD2-CZ 3.92Å; L134-F154 HydrophobicContact CG-CE1 4.41Å |
| 135 | R | 92.4 | Very high | 87.2 | Confident | 19 Ų | 19 | 61.2 Ų | 61.2 | 7% | 0.072 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 144.9 | 171.6 | -57.5 | -177.6 | -57.5 | 173.2 | 12.1 | 109.7 | C122 D123 Q125 V133 Y147 W172 E174 N175 | C122-R135 CarbonylContact C-O 3.58Å; C122-R135 WeakPolarHBondContact CA-O 3.38Å; D123-R135 PolarHBondContact N-O 3.18Å; D123-R135 PolarHBondContact O-N 2.89Å; D123-R135 IonicContact OD2-CZ 2.63Å; D123-R135 IonicContact OD2-NE 3.5Å; D123-R135 IonicContact OD2-NH2 3.32Å; D123-R135 PolarHBondContact OD2-NH2 3.05Å; Q125-R135 VanDerWaalsContact NE2-CZ 3.3Å; V133-R135 HydrophobicContact CG1-CG 4.35Å; R135-Y147 CarbonylContact C-O 3.46Å; R135-Y147 WeakPolarHBondContact CA-O 3.36Å; R135-W172 HydrophobicContact CB-CH2 4.22Å; R135-W172 HydrophobicContact CB-CZ2 4.05Å; R135-E174 PolarHBondContact NH2-O 2.96Å; R135-N175 PolarHBondContact NH1-OD1 2.88Å |
| 136 | M | 94.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 129.4 | 175.9 | -178.8 | 177.7 | 62.5 | 0 | 0 | 109.6 | V90 I97 V111 F120 T121 V138 Y147 F154 | V90-M136 HydrophobicContact CG1-SD 3.92Å; I97-M136 HydrophobicContact CD1-CE 4.34Å; I97-M136 HydrophobicContact CD1-SD 4.31Å; I97-M136 HydrophobicContact CG2-CE 4.25Å; I97-M136 HydrophobicContact CG2-SD 4.28Å; V111-M136 HydrophobicContact CG2-CE 4.22Å; F120-M136 HydrophobicContact CB-CG 4.46Å; F120-M136 HydrophobicContact CB-SD 4.49Å; F120-M136 HydrophobicContact CD2-CG 4.32Å; F120-M136 HydrophobicContact CD2-SD 4.06Å; F120-M136 HydrophobicContact CG-SD 4.5Å; T121-M136 CarbonylContact O-C 3.55Å; T121-M136 WeakPolarHBondContact O-CA 3.42Å; M136-V138 HydrophobicContact CE-CG2 3.78Å; M136-V138 HydrophobicContact CG-CG2 3.94Å; M136-V138 HydrophobicContact SD-CG2 4.06Å; M136-Y147 HydrophobicContact CE-CD2 4.02Å; M136-Y147 HydrophobicContact CE-CG 4.34Å; M136-Y147 PolarHBondContact N-O 2.77Å; M136-Y147 PolarHBondContact O-N 2.97Å; M136-F154 HydrophobicContact CB-CD1 4.33Å; M136-F154 HydrophobicContact CB-CE1 3.78Å; M136-F154 HydrophobicContact CB-CZ 4.2Å; M136-F154 HydrophobicContact CE-CB 4.44Å; M136-F154 HydrophobicContact CE-CD1 3.91Å; M136-F154 HydrophobicContact CE-CD2 3.69Å; M136-F154 HydrophobicContact CE-CE1 4.02Å; M136-F154 HydrophobicContact CE-CE2 3.81Å; M136-F154 HydrophobicContact CE-CG 3.75Å; M136-F154 HydrophobicContact CE-CZ 3.97Å; M136-F154 HydrophobicContact SD-CE1 4.42Å; M136-F154 HydrophobicContact SD-CE2 4.16Å; M136-F154 HydrophobicContact SD-CZ 4.05Å |
| 137 | C | 94.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 133.1 | 169.6 | -174.1 | 0 | 0 | 0 | 0 | 109.6 | F120 T121 Q145 L146 M170 W172 I177 | F120-C137 CarbonylContact C-O 3.59Å; F120-C137 WeakPolarHBondContact CA-O 3.45Å; F120-C137 WeakPolarHBondContact CB-O 3.43Å; T121-C137 HydrophobicContact CG2-CB 4.14Å; T121-C137 PolarHBondContact N-O 2.88Å; T121-C137 PolarHBondContact O-N 3.27Å; C137-Q145 WeakPolarHBondContact CA-O 3.37Å; C137-L146 HydrophobicContact CB-CD2 3.44Å; C137-L146 VanDerWaalsContact CB-CD2 3.44Å; C137-L146 WeakPolarHBondContact SG-CD2 3.29Å; C137-M170 HydrophobicContact CB-CE 3.52Å; C137-M170 WeakPolarHBondContact SG-CE 3.21Å; C137-W172 HydrophobicContact CB-CH2 4.47Å; C137-W172 HydrophobicContact CB-CZ2 3.66Å; C137-I177 HydrophobicContact CB-CD1 3.87Å |
| 138 | V | 95 | Very high | 89.1 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 128.2 | -176.1 | -176.1 | 0 | 0 | 0 | 0 | 110 | I97 A114 A117 F120 M136 V140 L144 Q145 Y147 | I97-V138 HydrophobicContact CD1-CB 3.93Å; I97-V138 HydrophobicContact CD1-CG1 3.36Å; I97-V138 HydrophobicContact CD1-CG2 3.27Å; I97-V138 HydrophobicContact CG1-CG1 4.5Å; A114-V138 HydrophobicContact CB-CG1 4.07Å; A117-V138 HydrophobicContact CB-CG1 3.62Å; F120-V138 HydrophobicContact CB-CG2 4.19Å; M136-V138 HydrophobicContact CE-CG2 3.78Å; M136-V138 HydrophobicContact CG-CG2 3.94Å; M136-V138 HydrophobicContact SD-CG2 4.06Å; V138-V140 HydrophobicContact CG1-CG2 3.96Å; V138-L144 WeakPolarHBondContact O-CA 3.27Å; V138-Q145 PolarHBondContact N-O 3.04Å; V138-Q145 PolarHBondContact O-N 2.92Å; V138-Y147 HydrophobicContact CB-CE2 4.21Å; V138-Y147 HydrophobicContact CG2-CD2 3.83Å; V138-Y147 HydrophobicContact CG2-CE2 3.84Å |
| 139 | A | 94.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 110.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | A117 S118 L119 L144 P167 M170 | A117-A139 CarbonylContact C-O 3.57Å; A117-A139 WeakPolarHBondContact CA-O 3.38Å; S118-A139 PolarHBondContact N-O 2.9Å; S118-A139 PolarHBondContact OG-O 3.37Å; L119-A139 HydrophobicContact CD2-CB 3.68Å; L119-A139 HydrophobicContact CG-CB 3.91Å; L119-A139 PolarHBondContact O-N 2.77Å; A139-L144 HydrophobicContact CB-CD2 3.88Å; A139-P167 HydrophobicContact CB-CB 3.74Å; A139-P167 HydrophobicContact CB-CG 3.73Å; A139-M170 HydrophobicContact CB-SD 4.35Å |
| 140 | V | 93.9 | Very high | 91.1 | Very high | 16 Ų | 16 | 44.1 Ų | 44.1 | 10% | 0.097 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 104.6 | 176.1 | -177.2 | 0 | 0 | 0 | 0 | 109 | A114 A117 V138 K142 K143 Q145 | A114-V140 HydrophobicContact CB-CG2 4.4Å; A117-V140 HydrophobicContact CB-CG2 4.39Å; V138-V140 HydrophobicContact CG1-CG2 3.96Å; V140-K142 PolarHBondContact O-N 3.06Å; V140-K142 VanDerWaalsContact O-N 3.12Å; V140-K143 PolarHBondContact N-O 3.33Å; V140-K143 PolarHBondContact O-N 3.46Å; V140-Q145 HydrophobicContact CG2-CG 4.34Å |
| 141 | K | 90 | Very high | 91.6 | Very high | 155 Ų | 155 | 47.4 Ų | 47.4 | 67% | 0.674 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | -114.9 | -174.5 | -57 | 177.3 | 179.8 | 176.3 | 0 | 111 | V166 P167 | K141-V166 WeakPolarHBondContact O-CA 3.44Å; K141-P167 WeakPolarHBondContact O-CD 3.38Å |
| 142 | K | 92.2 | Very high | 92 | Very high | 106 Ų | 106 | 50 Ų | 50 | 46% | 0.461 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | 32 | 178.9 | -64 | -164.7 | 173.3 | -153.1 | 0 | 112.7 | V140 V163 P164 D165 V166 | V140-K142 PolarHBondContact O-N 3.06Å; V140-K142 VanDerWaalsContact O-N 3.12Å; K142-V163 VanDerWaalsContact O-CG2 3.29Å; K142-V163 WeakPolarHBondContact O-CG2 3.37Å; K142-V163 PolarHBondContact O-N 3.34Å; K142-P164 PolarHBondContact NZ-O 3.24Å; K142-D165 IonicContact NZ-OD1 2.68Å; K142-V166 HydrophobicContact CG-CG2 4.28Å |
| 143 | K | 92.1 | Very high | 92.2 | Very high | 92 Ų | 92 | 51.2 Ų | 51.2 | 40% | 0.4 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 146.7 | 179.5 | -61.6 | -177.9 | 168.3 | -164.3 | 0 | 111.2 | V140 D160 F161 | V140-K143 PolarHBondContact N-O 3.33Å; V140-K143 PolarHBondContact O-N 3.46Å; K143-D160 HydrophobicContact CD-CB 4.21Å; K143-D160 WeakPolarHBondContact CD-OD2 3.41Å; K143-D160 IonicContact NZ-OD2 3.77Å; K143-D160 PolarHBondContact NZ-OD2 2.96Å; K143-F161 CarbonylContact C-O 3.6Å; K143-F161 VanDerWaalsContact CA-O 3.23Å; K143-F161 WeakPolarHBondContact CA-O 3.36Å |
| 144 | L | 92.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 127.4 | 168.3 | -59.7 | 177.5 | 0 | 0 | 0 | 109.4 | V138 A139 D160 F161 V163 P167 M170 V179 I188 | V138-L144 WeakPolarHBondContact O-CA 3.27Å; A139-L144 HydrophobicContact CB-CD2 3.88Å; L144-D160 WeakPolarHBondContact O-CA 3.31Å; L144-F161 HydrophobicContact CB-CB 4.29Å; L144-F161 PolarHBondContact N-O 3.47Å; L144-F161 PolarHBondContact O-N 3.37Å; L144-V163 HydrophobicContact CD1-CG1 3.76Å; L144-V163 HydrophobicContact CG-CG1 3.8Å; L144-P167 HydrophobicContact CD2-CG 3.78Å; L144-M170 HydrophobicContact CD2-CE 4.15Å; L144-V179 HydrophobicContact CD1-CG2 3.94Å; L144-I188 HydrophobicContact CD1-CD1 3.39Å |
| 145 | Q | 93.2 | Very high | 92.2 | Very high | 19 Ų | 19 | 53.2 Ų | 53.2 | 9% | 0.089 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 134.3 | 178.2 | -51 | -166.8 | -60.7 | 0 | 0 | 108.7 | K113 C137 V138 V140 Y147 D160 | K113-Q145 PolarHBondContact O-OE1 2.77Å; C137-Q145 WeakPolarHBondContact CA-O 3.37Å; V138-Q145 PolarHBondContact N-O 3.04Å; V138-Q145 PolarHBondContact O-N 2.92Å; V140-Q145 HydrophobicContact CG2-CG 4.34Å; Q145-Y147 HydrophobicContact CB-CD2 4.47Å; Q145-Y147 HydrophobicContact CB-CE2 3.58Å; Q145-Y147 PolarHBondContact OE1-OH 2.75Å; Q145-Y147 VanDerWaalsContact OE1-OH 3.06Å; Q145-D160 WeakPolarHBondContact CG-OD1 3.49Å; Q145-D160 PolarHBondContact NE2-OD1 3.37Å |
| 146 | L | 92.4 | Very high | 92 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 131.4 | -176.6 | -66.2 | 172.7 | 0 | 0 | 0 | 110.6 | C137 E156 L157 Q158 F161 W172 I177 V190 | C137-L146 HydrophobicContact CB-CD2 3.44Å; C137-L146 VanDerWaalsContact CB-CD2 3.44Å; C137-L146 WeakPolarHBondContact SG-CD2 3.29Å; L146-E156 WeakPolarHBondContact O-CA 3.33Å; L146-L157 HydrophobicContact CB-CB 4.08Å; L146-L157 HydrophobicContact CB-CD2 4.43Å; L146-L157 PolarHBondContact O-N 2.85Å; L146-Q158 HydrophobicContact CB-CG 4.35Å; L146-Q158 HydrophobicContact CD1-CG 3.75Å; L146-F161 HydrophobicContact CD1-CD2 3.96Å; L146-F161 HydrophobicContact CD1-CE2 3.38Å; L146-F161 HydrophobicContact CD1-CZ 4.27Å; L146-F161 HydrophobicContact CG-CE2 4.44Å; L146-W172 HydrophobicContact CD2-CH2 3.74Å; L146-W172 HydrophobicContact CD2-CZ2 4Å; L146-I177 HydrophobicContact CD2-CD1 3.65Å; L146-V190 HydrophobicContact CD1-CG1 3.9Å; L146-V190 HydrophobicContact CD1-CG2 4.34Å |
| 147 | Y | 93.1 | Very high | 91.5 | Very high | 5 Ų | 5 | 59.4 Ų | 59.4 | 2% | 0.02 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 152.3 | -179.1 | -58.9 | -83.6 | 0 | 0 | 0 | 110.6 | V111 A114 R135 M136 V138 Q145 F154 H155 E156 | V111-Y147 HydrophobicContact CG1-CD1 4.31Å; V111-Y147 HydrophobicContact CG1-CE1 3.84Å; V111-Y147 HydrophobicContact CG1-CE2 4.1Å; A114-Y147 HydrophobicContact CB-CE2 4.39Å; R135-Y147 CarbonylContact C-O 3.46Å; R135-Y147 WeakPolarHBondContact CA-O 3.36Å; M136-Y147 HydrophobicContact CE-CD2 4.02Å; M136-Y147 HydrophobicContact CE-CG 4.34Å; M136-Y147 PolarHBondContact N-O 2.77Å; M136-Y147 PolarHBondContact O-N 2.97Å; V138-Y147 HydrophobicContact CB-CE2 4.21Å; V138-Y147 HydrophobicContact CG2-CD2 3.83Å; V138-Y147 HydrophobicContact CG2-CE2 3.84Å; Q145-Y147 HydrophobicContact CB-CD2 4.47Å; Q145-Y147 HydrophobicContact CB-CE2 3.58Å; Q145-Y147 PolarHBondContact OE1-OH 2.75Å; Q145-Y147 VanDerWaalsContact OE1-OH 3.06Å; Y147-F154 HydrophobicContact CD1-CB 4.3Å; Y147-F154 HydrophobicContact CG-CB 4.33Å; Y147-H155 CarbonylContact C-O 3.54Å; Y147-H155 WeakPolarHBondContact CA-O 3.3Å; Y147-E156 HydrophobicContact CE1-CB 4.46Å |
| 148 | F | 92.8 | Very high | 90.9 | Very high | 53 Ų | 53 | 61.3 Ų | 61.3 | 23% | 0.232 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 148.7 | 166 | 69.9 | -83.5 | 0 | 0 | 0 | 109.6 | L134 K150 F154 H155 L157 | L134-F148 CarbonylContact O-C 3.55Å; L134-F148 WeakPolarHBondContact O-CA 3.4Å; F148-K150 HydrophobicContact CD2-CB 4.01Å; F148-K150 HydrophobicContact CE2-CB 3.69Å; F148-K150 HydrophobicContact CE2-CD 3.97Å; F148-K150 HydrophobicContact CE2-CG 4.45Å; F148-F154 WeakPolarHBondContact O-CA 3.32Å; F148-H155 HydrophobicContact CD1-CB 4.08Å; F148-H155 WeakPolarHBondContact CD1-O 3.44Å; F148-H155 HydrophobicContact CE1-CB 3.51Å; F148-H155 HydrophobicContact CE2-CB 3.99Å; F148-H155 HydrophobicContact CZ-CB 3.46Å; F148-H155 VanDerWaalsContact CZ-CB 3.46Å; F148-H155 PolarHBondContact N-O 2.85Å; F148-H155 PolarHBondContact O-N 2.82Å; F148-L157 HydrophobicContact CB-CD1 4.25Å; F148-L157 HydrophobicContact CD1-CB 4.01Å; F148-L157 HydrophobicContact CD1-CD1 3.76Å; F148-L157 HydrophobicContact CE1-CD1 4.49Å; F148-L157 HydrophobicContact CG-CD1 4.26Å |
| 149 | W | 93.5 | Very high | 90.2 | Very high | 27 Ų | 27 | 63.4 Ų | 63.4 | 10% | 0.102 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 123.7 | -179.8 | -177.3 | -108.4 | 0 | 0 | 0 | 110.8 | F86 I88 V99 I108 T109 L134 R152 F154 | F86-W149 AromaticContact CD1-CD1 3.64Å; F86-W149 AromaticContact CD1-NE1 3.72Å; F86-W149 AromaticContact CE1-CD1 3.93Å; F86-W149 AromaticContact CG-CD1 3.75Å; F86-W149 AromaticContact CG-NE1 3.84Å; I88-W149 HydrophobicContact CD1-CD2 3.96Å; I88-W149 HydrophobicContact CD1-CE3 4.15Å; I88-W149 HydrophobicContact CD1-CH2 4.19Å; I88-W149 HydrophobicContact CD1-CZ2 3.98Å; I88-W149 HydrophobicContact CD1-CZ3 4.27Å; I88-W149 HydrophobicContact CG2-CH2 4.13Å; I88-W149 HydrophobicContact CG2-CZ2 3.72Å; V99-W149 HydrophobicContact CB-CZ3 4.45Å; V99-W149 HydrophobicContact CG1-CH2 3.76Å; V99-W149 HydrophobicContact CG1-CZ3 3.89Å; V99-W149 HydrophobicContact CG2-CZ3 4.24Å; I108-W149 HydrophobicContact CG2-CH2 4.41Å; T109-W149 HydrophobicContact CG2-CZ3 4.3Å; L134-W149 HydrophobicContact CB-CB 3.86Å; L134-W149 HydrophobicContact CD2-CB 3.88Å; L134-W149 HydrophobicContact CD2-CG 4.16Å; L134-W149 HydrophobicContact CG-CB 4.14Å; L134-W149 PolarHBondContact O-N 2.83Å; W149-R152 HydrophobicContact CH2-CB 4.5Å; W149-R152 WeakPolarHBondContact CH2-O 3.5Å; W149-R152 VanDerWaalsContact CZ2-CA 3.49Å; W149-R152 HydrophobicContact CZ2-CB 4.33Å; W149-F154 HydrophobicContact CB-CD1 4.29Å; W149-F154 HydrophobicContact CB-CE1 3.93Å; W149-F154 HydrophobicContact CE3-CD1 4.06Å; W149-F154 AromaticContact CE3-CD2 3.7Å; W149-F154 HydrophobicContact CE3-CD2 3.7Å; W149-F154 HydrophobicContact CE3-CE1 4.02Å; W149-F154 AromaticContact CE3-CE2 3.64Å; W149-F154 HydrophobicContact CE3-CE2 3.64Å; W149-F154 AromaticContact CE3-CG 3.91Å; W149-F154 HydrophobicContact CE3-CG 3.91Å; W149-F154 AromaticContact CE3-CZ 3.81Å; W149-F154 HydrophobicContact CE3-CZ 3.81Å; W149-F154 AromaticContact CZ3-CD2 3.85Å; W149-F154 HydrophobicContact CZ3-CD2 3.85Å; W149-F154 AromaticContact CZ3-CE2 3.89Å; W149-F154 HydrophobicContact CZ3-CE2 3.89Å; W149-F154 HydrophobicContact CZ3-CG 4.41Å; W149-F154 HydrophobicContact CZ3-CZ 4.48Å |
| 150 | K | 90.3 | Very high | 89.9 | Confident | 114 Ų | 114 | 66.1 Ų | 66.1 | 50% | 0.496 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 145.7 | 174.1 | -171 | 179.5 | 173.8 | 176.9 | 0 | 109.9 | F148 R152 E153 H155 | F148-K150 HydrophobicContact CD2-CB 4.01Å; F148-K150 HydrophobicContact CE2-CB 3.69Å; F148-K150 HydrophobicContact CE2-CD 3.97Å; F148-K150 HydrophobicContact CE2-CG 4.45Å; K150-R152 PolarHBondContact O-N 3.44Å; K150-E153 PolarHBondContact N-O 2.66Å; K150-E153 CarbonylContact O-C 3.14Å; K150-E153 PolarHBondContact O-N 3.09Å; K150-H155 PolarHBondContact O-CD2 3.29Å; K150-H155 PolarHBondContact O-NE2 2.68Å |
| 151 | D | 86.6 | Confident | 89.7 | Confident | 128 Ų | 128 | 66.2 Ų | 66.2 | 68% | 0.684 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 35.5 | 173.8 | -57.5 | -36.8 | 0 | 0 | 0 | 114.6 | E153 | D151-E153 PolarHBondContact O-N 2.88Š|
| 152 | R | 89 | Confident | 89.6 | Confident | 190 Ų | 190 | 63 Ų | 63 | 72% | 0.717 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 16.8 | -176.1 | -61.3 | -176.5 | 167.1 | -170.4 | -4.9 | 115.7 | I108 W149 K150 | I108-R152 HydrophobicContact CG2-CB 4.09Å; I108-R152 WeakPolarHBondContact CG2-O 3.44Å; W149-R152 HydrophobicContact CH2-CB 4.5Å; W149-R152 WeakPolarHBondContact CH2-O 3.5Å; W149-R152 VanDerWaalsContact CZ2-CA 3.49Å; W149-R152 HydrophobicContact CZ2-CB 4.33Å; K150-R152 PolarHBondContact O-N 3.44Å |
| 153 | E | 91.1 | Very high | 89.6 | Confident | 101 Ų | 101 | 58.5 Ų | 58.5 | 47% | 0.472 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 160.6 | 173.6 | -63.4 | -165.3 | 151.1 | 0 | 0 | 112.6 | T109 K150 D151 | T109-E153 HydrophobicContact CG2-CG 4.43Å; K150-E153 PolarHBondContact N-O 2.66Å; K150-E153 CarbonylContact O-C 3.14Å; K150-E153 PolarHBondContact O-N 3.09Å; D151-E153 PolarHBondContact O-N 2.88Å |
| 154 | F | 91.7 | Very high | 89.4 | Confident | 21 Ų | 21 | 57.1 Ų | 57.1 | 9% | 0.092 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 111.9 | 172.1 | -86 | -67.5 | 0 | 0 | 0 | 109.8 | V90 V99 V111 L134 M136 Y147 F148 W149 | V90-F154 HydrophobicContact CG2-CE2 4.13Å; V90-F154 HydrophobicContact CG2-CZ 4.27Å; V99-F154 HydrophobicContact CG2-CD2 3.65Å; V99-F154 HydrophobicContact CG2-CE2 3.54Å; V111-F154 HydrophobicContact CG2-CB 4Å; V111-F154 HydrophobicContact CG2-CD2 3.92Å; V111-F154 HydrophobicContact CG2-CG 4.34Å; L134-F154 HydrophobicContact CD2-CE1 4.17Å; L134-F154 HydrophobicContact CD2-CZ 3.92Å; L134-F154 HydrophobicContact CG-CE1 4.41Å; M136-F154 HydrophobicContact CB-CD1 4.33Å; M136-F154 HydrophobicContact CB-CE1 3.78Å; M136-F154 HydrophobicContact CB-CZ 4.2Å; M136-F154 HydrophobicContact CE-CB 4.44Å; M136-F154 HydrophobicContact CE-CD1 3.91Å; M136-F154 HydrophobicContact CE-CD2 3.69Å; M136-F154 HydrophobicContact CE-CE1 4.02Å; M136-F154 HydrophobicContact CE-CE2 3.81Å; M136-F154 HydrophobicContact CE-CG 3.75Å; M136-F154 HydrophobicContact CE-CZ 3.97Å; M136-F154 HydrophobicContact SD-CE1 4.42Å; M136-F154 HydrophobicContact SD-CE2 4.16Å; M136-F154 HydrophobicContact SD-CZ 4.05Å; Y147-F154 HydrophobicContact CD1-CB 4.3Å; Y147-F154 HydrophobicContact CG-CB 4.33Å; F148-F154 WeakPolarHBondContact O-CA 3.32Å; W149-F154 HydrophobicContact CB-CD1 4.29Å; W149-F154 HydrophobicContact CB-CE1 3.93Å; W149-F154 HydrophobicContact CE3-CD1 4.06Å; W149-F154 AromaticContact CE3-CD2 3.7Å; W149-F154 HydrophobicContact CE3-CD2 3.7Å; W149-F154 HydrophobicContact CE3-CE1 4.02Å; W149-F154 AromaticContact CE3-CE2 3.64Å; W149-F154 HydrophobicContact CE3-CE2 3.64Å; W149-F154 AromaticContact CE3-CG 3.91Å; W149-F154 HydrophobicContact CE3-CG 3.91Å; W149-F154 AromaticContact CE3-CZ 3.81Å; W149-F154 HydrophobicContact CE3-CZ 3.81Å; W149-F154 AromaticContact CZ3-CD2 3.85Å; W149-F154 HydrophobicContact CZ3-CD2 3.85Å; W149-F154 AromaticContact CZ3-CE2 3.89Å; W149-F154 HydrophobicContact CZ3-CE2 3.89Å; W149-F154 HydrophobicContact CZ3-CG 4.41Å; W149-F154 HydrophobicContact CZ3-CZ 4.48Å |
| 155 | H | 90.2 | Very high | 89.4 | Confident | 70 Ų | 70 | 60 Ų | 60 | 32% | 0.324 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 145.8 | 175.8 | -66.1 | -86.6 | 0 | 0 | 0 | 110.3 | Y147 F148 K150 L157 | Y147-H155 CarbonylContact C-O 3.54Å; Y147-H155 WeakPolarHBondContact CA-O 3.3Å; F148-H155 HydrophobicContact CD1-CB 4.08Å; F148-H155 WeakPolarHBondContact CD1-O 3.44Å; F148-H155 HydrophobicContact CE1-CB 3.51Å; F148-H155 HydrophobicContact CE2-CB 3.99Å; F148-H155 HydrophobicContact CZ-CB 3.46Å; F148-H155 VanDerWaalsContact CZ-CB 3.46Å; F148-H155 PolarHBondContact N-O 2.85Å; F148-H155 PolarHBondContact O-N 2.82Å; K150-H155 PolarHBondContact O-CD2 3.29Å; K150-H155 PolarHBondContact O-NE2 2.68Å; H155-L157 PolarHBondContact O-N 2.88Å |
| 156 | E | 89.1 | Confident | 89.3 | Confident | 77 Ų | 77 | 61.5 Ų | 61.5 | 36% | 0.36 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 124.6 | 178.1 | -171.2 | 174.6 | 169.7 | 0 | 0 | 109.8 | K113 L146 Y147 Q158 | K113-E156 IonicContact NZ-OE2 3.58Å; K113-E156 PolarHBondContact NZ-OE2 2.94Å; L146-E156 WeakPolarHBondContact O-CA 3.33Å; Y147-E156 HydrophobicContact CE1-CB 4.46Å; E156-Q158 WeakPolarHBondContact CG-O 3.39Å |
| 157 | L | 83.6 | Confident | 89.4 | Confident | 72 Ų | 72 | 61.5 Ų | 61.5 | 38% | 0.377 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | -45.4 | -179.3 | -175.4 | 70.1 | 0 | 0 | 0 | 111 | L146 F148 H155 V190 | L146-L157 HydrophobicContact CB-CB 4.08Å; L146-L157 HydrophobicContact CB-CD2 4.43Å; L146-L157 PolarHBondContact O-N 2.85Å; F148-L157 HydrophobicContact CB-CD1 4.25Å; F148-L157 HydrophobicContact CD1-CB 4.01Å; F148-L157 HydrophobicContact CD1-CD1 3.76Å; F148-L157 HydrophobicContact CE1-CD1 4.49Å; F148-L157 HydrophobicContact CG-CD1 4.26Å; H155-L157 PolarHBondContact O-N 2.88Å; L157-V190 HydrophobicContact CD2-CG1 4.48Å |
| 158 | Q | 82.3 | Confident | 89.3 | Confident | 40 Ų | 40 | 67.3 Ų | 67.3 | 19% | 0.187 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 171.5 | 179 | 62.9 | -171 | -4.1 | 0 | 0 | 110.3 | L146 E156 F161 | L146-Q158 HydrophobicContact CB-CG 4.35Å; L146-Q158 HydrophobicContact CD1-CG 3.75Å; E156-Q158 WeakPolarHBondContact CG-O 3.39Å; Q158-F161 HydrophobicContact CG-CZ 4.24Å; Q158-F161 VanDerWaalsContact NE2-CE2 3.25Å |
| 159 | G | 80.5 | Confident | 89.4 | Confident | 45 Ų | 45 | 65.5 Ų | 65.5 | 46% | 0.464 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 159.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | F161 | G159-F161 PolarHBondContact O-N 2.86Å |
| 160 | D | 87.8 | Confident | 89.4 | Confident | 57 Ų | 57 | 64.9 Ų | 64.9 | 31% | 0.305 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 130.1 | 179.1 | -65.4 | -13.2 | 0 | 0 | 0 | 112.6 | K143 L144 Q145 | K143-D160 HydrophobicContact CD-CB 4.21Å; K143-D160 WeakPolarHBondContact CD-OD2 3.41Å; K143-D160 IonicContact NZ-OD2 3.77Å; K143-D160 PolarHBondContact NZ-OD2 2.96Å; L144-D160 WeakPolarHBondContact O-CA 3.31Å; Q145-D160 WeakPolarHBondContact CG-OD1 3.49Å; Q145-D160 PolarHBondContact NE2-OD1 3.37Å |
| 161 | F | 89.3 | Confident | 89.6 | Confident | 18 Ų | 18 | 59.6 Ų | 59.6 | 8% | 0.079 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 126.5 | 167.3 | -61.8 | -48.3 | 0 | 0 | 0 | 111 | K143 L144 L146 Q158 G159 I188 | K143-F161 CarbonylContact C-O 3.6Å; K143-F161 VanDerWaalsContact CA-O 3.23Å; K143-F161 WeakPolarHBondContact CA-O 3.36Å; L144-F161 HydrophobicContact CB-CB 4.29Å; L144-F161 PolarHBondContact N-O 3.47Å; L144-F161 PolarHBondContact O-N 3.37Å; L146-F161 HydrophobicContact CD1-CD2 3.96Å; L146-F161 HydrophobicContact CD1-CE2 3.38Å; L146-F161 HydrophobicContact CD1-CZ 4.27Å; L146-F161 HydrophobicContact CG-CE2 4.44Å; Q158-F161 HydrophobicContact CG-CZ 4.24Å; Q158-F161 VanDerWaalsContact NE2-CE2 3.25Å; G159-F161 PolarHBondContact O-N 2.86Å; F161-I188 HydrophobicContact CD2-CG2 4.12Å; F161-I188 HydrophobicContact CE2-CG2 4.47Å; F161-I188 HydrophobicContact CG-CG2 4.45Å |
| 162 | S | 89.4 | Confident | 89.8 | Confident | 87 Ų | 87 | 54.1 Ų | 54.1 | 61% | 0.608 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 130.8 | 174.3 | -63.7 | 0 | 0 | 0 | 0 | 110.2 | I196 | S162-I196 WeakPolarHBondContact O-CD1 3.28Å |
| 163 | V | 91.1 | Very high | 89.9 | Confident | 11 Ų | 11 | 45.1 Ų | 45.1 | 7% | 0.067 | 25% | 0.247 | C | C | . | . | trans | -118.4 | 153.3 | -179.1 | -71.9 | 0 | 0 | 0 | 0 | 111.7 | K142 L144 D165 P167 F181 I188 | K142-V163 VanDerWaalsContact O-CG2 3.29Å; K142-V163 WeakPolarHBondContact O-CG2 3.37Å; K142-V163 PolarHBondContact O-N 3.34Å; L144-V163 HydrophobicContact CD1-CG1 3.76Å; L144-V163 HydrophobicContact CG-CG1 3.8Å; V163-D165 WeakPolarHBondContact CG2-O 3.18Å; V163-D165 PolarHBondContact O-N 3.04Å; V163-P167 HydrophobicContact CG2-CG 4.08Å; V163-F181 HydrophobicContact CB-CE1 4.09Å; V163-F181 HydrophobicContact CB-CZ 3.78Å; V163-F181 HydrophobicContact CG1-CZ 4.21Å; V163-F181 HydrophobicContact CG2-CE1 4.2Å; V163-F181 HydrophobicContact CG2-CZ 4.36Å; V163-I188 HydrophobicContact CG1-CD1 3.46Å; V163-I188 VanDerWaalsContact CG1-CD1 3.46Å | ||
| 164 | P | 88.4 | Confident | 89.8 | Confident | 63 Ų | 63 | 44.9 Ų | 44.9 | 41% | 0.409 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -64.8 | -36.2 | -171.8 | 22.2 | -33.4 | 0 | 0 | 0 | 113.8 | K142 F181 Y186 | K142-P164 PolarHBondContact NZ-O 3.24Å; P164-F181 HydrophobicContact CG-CD2 4.23Å; P164-F181 HydrophobicContact CG-CE2 3.77Å; P164-F181 HydrophobicContact CG-CZ 4Å; P164-Y186 HydrophobicContact CG-CD2 4.18Å; P164-Y186 HydrophobicContact CG-CE1 4.49Å; P164-Y186 HydrophobicContact CG-CE2 3.79Å |
| 165 | D | 91.8 | Very high | 89.6 | Confident | 62 Ų | 62 | 47.2 Ų | 47.2 | 33% | 0.332 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -139 | -176.8 | 178.9 | -157.9 | 8.2 | 0 | 0 | 0 | 111.9 | K142 V163 P167 F181 | K142-D165 IonicContact NZ-OD1 2.68Å; V163-D165 WeakPolarHBondContact CG2-O 3.18Å; V163-D165 PolarHBondContact O-N 3.04Å; D165-P167 VanDerWaalsContact O-CD 3.3Å; D165-P167 WeakPolarHBondContact O-CD 3.46Å; D165-F181 HydrophobicContact CB-CB 4.27Å; D165-F181 HydrophobicContact CB-CD1 3.75Å; D165-F181 HydrophobicContact CB-CE1 4.45Å; D165-F181 HydrophobicContact CB-CG 4.14Å; D165-F181 WeakPolarHBondContact O-CD1 3.27Å; D165-F181 WeakPolarHBondContact O-CE1 3.35Å |
| 166 | V | 91.6 | Very high | 89.7 | Confident | 49 Ų | 49 | 43.9 Ų | 43.9 | 30% | 0.297 | 24% | 0.243 | S | C | . | . | trans | -75.5 | 117.6 | 176.1 | -177.5 | 0 | 0 | 0 | 0 | 109.5 | K141 K142 | K141-V166 WeakPolarHBondContact O-CA 3.44Å; K142-V166 HydrophobicContact CG-CG2 4.28Å | ||
| 167 | P | 93.8 | Very high | 89.9 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.013 | 23% | 0.226 | C | C | . | . | trans | -54.5 | 141.9 | 175.8 | -28.5 | 38.5 | 0 | 0 | 0 | 112.2 | L119 A139 K141 L144 V163 D165 V179 F181 | L119-P167 VanDerWaalsContact CD2-C 3.48Å; L119-P167 HydrophobicContact CD2-CB 3.7Å; L119-P167 WeakPolarHBondContact CD2-O 3.12Å; A139-P167 HydrophobicContact CB-CB 3.74Å; A139-P167 HydrophobicContact CB-CG 3.73Å; K141-P167 WeakPolarHBondContact O-CD 3.38Å; L144-P167 HydrophobicContact CD2-CG 3.78Å; V163-P167 HydrophobicContact CG2-CG 4.08Å; D165-P167 VanDerWaalsContact O-CD 3.3Å; D165-P167 WeakPolarHBondContact O-CD 3.46Å; P167-V179 HydrophobicContact CB-CG1 3.72Å; P167-V179 HydrophobicContact CG-CG1 3.95Å; P167-F181 HydrophobicContact CB-CE1 4.33Å; P167-F181 HydrophobicContact CG-CE1 3.81Å | ||
| 168 | K | 92.5 | Very high | 90.4 | Very high | 127 Ų | 127 | 36.8 Ų | 36.8 | 55% | 0.552 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -119.6 | -30.2 | 177.9 | -70.9 | -66.8 | -175 | 177.6 | 0 | 112.9 | G180 P208 | K168-G180 PolarHBondContact N-O 2.86Å; K168-P208 HydrophobicContact CB-CG 3.48Å; K168-P208 VanDerWaalsContact CB-CG 3.48Å |
| 169 | S | 93.1 | Very high | 91 | Very high | 14 Ų | 14 | 34.9 Ų | 34.9 | 10% | 0.098 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 152 | 169.2 | 61.1 | 0 | 0 | 0 | 0 | 109.5 | G180 P208 V210 | S169-G180 PolarHBondContact N-O 2.89Å; S169-G180 PolarHBondContact O-N 2.91Å; S169-P208 WeakPolarHBondContact CB-O 3.02Å; S169-P208 WeakPolarHBondContact OG-CB 3.49Å; S169-P208 WeakPolarHBondContact OG-CG 3.48Å; S169-P208 PolarHBondContact OG-O 2.7Å; S169-P208 VanDerWaalsContact OG-O 3.12Å; S169-V210 WeakPolarHBondContact OG-CG2 3.2Å |
| 170 | M | 94.4 | Very high | 91.6 | Very high | 15 Ų | 15 | 32.7 Ų | 32.7 | 7% | 0.074 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 145 | 175 | 68.7 | -158.7 | -68.3 | 0 | 0 | 110.9 | L119 T121 C137 A139 L144 I177 C178 V179 | L119-M170 HydrophobicContact CD1-CB 4Å; L119-M170 HydrophobicContact CD1-CG 3.28Å; L119-M170 HydrophobicContact CD1-SD 3.22Å; L119-M170 WeakPolarHBondContact CD1-SD 3.49Å; L119-M170 HydrophobicContact CD2-SD 4.43Å; L119-M170 HydrophobicContact CG-CG 4.25Å; L119-M170 HydrophobicContact CG-SD 3.49Å; L119-M170 WeakPolarHBondContact CG-SD 3.22Å; T121-M170 HydrophobicContact CG2-CB 4.47Å; T121-M170 HydrophobicContact CG2-CE 3.78Å; T121-M170 HydrophobicContact CG2-CG 3.61Å; T121-M170 HydrophobicContact CG2-SD 4.17Å; C137-M170 HydrophobicContact CB-CE 3.52Å; C137-M170 WeakPolarHBondContact SG-CE 3.21Å; A139-M170 HydrophobicContact CB-SD 4.35Å; L144-M170 HydrophobicContact CD2-CE 4.15Å; M170-I177 HydrophobicContact CB-CG2 4.37Å; M170-I177 HydrophobicContact CE-CG2 4.35Å; M170-C178 WeakPolarHBondContact CA-O 3.41Å; M170-V179 HydrophobicContact CB-CG2 4.46Å |
| 171 | A | 93.8 | Very high | 91.8 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 2% | 0.017 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 153.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | C178 V210 P212 V218 | A171-C178 PolarHBondContact N-O 3.37Å; A171-C178 PolarHBondContact O-N 2.84Å; A171-V210 HydrophobicContact CB-CB 4.4Å; A171-V210 HydrophobicContact CB-CG1 3.55Å; A171-P212 HydrophobicContact CB-CB 4.42Å; A171-V218 HydrophobicContact CB-CG1 4.19Å |
| 172 | W | 92.6 | Very high | 91.8 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 5% | 0.053 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 141.9 | 172.9 | -70.2 | 97.1 | 0 | 0 | 0 | 111 | T121 D123 R135 C137 L146 I177 V190 V218 | T121-W172 HydrophobicContact CG2-CG 4.31Å; T121-W172 PolarHBondContact O-NE1 3.19Å; D123-W172 HydrophobicContact CB-CB 3.89Å; D123-W172 HydrophobicContact CB-CD2 3.83Å; D123-W172 HydrophobicContact CB-CG 3.45Å; D123-W172 VanDerWaalsContact CB-CG 3.45Å; R135-W172 HydrophobicContact CB-CH2 4.22Å; R135-W172 HydrophobicContact CB-CZ2 4.05Å; C137-W172 HydrophobicContact CB-CH2 4.47Å; C137-W172 HydrophobicContact CB-CZ2 3.66Å; L146-W172 HydrophobicContact CD2-CH2 3.74Å; L146-W172 HydrophobicContact CD2-CZ2 4Å; W172-I177 HydrophobicContact CD2-CD1 4.47Å; W172-I177 HydrophobicContact CD2-CG1 3.9Å; W172-I177 HydrophobicContact CE3-CD1 4.13Å; W172-I177 HydrophobicContact CE3-CG1 3.53Å; W172-I177 HydrophobicContact CH2-CD1 3.76Å; W172-I177 HydrophobicContact CH2-CG1 4.11Å; W172-I177 HydrophobicContact CZ2-CD1 4.1Å; W172-I177 HydrophobicContact CZ2-CG1 4.42Å; W172-I177 HydrophobicContact CZ3-CD1 3.78Å; W172-I177 HydrophobicContact CZ3-CG1 3.66Å; W172-V190 HydrophobicContact CH2-CG2 4.42Å; W172-V190 HydrophobicContact CZ3-CG2 3.86Å; W172-V218 WeakPolarHBondContact O-CG1 3.2Å |
| 173 | C | 90.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 81.4 | 174.6 | -170.8 | 0 | 0 | 0 | 0 | 106.3 | N175 S176 G216 V218 | C173-N175 PolarHBondContact O-N 2.57Å; C173-S176 CarbonylContact C-O 2.94Å; C173-S176 WeakPolarHBondContact CA-O 3.47Å; C173-S176 PolarHBondContact N-O 3.33Å; C173-S176 WeakPolarHBondContact O-CA 3.29Å; C173-S176 PolarHBondContact O-N 2.83Å; C173-G216 PolarHBondContact SG-O 2.92Å; C173-V218 HydrophobicContact CB-CB 4.49Å; C173-V218 HydrophobicContact CB-CG1 3.62Å; C173-V218 HydrophobicContact CB-CG2 4.12Å |
| 174 | E | 87.4 | Confident | 91.8 | Very high | 96 Ų | 96 | 41 Ų | 41 | 45% | 0.449 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | -105.6 | -170.9 | -61.5 | -175.7 | 170.3 | 0 | 0 | 113.4 | R135 E231 | R135-E174 PolarHBondContact NH2-O 2.96Å; E174-E231 HydrophobicContact CB-CG 4.3Å |
| 175 | N | 88.4 | Confident | 92 | Very high | 70 Ų | 70 | 38 Ų | 38 | 37% | 0.374 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 13.6 | 178.3 | -68.9 | -24.8 | 0 | 0 | 0 | 113.5 | R135 C173 V190 E231 | R135-N175 PolarHBondContact NH1-OD1 2.88Å; C173-N175 PolarHBondContact O-N 2.57Å; N175-V190 VanDerWaalsContact O-CB 3.25Å; N175-V190 WeakPolarHBondContact O-CB 3.39Å; N175-V190 WeakPolarHBondContact O-CG2 3.4Å; N175-V190 PolarHBondContact O-N 2.93Å; N175-E231 WeakPolarHBondContact CB-OE1 3.42Å |
| 176 | S | 91.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 156.8 | 173.2 | -66.2 | 0 | 0 | 0 | 0 | 111.4 | C173 I188 R189 E231 | C173-S176 CarbonylContact C-O 2.94Å; C173-S176 WeakPolarHBondContact CA-O 3.47Å; C173-S176 PolarHBondContact N-O 3.33Å; C173-S176 WeakPolarHBondContact O-CA 3.29Å; C173-S176 PolarHBondContact O-N 2.83Å; S176-I188 CarbonylContact C-O 3.49Å; S176-I188 WeakPolarHBondContact CA-O 3.49Å; S176-R189 WeakPolarHBondContact OG-CG 3.29Å; S176-E231 WeakPolarHBondContact OG-CG 3.48Å; S176-E231 PolarHBondContact OG-O 3.33Å |
| 177 | I | 92.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 118.7 | 175.6 | -59 | 160.5 | 0 | 0 | 0 | 107.3 | C137 L146 M170 W172 V179 I188 V190 | C137-I177 HydrophobicContact CB-CD1 3.87Å; L146-I177 HydrophobicContact CD2-CD1 3.65Å; M170-I177 HydrophobicContact CB-CG2 4.37Å; M170-I177 HydrophobicContact CE-CG2 4.35Å; W172-I177 HydrophobicContact CD2-CD1 4.47Å; W172-I177 HydrophobicContact CD2-CG1 3.9Å; W172-I177 HydrophobicContact CE3-CD1 4.13Å; W172-I177 HydrophobicContact CE3-CG1 3.53Å; W172-I177 HydrophobicContact CH2-CD1 3.76Å; W172-I177 HydrophobicContact CH2-CG1 4.11Å; W172-I177 HydrophobicContact CZ2-CD1 4.1Å; W172-I177 HydrophobicContact CZ2-CG1 4.42Å; W172-I177 HydrophobicContact CZ3-CD1 3.78Å; W172-I177 HydrophobicContact CZ3-CG1 3.66Å; I177-V179 HydrophobicContact CG2-CG2 3.78Å; I177-I188 PolarHBondContact N-O 2.98Å; I177-I188 PolarHBondContact O-N 3.31Å; I177-V190 HydrophobicContact CD1-CG2 3.8Å; I177-V190 HydrophobicContact CG1-CG2 4.07Å |
| 178 | C | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 126.3 | 172.8 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | M170 A171 L187 V210 V218 | M170-C178 WeakPolarHBondContact CA-O 3.41Å; A171-C178 PolarHBondContact N-O 3.37Å; A171-C178 PolarHBondContact O-N 2.84Å; C178-L187 HydrophobicContact CB-CD1 3.91Å; C178-V210 HydrophobicContact CB-CG1 3.94Å; C178-V218 HydrophobicContact CB-CG2 3.85Å |
| 179 | V | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 124.9 | -173.8 | -174.9 | 0 | 0 | 0 | 0 | 109.4 | L144 P167 M170 I177 F181 Y185 Y186 I188 | L144-V179 HydrophobicContact CD1-CG2 3.94Å; P167-V179 HydrophobicContact CB-CG1 3.72Å; P167-V179 HydrophobicContact CG-CG1 3.95Å; M170-V179 HydrophobicContact CB-CG2 4.46Å; I177-V179 HydrophobicContact CG2-CG2 3.78Å; V179-F181 HydrophobicContact CB-CE2 4.42Å; V179-F181 HydrophobicContact CB-CZ 4.29Å; V179-F181 HydrophobicContact CG1-CE1 3.88Å; V179-F181 HydrophobicContact CG1-CE2 4.03Å; V179-F181 HydrophobicContact CG1-CZ 3.57Å; V179-Y185 WeakPolarHBondContact O-CA 3.33Å; V179-Y186 PolarHBondContact N-O 3.25Å; V179-Y186 PolarHBondContact O-N 2.78Å; V179-I188 HydrophobicContact CG2-CD1 3.95Å |
| 180 | G | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 127.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K168 S169 P208 | K168-G180 PolarHBondContact N-O 2.86Å; S169-G180 PolarHBondContact N-O 2.89Å; S169-G180 PolarHBondContact O-N 2.91Å; G180-P208 WeakPolarHBondContact O-CG 3.47Å |
| 181 | F | 92.6 | Very high | 90.8 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | trans | -100.6 | -172.2 | 167.6 | -57.6 | -72.9 | 0 | 0 | 0 | 110.8 | V163 P164 D165 P167 V179 R183 D184 Y186 T202 P208 | V163-F181 HydrophobicContact CB-CE1 4.09Å; V163-F181 HydrophobicContact CB-CZ 3.78Å; V163-F181 HydrophobicContact CG1-CZ 4.21Å; V163-F181 HydrophobicContact CG2-CE1 4.2Å; V163-F181 HydrophobicContact CG2-CZ 4.36Å; P164-F181 HydrophobicContact CG-CD2 4.23Å; P164-F181 HydrophobicContact CG-CE2 3.77Å; P164-F181 HydrophobicContact CG-CZ 4Å; D165-F181 HydrophobicContact CB-CB 4.27Å; D165-F181 HydrophobicContact CB-CD1 3.75Å; D165-F181 HydrophobicContact CB-CE1 4.45Å; D165-F181 HydrophobicContact CB-CG 4.14Å; D165-F181 WeakPolarHBondContact O-CD1 3.27Å; D165-F181 WeakPolarHBondContact O-CE1 3.35Å; P167-F181 HydrophobicContact CB-CE1 4.33Å; P167-F181 HydrophobicContact CG-CE1 3.81Å; V179-F181 HydrophobicContact CB-CE2 4.42Å; V179-F181 HydrophobicContact CB-CZ 4.29Å; V179-F181 HydrophobicContact CG1-CE1 3.88Å; V179-F181 HydrophobicContact CG1-CE2 4.03Å; V179-F181 HydrophobicContact CG1-CZ 3.57Å; F181-R183 VanDerWaalsContact C-N 3.27Å; F181-R183 PolarHBondContact O-N 2.83Å; F181-D184 WeakPolarHBondContact CB-O 3.4Å; F181-D184 WeakPolarHBondContact CD2-O 3.4Å; F181-D184 PolarHBondContact N-O 3.23Å; F181-Y186 AromaticContact CD2-CD2 3.44Å; F181-Y186 HydrophobicContact CD2-CD2 3.44Å; F181-Y186 VanDerWaalsContact CD2-CD2 3.44Å; F181-Y186 AromaticContact CD2-CE2 3.92Å; F181-Y186 HydrophobicContact CD2-CE2 3.92Å; F181-Y186 HydrophobicContact CD2-CG 4.45Å; F181-Y186 AromaticContact CE2-CD2 3.32Å; F181-Y186 HydrophobicContact CE2-CD2 3.32Å; F181-Y186 HydrophobicContact CE2-CE2 4.05Å; F181-Y186 AromaticContact CE2-CG 3.93Å; F181-Y186 HydrophobicContact CE2-CG 3.93Å; F181-T202 WeakPolarHBondContact O-CG2 3.33Å; F181-P208 WeakPolarHBondContact O-CD 3.23Å; F181-P208 VanDerWaalsContact O-CG 3.22Å; F181-P208 WeakPolarHBondContact O-CG 3.48Å | ||
| 182 | K | 89.4 | Confident | 89.7 | Confident | 105 Ų | 105 | 38.6 Ų | 38.6 | 46% | 0.457 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -68.7 | -25.8 | 178.3 | -174.8 | 176.2 | 179.9 | -178.3 | 0 | 113.6 | T202 L206 | K182-T202 PolarHBondContact O-OG1 3.02Å; K182-L206 HydrophobicContact CG-CD2 4.46Å |
| 183 | R | 87.5 | Confident | 88.7 | Confident | 190 Ų | 190 | 46.9 Ų | 46.9 | 72% | 0.717 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -119.2 | -33.5 | -173 | -69.7 | -175.8 | 175.9 | 178.7 | -1.1 | 113.5 | F181 P201 T202 | F181-R183 VanDerWaalsContact C-N 3.27Å; F181-R183 PolarHBondContact O-N 2.83Å; R183-P201 CarbonylContact O-C 3.59Å; R183-P201 WeakPolarHBondContact O-CA 3.33Å; R183-P201 WeakPolarHBondContact O-CB 3.32Å; R183-T202 VanDerWaalsContact C-OG1 3.23Å; R183-T202 WeakPolarHBondContact CA-OG1 3.36Å; R183-T202 PolarHBondContact O-N 2.96Å; R183-T202 PolarHBondContact O-OG1 3.14Å |
| 184 | D | 91.4 | Very high | 87.9 | Confident | 47 Ų | 47 | 47.3 Ų | 47.3 | 25% | 0.251 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 154.3 | -167.1 | -46.4 | -61 | 0 | 0 | 0 | 111.4 | F181 Y186 | F181-D184 WeakPolarHBondContact CB-O 3.4Å; F181-D184 WeakPolarHBondContact CD2-O 3.4Å; F181-D184 PolarHBondContact N-O 3.23Å; D184-Y186 HydrophobicContact CB-CD2 4.42Å; D184-Y186 HydrophobicContact CB-CE2 3.84Å |
| 185 | Y | 93.8 | Very high | 87.8 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 143.1 | 170.6 | -70.5 | -75.6 | 0 | 0 | 0 | 111.1 | V179 L199 F200 T202 P208 L209 V210 V220 G221 | V179-Y185 WeakPolarHBondContact O-CA 3.33Å; Y185-L199 WeakPolarHBondContact O-CB 3.29Å; Y185-L199 PolarHBondContact O-N 3.39Å; Y185-F200 AromaticContact CD2-CD2 3.87Å; Y185-F200 HydrophobicContact CD2-CD2 3.87Å; Y185-F200 AromaticContact CD2-CE2 3.61Å; Y185-F200 HydrophobicContact CD2-CE2 3.61Å; Y185-F200 HydrophobicContact CD2-CZ 4.37Å; Y185-F200 WeakPolarHBondContact CD2-O 3.37Å; Y185-F200 HydrophobicContact CE2-CD2 4.44Å; Y185-F200 AromaticContact CE2-CE2 3.95Å; Y185-F200 HydrophobicContact CE2-CE2 3.95Å; Y185-F200 PolarHBondContact N-O 2.9Å; Y185-T202 HydrophobicContact CD1-CG2 4.39Å; Y185-T202 HydrophobicContact CD2-CG2 3.7Å; Y185-T202 HydrophobicContact CE1-CG2 4.17Å; Y185-T202 HydrophobicContact CE2-CG2 3.49Å; Y185-T202 VanDerWaalsContact CE2-CG2 3.49Å; Y185-T202 HydrophobicContact CG-CG2 4.15Å; Y185-P208 HydrophobicContact CE1-CB 3.51Å; Y185-P208 WeakPolarHBondContact OH-CA 3.06Å; Y185-P208 WeakPolarHBondContact OH-CB 3.34Å; Y185-L209 PolarHBondContact OH-N 2.9Å; Y185-L209 PolarHBondContact OH-O 3.27Å; Y185-V210 HydrophobicContact CD1-CG2 4.05Å; Y185-V210 HydrophobicContact CE1-CG2 3.63Å; Y185-V220 HydrophobicContact CD1-CG1 3.63Å; Y185-V220 HydrophobicContact CD2-CG1 3.56Å; Y185-V220 HydrophobicContact CE1-CG1 3.54Å; Y185-V220 HydrophobicContact CE2-CG1 3.42Å; Y185-V220 VanDerWaalsContact CE2-CG1 3.42Å; Y185-V220 HydrophobicContact CG-CG1 3.66Å; Y185-V220 VanDerWaalsContact CZ-CG1 3.43Å; Y185-G221 WeakPolarHBondContact CE2-O 3.5Å; Y185-G221 VanDerWaalsContact CZ-O 3.23Å; Y185-G221 PolarHBondContact OH-O 3.44Å |
| 186 | Y | 93.4 | Very high | 87.8 | Confident | 31 Ų | 31 | 45.4 Ų | 45.4 | 12% | 0.122 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 150.2 | 173.2 | -70.8 | -100.6 | 0 | 0 | 0 | 110.6 | P164 V179 F181 D184 I196 K197 E198 | P164-Y186 HydrophobicContact CG-CD2 4.18Å; P164-Y186 HydrophobicContact CG-CE1 4.49Å; P164-Y186 HydrophobicContact CG-CE2 3.79Å; V179-Y186 PolarHBondContact N-O 3.25Å; V179-Y186 PolarHBondContact O-N 2.78Å; F181-Y186 AromaticContact CD2-CD2 3.44Å; F181-Y186 HydrophobicContact CD2-CD2 3.44Å; F181-Y186 VanDerWaalsContact CD2-CD2 3.44Å; F181-Y186 AromaticContact CD2-CE2 3.92Å; F181-Y186 HydrophobicContact CD2-CE2 3.92Å; F181-Y186 HydrophobicContact CD2-CG 4.45Å; F181-Y186 AromaticContact CE2-CD2 3.32Å; F181-Y186 HydrophobicContact CE2-CD2 3.32Å; F181-Y186 HydrophobicContact CE2-CE2 4.05Å; F181-Y186 AromaticContact CE2-CG 3.93Å; F181-Y186 HydrophobicContact CE2-CG 3.93Å; D184-Y186 HydrophobicContact CB-CD2 4.42Å; D184-Y186 HydrophobicContact CB-CE2 3.84Å; Y186-I196 HydrophobicContact CD1-CG2 3.46Å; Y186-I196 VanDerWaalsContact CD1-CG2 3.46Å; Y186-I196 HydrophobicContact CE1-CG2 4.2Å; Y186-I196 HydrophobicContact CG-CG2 4.19Å; Y186-K197 CarbonylContact C-O 3.46Å; Y186-K197 VanDerWaalsContact CA-O 3.29Å; Y186-K197 WeakPolarHBondContact CA-O 3.5Å; Y186-E198 VanDerWaalsContact CD1-CA 3.46Å; Y186-E198 HydrophobicContact CD1-CB 3.88Å; Y186-E198 HydrophobicContact CD1-CG 4.22Å; Y186-E198 HydrophobicContact CE1-CB 3.47Å; Y186-E198 VanDerWaalsContact CE1-CB 3.47Å; Y186-E198 HydrophobicContact CE1-CG 3.6Å; Y186-E198 HydrophobicContact CE2-CG 4.34Å; Y186-E198 PolarHBondContact OH-OE2 2.88Å |
| 187 | L | 93.2 | Very high | 87.8 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 127.5 | 169 | -168.3 | 70.7 | 0 | 0 | 0 | 108.7 | C178 K197 L199 E231 G233 | C178-L187 HydrophobicContact CB-CD1 3.91Å; L187-K197 HydrophobicContact CB-CB 4.42Å; L187-K197 PolarHBondContact N-O 3.23Å; L187-K197 PolarHBondContact O-N 3.25Å; L187-L199 HydrophobicContact CB-CD1 4.16Å; L187-L199 HydrophobicContact CB-CD2 4.31Å; L187-L199 HydrophobicContact CB-CG 4.34Å; L187-E231 WeakPolarHBondContact CD2-O 3.24Å; L187-G233 VanDerWaalsContact CD2-CA 3.5Å |
| 188 | I | 92.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 117.8 | -176.9 | -59.4 | 168.5 | 0 | 0 | 0 | 108.3 | L144 F161 V163 S176 I177 V179 S195 I196 | L144-I188 HydrophobicContact CD1-CD1 3.39Å; F161-I188 HydrophobicContact CD2-CG2 4.12Å; F161-I188 HydrophobicContact CE2-CG2 4.47Å; F161-I188 HydrophobicContact CG-CG2 4.45Å; V163-I188 HydrophobicContact CG1-CD1 3.46Å; V163-I188 VanDerWaalsContact CG1-CD1 3.46Å; S176-I188 CarbonylContact C-O 3.49Å; S176-I188 WeakPolarHBondContact CA-O 3.49Å; I177-I188 PolarHBondContact N-O 2.98Å; I177-I188 PolarHBondContact O-N 3.31Å; V179-I188 HydrophobicContact CG2-CD1 3.95Å; I188-S195 WeakPolarHBondContact CA-O 3.24Å; I188-I196 HydrophobicContact CG1-CG1 4.32Å; I188-I196 HydrophobicContact CG1-CG2 4.24Å |
| 189 | R | 89.4 | Confident | 87.5 | Confident | 82 Ų | 82 | 57 Ų | 57 | 31% | 0.309 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 140.6 | 179.8 | -60.3 | -164.7 | 151.1 | -173.6 | -15.2 | 111.6 | S176 D191 G194 S195 E231 E232 | S176-R189 WeakPolarHBondContact OG-CG 3.29Å; R189-D191 VanDerWaalsContact C-N 3.25Å; R189-D191 HydrophobicContact CB-CB 4.38Å; R189-D191 PolarHBondContact O-N 2.89Å; R189-G194 WeakPolarHBondContact O-CA 3.45Å; R189-S195 WeakPolarHBondContact CB-OG 3.27Å; R189-S195 PolarHBondContact N-O 2.91Å; R189-E231 PolarHBondContact NE-O 3.04Å; R189-E231 PolarHBondContact NH2-O 3.37Å; R189-E231 VanDerWaalsContact NH2-O 3.16Å; R189-E232 VanDerWaalsContact NH2-CA 3.35Å; R189-E232 IonicContact NH2-OE1 3.31Å |
| 190 | V | 86.2 | Confident | 87.2 | Confident | 27 Ų | 27 | 58.7 Ų | 58.7 | 16% | 0.164 | 29% | 0.286 | C | S | . | . | trans | -94.5 | 54.4 | 178.6 | -172.1 | 0 | 0 | 0 | 0 | 108.6 | L146 L157 W172 N175 I177 | L146-V190 HydrophobicContact CD1-CG1 3.9Å; L146-V190 HydrophobicContact CD1-CG2 4.34Å; L157-V190 HydrophobicContact CD2-CG1 4.48Å; W172-V190 HydrophobicContact CH2-CG2 4.42Å; W172-V190 HydrophobicContact CZ3-CG2 3.86Å; N175-V190 VanDerWaalsContact O-CB 3.25Å; N175-V190 WeakPolarHBondContact O-CB 3.39Å; N175-V190 WeakPolarHBondContact O-CG2 3.4Å; N175-V190 PolarHBondContact O-N 2.93Å; I177-V190 HydrophobicContact CD1-CG2 3.8Å; I177-V190 HydrophobicContact CG1-CG2 4.07Å | ||
| 191 | D | 77.6 | Confident | 87 | Confident | 86 Ų | 86 | 62.1 Ų | 62.1 | 46% | 0.46 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -102.6 | 14.6 | -174.3 | 64.5 | 0.2 | 0 | 0 | 0 | 113.7 | R189 K193 G194 S195 | R189-D191 VanDerWaalsContact C-N 3.25Å; R189-D191 HydrophobicContact CB-CB 4.38Å; R189-D191 PolarHBondContact O-N 2.89Å; D191-K193 PolarHBondContact O-N 2.82Å; D191-K193 PolarHBondContact OD1-N 2.87Å; D191-G194 PolarHBondContact OD1-N 2.88Å; D191-S195 PolarHBondContact OD2-OG 2.85Å |
| 192 | G | 70.9 | Confident | 86.5 | Confident | 54 Ų | 54 | 62 Ų | 62 | 56% | 0.557 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 82.5 | -22.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 193 | K | 70.1 | Confident | 86.1 | Confident | 189 Ų | 189 | 58.8 Ų | 58.8 | 82% | 0.822 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -100.2 | -20.5 | 175.5 | -70 | -177.8 | -178.4 | 175.7 | 0 | 113 | D191 | D191-K193 PolarHBondContact O-N 2.82Å; D191-K193 PolarHBondContact OD1-N 2.87Å |
| 194 | G | 74.1 | Confident | 85.5 | Confident | 9 Ų | 9 | 58.6 Ų | 58.6 | 9% | 0.093 | 31% | 0.309 | C | S | . | . | trans | 73.1 | 43.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R189 D191 I196 | R189-G194 WeakPolarHBondContact O-CA 3.45Å; D191-G194 PolarHBondContact OD1-N 2.88Å; G194-I196 VanDerWaalsContact O-CG1 3.27Å; G194-I196 WeakPolarHBondContact O-CG1 3.43Å; G194-I196 PolarHBondContact O-N 3.18Å | ||
| 195 | S | 85.3 | Confident | 84.5 | Confident | 49 Ų | 49 | 59 Ų | 59 | 34% | 0.343 | 31% | 0.309 | S | S | . | . | trans | -59 | 123.2 | -178.6 | 54.4 | 0 | 0 | 0 | 0 | 110.6 | I188 R189 D191 | I188-S195 WeakPolarHBondContact CA-O 3.24Å; R189-S195 WeakPolarHBondContact CB-OG 3.27Å; R189-S195 PolarHBondContact N-O 2.91Å; D191-S195 PolarHBondContact OD2-OG 2.85Å | ||
| 196 | I | 89.3 | Confident | 83.3 | Confident | 77 Ų | 77 | 64.3 Ų | 64.3 | 40% | 0.395 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 123.6 | -176.4 | -50.5 | -176 | 0 | 0 | 0 | 108.3 | S162 Y186 I188 G194 | S162-I196 WeakPolarHBondContact O-CD1 3.28Å; Y186-I196 HydrophobicContact CD1-CG2 3.46Å; Y186-I196 VanDerWaalsContact CD1-CG2 3.46Å; Y186-I196 HydrophobicContact CE1-CG2 4.2Å; Y186-I196 HydrophobicContact CG-CG2 4.19Å; I188-I196 HydrophobicContact CG1-CG1 4.32Å; I188-I196 HydrophobicContact CG1-CG2 4.24Å; G194-I196 VanDerWaalsContact O-CG1 3.27Å; G194-I196 WeakPolarHBondContact O-CG1 3.43Å; G194-I196 PolarHBondContact O-N 3.18Å |
| 197 | K | 90.8 | Very high | 82.9 | Confident | 88 Ų | 88 | 70 Ų | 70 | 38% | 0.383 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 122.2 | 173.1 | -173.3 | -172.1 | -176.9 | -168.3 | 0 | 109.6 | Y186 L187 L199 E232 G233 | Y186-K197 CarbonylContact C-O 3.46Å; Y186-K197 VanDerWaalsContact CA-O 3.29Å; Y186-K197 WeakPolarHBondContact CA-O 3.5Å; L187-K197 HydrophobicContact CB-CB 4.42Å; L187-K197 PolarHBondContact N-O 3.23Å; L187-K197 PolarHBondContact O-N 3.25Å; K197-L199 HydrophobicContact CD-CD2 4.42Å; K197-E232 WeakPolarHBondContact CD-O 3.44Å; K197-E232 PolarHBondContact NZ-O 2.94Å; K197-G233 PolarHBondContact NZ-O 2.96Å |
| 198 | E | 92 | Very high | 82.7 | Confident | 120 Ų | 120 | 70.5 Ų | 70.5 | 56% | 0.561 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 135.1 | 169.5 | -166.7 | 168.4 | 144.8 | 0 | 0 | 110.1 | Y186 | Y186-E198 VanDerWaalsContact CD1-CA 3.46Å; Y186-E198 HydrophobicContact CD1-CB 3.88Å; Y186-E198 HydrophobicContact CD1-CG 4.22Å; Y186-E198 HydrophobicContact CE1-CB 3.47Å; Y186-E198 VanDerWaalsContact CE1-CB 3.47Å; Y186-E198 HydrophobicContact CE1-CG 3.6Å; Y186-E198 HydrophobicContact CE2-CG 4.34Å; Y186-E198 PolarHBondContact OH-OE2 2.88Å |
| 199 | L | 89.3 | Confident | 82.7 | Confident | 35 Ų | 35 | 71.6 Ų | 71.6 | 18% | 0.183 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -98.4 | 179.6 | -61 | 171.2 | 0 | 0 | 0 | 109.7 | Y185 L187 K197 L229 | Y185-L199 WeakPolarHBondContact O-CB 3.29Å; Y185-L199 PolarHBondContact O-N 3.39Å; L187-L199 HydrophobicContact CB-CD1 4.16Å; L187-L199 HydrophobicContact CB-CD2 4.31Å; L187-L199 HydrophobicContact CB-CG 4.34Å; K197-L199 HydrophobicContact CD-CD2 4.42Å; L199-L229 HydrophobicContact CD1-CD1 3.49Å; L199-L229 VanDerWaalsContact CD1-CD1 3.49Å; L199-L229 HydrophobicContact CD2-CD1 4.25Å; L199-L229 HydrophobicContact CG-CD1 4.42Å |
| 200 | F | 88.9 | Confident | 82.9 | Confident | 36 Ų | 36 | 68.4 Ų | 68.4 | 16% | 0.158 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 163 | -177.4 | 50.3 | -96.5 | 0 | 0 | 0 | 111.3 | Y185 V220 Q222 V227 L229 | Y185-F200 AromaticContact CD2-CD2 3.87Å; Y185-F200 HydrophobicContact CD2-CD2 3.87Å; Y185-F200 AromaticContact CD2-CE2 3.61Å; Y185-F200 HydrophobicContact CD2-CE2 3.61Å; Y185-F200 HydrophobicContact CD2-CZ 4.37Å; Y185-F200 WeakPolarHBondContact CD2-O 3.37Å; Y185-F200 HydrophobicContact CE2-CD2 4.44Å; Y185-F200 AromaticContact CE2-CE2 3.95Å; Y185-F200 HydrophobicContact CE2-CE2 3.95Å; Y185-F200 PolarHBondContact N-O 2.9Å; F200-V220 HydrophobicContact CE2-CG1 3.83Å; F200-V220 HydrophobicContact CZ-CB 3.96Å; F200-V220 HydrophobicContact CZ-CG1 3.6Å; F200-Q222 HydrophobicContact CD2-CB 4.42Å; F200-Q222 HydrophobicContact CD2-CG 4.4Å; F200-Q222 HydrophobicContact CE2-CB 4.04Å; F200-V227 HydrophobicContact CE1-CB 4.48Å; F200-V227 HydrophobicContact CE1-CG1 4.48Å; F200-V227 HydrophobicContact CZ-CB 4.14Å; F200-V227 HydrophobicContact CZ-CG2 4.34Å; F200-L229 HydrophobicContact CE1-CD1 4.22Å; F200-L229 HydrophobicContact CE1-CD2 4.37Å |
| 201 | P | 88.4 | Confident | 83.2 | Confident | 71 Ų | 71 | 67.3 Ų | 67.3 | 46% | 0.461 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 150.2 | 178.8 | -23.7 | 35.3 | 0 | 0 | 0 | 113.9 | R183 G203 Q222 | R183-P201 CarbonylContact O-C 3.59Å; R183-P201 WeakPolarHBondContact O-CA 3.33Å; R183-P201 WeakPolarHBondContact O-CB 3.32Å; P201-G203 PolarHBondContact O-N 2.96Å; P201-Q222 PolarHBondContact O-NE2 3Å |
| 202 | T | 82.6 | Confident | 83.8 | Confident | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.018 | 36% | 0.36 | C | S | . | . | trans | -75.9 | -4.3 | -177.2 | 54.4 | 0 | 0 | 0 | 0 | 114.7 | F181 K182 R183 Y185 P208 | F181-T202 WeakPolarHBondContact O-CG2 3.33Å; K182-T202 PolarHBondContact O-OG1 3.02Å; R183-T202 VanDerWaalsContact C-OG1 3.23Å; R183-T202 WeakPolarHBondContact CA-OG1 3.36Å; R183-T202 PolarHBondContact O-N 2.96Å; R183-T202 PolarHBondContact O-OG1 3.14Å; Y185-T202 HydrophobicContact CD1-CG2 4.39Å; Y185-T202 HydrophobicContact CD2-CG2 3.7Å; Y185-T202 HydrophobicContact CE1-CG2 4.17Å; Y185-T202 HydrophobicContact CE2-CG2 3.49Å; Y185-T202 VanDerWaalsContact CE2-CG2 3.49Å; Y185-T202 HydrophobicContact CG-CG2 4.15Å; T202-P208 HydrophobicContact CG2-CB 3.86Å | ||
| 203 | G | 81.6 | Confident | 84.7 | Confident | 37 Ų | 37 | 65.2 Ų | 65.2 | 38% | 0.381 | 34% | 0.338 | S | S | . | . | trans | 87.5 | -155.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | P201 Q205 | P201-G203 PolarHBondContact O-N 2.96Å; G203-Q205 VanDerWaalsContact C-N 3.32Å | ||
| 204 | K | 75.1 | Confident | 85 | Confident | 186 Ų | 186 | 59.9 Ų | 59.9 | 81% | 0.809 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -75 | -21.2 | 177.5 | -62.2 | 174 | -174.5 | 166.8 | 0 | 112.5 | D223 | K204-D223 WeakPolarHBondContact CA-OD1 3.39Å; K204-D223 WeakPolarHBondContact CB-OD1 3.42Å; K204-D223 PolarHBondContact N-OD1 3.4Å; K204-D223 PolarHBondContact N-OD2 3.32Å |
| 205 | Q | 69.7 | Low | 85.2 | Confident | 54 Ų | 54 | 63.2 Ų | 63.2 | 25% | 0.252 | 35% | 0.345 | S | S | . | . | trans | -73 | 139.9 | 175.2 | -100.4 | -170.1 | -20.8 | 0 | 0 | 112.3 | G203 D223 I246 | G203-Q205 VanDerWaalsContact C-N 3.32Å; Q205-D223 PolarHBondContact N-OD1 3.2Å; Q205-I246 HydrophobicContact CG-CD1 4.37Å; Q205-I246 HydrophobicContact CG-CG2 3.89Å | ||
| 206 | L | 68.8 | Low | 85 | Confident | 115 Ų | 115 | 61.9 Ų | 61.9 | 60% | 0.602 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -89.2 | -8.8 | 178.1 | -61.3 | 178 | 0 | 0 | 0 | 113.2 | K182 | K182-L206 HydrophobicContact CG-CD2 4.46Š|
| 207 | E | 84.2 | Confident | 85.1 | Confident | 149 Ų | 149 | 61 Ų | 61 | 70% | 0.696 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -119.1 | 107.9 | 179.8 | -67 | -172.4 | 166.6 | 0 | 0 | 108.7 | ||
| 208 | P | 90.5 | Very high | 85.1 | Confident | 13 Ų | 13 | 56.9 Ų | 56.9 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | trans | -70.9 | 153.5 | 178.7 | 30.6 | -37.9 | 0 | 0 | 0 | 111.8 | K168 S169 G180 F181 Y185 T202 | K168-P208 HydrophobicContact CB-CG 3.48Å; K168-P208 VanDerWaalsContact CB-CG 3.48Å; S169-P208 WeakPolarHBondContact CB-O 3.02Å; S169-P208 WeakPolarHBondContact OG-CB 3.49Å; S169-P208 WeakPolarHBondContact OG-CG 3.48Å; S169-P208 PolarHBondContact OG-O 2.7Å; S169-P208 VanDerWaalsContact OG-O 3.12Å; G180-P208 WeakPolarHBondContact O-CG 3.47Å; F181-P208 WeakPolarHBondContact O-CD 3.23Å; F181-P208 VanDerWaalsContact O-CG 3.22Å; F181-P208 WeakPolarHBondContact O-CG 3.48Å; Y185-P208 HydrophobicContact CE1-CB 3.51Å; Y185-P208 WeakPolarHBondContact OH-CA 3.06Å; Y185-P208 WeakPolarHBondContact OH-CB 3.34Å; T202-P208 HydrophobicContact CG2-CB 3.86Å | ||
| 209 | L | 92.3 | Very high | 85.2 | Confident | 23 Ų | 23 | 51.1 Ų | 51.1 | 12% | 0.12 | 29% | 0.287 | C | S | . | . | trans | -127.3 | 121.9 | -178.4 | -179.6 | 58.6 | 0 | 0 | 0 | 110.5 | Y185 G221 P247 M250 | Y185-L209 PolarHBondContact OH-N 2.9Å; Y185-L209 PolarHBondContact OH-O 3.27Å; L209-G221 PolarHBondContact O-N 3.18Å; L209-P247 HydrophobicContact CD2-CB 3.74Å; L209-M250 HydrophobicContact CD2-CE 3.53Å; L209-M250 HydrophobicContact CD2-CG 3.97Å; L209-M250 HydrophobicContact CD2-SD 4.34Å; L209-M250 HydrophobicContact CG-CE 3.68Å | ||
| 210 | V | 93.2 | Very high | 85.3 | Confident | 15 Ų | 15 | 49.5 Ų | 49.5 | 9% | 0.091 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 127.5 | 176.8 | -175.6 | 0 | 0 | 0 | 0 | 107.4 | S169 A171 C178 Y185 V218 A219 V220 | S169-V210 WeakPolarHBondContact OG-CG2 3.2Å; A171-V210 HydrophobicContact CB-CB 4.4Å; A171-V210 HydrophobicContact CB-CG1 3.55Å; C178-V210 HydrophobicContact CB-CG1 3.94Å; Y185-V210 HydrophobicContact CD1-CG2 4.05Å; Y185-V210 HydrophobicContact CE1-CG2 3.63Å; V210-V218 HydrophobicContact CG1-CB 4.33Å; V210-A219 WeakPolarHBondContact CA-O 3.35Å; V210-V220 HydrophobicContact CG1-CG2 4.47Å |
| 211 | A | 92.1 | Very high | 85.4 | Confident | 5 Ų | 5 | 48 Ų | 48 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 136.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | V218 A219 M250 | A211-V218 WeakPolarHBondContact O-CA 3.37Å; A211-A219 PolarHBondContact N-O 2.89Å; A211-A219 PolarHBondContact O-N 2.96Å; A211-M250 HydrophobicContact CB-CB 3.97Å |
| 212 | P | 90.7 | Very high | 85.4 | Confident | 77 Ų | 77 | 47.4 Ų | 47.4 | 50% | 0.5 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 147.2 | 174.8 | 30.4 | -33.5 | 0 | 0 | 0 | 111.3 | A171 | A171-P212 HydrophobicContact CB-CB 4.42Å |
| 213 | L | 89.1 | Confident | 85.7 | Confident | 18 Ų | 18 | 48.8 Ų | 48.8 | 9% | 0.094 | 27% | 0.272 | C | S | . | . | trans | -111.6 | 163.6 | 172.2 | -56.3 | -179.2 | 0 | 0 | 0 | 110.2 | D215 K217 A219 V228 H252 I257 F270 | L213-D215 VanDerWaalsContact C-N 3.28Å; L213-D215 WeakPolarHBondContact CB-OD1 3.22Å; L213-D215 PolarHBondContact O-N 2.82Å; L213-K217 HydrophobicContact CB-CB 4.27Å; L213-K217 WeakPolarHBondContact CB-O 3.39Å; L213-K217 HydrophobicContact CD1-CB 4.07Å; L213-K217 PolarHBondContact N-O 3.01Å; L213-A219 HydrophobicContact CD1-CB 4.29Å; L213-A219 HydrophobicContact CD2-CB 3.96Å; L213-A219 HydrophobicContact CG-CB 4.22Å; L213-V228 HydrophobicContact CD1-CB 4.32Å; L213-V228 HydrophobicContact CD1-CG1 3.45Å; L213-V228 VanDerWaalsContact CD1-CG1 3.45Å; L213-V228 HydrophobicContact CD1-CG2 3.92Å; L213-H252 HydrophobicContact CD2-CB 3.48Å; L213-H252 VanDerWaalsContact CD2-CB 3.48Å; L213-I257 HydrophobicContact CD2-CD1 4.49Å; L213-F270 HydrophobicContact CD1-CE2 4.03Å; L213-F270 HydrophobicContact CD1-CZ 4.14Å; L213-F270 HydrophobicContact CD2-CE2 4Å; L213-F270 HydrophobicContact CD2-CZ 4.25Å | ||
| 214 | A | 77.1 | Confident | 86.1 | Confident | 77 Ų | 77 | 50.5 Ų | 50.5 | 64% | 0.636 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -18.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | H252 P254 | A214-H252 PolarHBondContact N-ND1 2.73Å; A214-P254 HydrophobicContact CB-CG 3.66Å |
| 215 | D | 78 | Confident | 86.8 | Confident | 80 Ų | 80 | 44 Ų | 44 | 43% | 0.428 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 30 | -174.4 | 61.4 | -17.9 | 0 | 0 | 0 | 113 | L213 K217 | L213-D215 VanDerWaalsContact C-N 3.28Å; L213-D215 WeakPolarHBondContact CB-OD1 3.22Å; L213-D215 PolarHBondContact O-N 2.82Å; D215-K217 PolarHBondContact O-N 3.27Å; D215-K217 WeakPolarHBondContact OD1-CB 3.4Å; D215-K217 WeakPolarHBondContact OD2-CD 3.2Å; D215-K217 WeakPolarHBondContact OD2-CE 3.4Å; D215-K217 IonicContact OD2-NZ 3.77Å; D215-K217 PolarHBondContact OD2-NZ 2.84Å |
| 216 | G | 81.8 | Confident | 87.9 | Confident | 21 Ų | 21 | 41.4 Ų | 41.4 | 22% | 0.216 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 73 | 3.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | C173 | C173-G216 PolarHBondContact SG-O 2.92Š|
| 217 | K | 90.6 | Very high | 88.9 | Confident | 59 Ų | 59 | 36.9 Ų | 36.9 | 26% | 0.257 | 21% | 0.211 | S | C | . | . | trans | -94.5 | 170.5 | 179.5 | -61.8 | 176.9 | -162.1 | 155.2 | 0 | 111.7 | L213 D215 V228 L229 T236 | L213-K217 HydrophobicContact CB-CB 4.27Å; L213-K217 WeakPolarHBondContact CB-O 3.39Å; L213-K217 HydrophobicContact CD1-CB 4.07Å; L213-K217 PolarHBondContact N-O 3.01Å; D215-K217 PolarHBondContact O-N 3.27Å; D215-K217 WeakPolarHBondContact OD1-CB 3.4Å; D215-K217 WeakPolarHBondContact OD2-CD 3.2Å; D215-K217 WeakPolarHBondContact OD2-CE 3.4Å; D215-K217 IonicContact OD2-NZ 3.77Å; D215-K217 PolarHBondContact OD2-NZ 2.84Å; K217-V228 HydrophobicContact CB-CG1 3.82Å; K217-V228 HydrophobicContact CD-CG1 3.76Å; K217-V228 HydrophobicContact CG-CG1 4.36Å; K217-L229 VanDerWaalsContact CA-O 3.31Å; K217-L229 WeakPolarHBondContact CA-O 3.4Å; K217-L229 VanDerWaalsContact CB-O 3.24Å; K217-L229 WeakPolarHBondContact CB-O 3.46Å; K217-T236 HydrophobicContact CD-CG2 3.91Å | ||
| 218 | V | 92.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 139.8 | 173.7 | -69.2 | 0 | 0 | 0 | 0 | 111.1 | A171 W172 C173 C178 V210 A211 V220 V228 L229 | A171-V218 HydrophobicContact CB-CG1 4.19Å; W172-V218 WeakPolarHBondContact O-CG1 3.2Å; C173-V218 HydrophobicContact CB-CB 4.49Å; C173-V218 HydrophobicContact CB-CG1 3.62Å; C173-V218 HydrophobicContact CB-CG2 4.12Å; C178-V218 HydrophobicContact CB-CG2 3.85Å; V210-V218 HydrophobicContact CG1-CB 4.33Å; A211-V218 WeakPolarHBondContact O-CA 3.37Å; V218-V220 HydrophobicContact CG2-CG2 4.23Å; V218-V228 WeakPolarHBondContact O-CA 3.48Å; V218-L229 HydrophobicContact CG2-CB 3.99Å; V218-L229 PolarHBondContact N-O 2.83Å; V218-L229 PolarHBondContact O-N 3.47Å |
| 219 | A | 92.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 122.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | V210 A211 L213 T226 M250 I257 | V210-A219 WeakPolarHBondContact CA-O 3.35Å; A211-A219 PolarHBondContact N-O 2.89Å; A211-A219 PolarHBondContact O-N 2.96Å; L213-A219 HydrophobicContact CD1-CB 4.29Å; L213-A219 HydrophobicContact CD2-CB 3.96Å; L213-A219 HydrophobicContact CG-CB 4.22Å; A219-T226 HydrophobicContact CB-CG2 3.74Å; A219-M250 HydrophobicContact CB-CE 4.42Å; A219-I257 HydrophobicContact CB-CD1 4.12Å |
| 220 | V | 92.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 123.5 | -178.8 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | Y185 F200 V210 V218 T226 V227 L229 | Y185-V220 HydrophobicContact CD1-CG1 3.63Å; Y185-V220 HydrophobicContact CD2-CG1 3.56Å; Y185-V220 HydrophobicContact CE1-CG1 3.54Å; Y185-V220 HydrophobicContact CE2-CG1 3.42Å; Y185-V220 VanDerWaalsContact CE2-CG1 3.42Å; Y185-V220 HydrophobicContact CG-CG1 3.66Å; Y185-V220 VanDerWaalsContact CZ-CG1 3.43Å; F200-V220 HydrophobicContact CE2-CG1 3.83Å; F200-V220 HydrophobicContact CZ-CB 3.96Å; F200-V220 HydrophobicContact CZ-CG1 3.6Å; V210-V220 HydrophobicContact CG1-CG2 4.47Å; V218-V220 HydrophobicContact CG2-CG2 4.23Å; V220-T226 WeakPolarHBondContact O-CA 3.46Å; V220-V227 PolarHBondContact N-O 3.39Å; V220-V227 PolarHBondContact O-N 3.04Å; V220-L229 HydrophobicContact CB-CD1 4.39Å; V220-L229 HydrophobicContact CG2-CD1 3.65Å; V220-L229 HydrophobicContact CG2-CG 4.24Å |
| 221 | G | 90.7 | Very high | 88.9 | Confident | 6 Ų | 6 | 31.2 Ų | 31.2 | 6% | 0.062 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 135.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y185 L209 L225 | Y185-G221 WeakPolarHBondContact CE2-O 3.5Å; Y185-G221 VanDerWaalsContact CZ-O 3.23Å; Y185-G221 PolarHBondContact OH-O 3.44Å; L209-G221 PolarHBondContact O-N 3.18Å; G221-L225 CarbonylContact C-O 3.57Å; G221-L225 WeakPolarHBondContact CA-O 3.19Å |
| 222 | Q | 89.5 | Confident | 88.6 | Confident | 58 Ų | 58 | 34.7 Ų | 34.7 | 27% | 0.271 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 98.6 | 172.3 | -175.2 | -178.9 | 11.2 | 0 | 0 | 108.2 | F200 P201 D224 L225 | F200-Q222 HydrophobicContact CD2-CB 4.42Å; F200-Q222 HydrophobicContact CD2-CG 4.4Å; F200-Q222 HydrophobicContact CE2-CB 4.04Å; P201-Q222 PolarHBondContact O-NE2 3Å; Q222-D224 PolarHBondContact O-N 3.25Å; Q222-L225 PolarHBondContact N-O 3.3Å; Q222-L225 WeakPolarHBondContact O-CA 3.38Å; Q222-L225 VanDerWaalsContact O-CB 3.32Å; Q222-L225 WeakPolarHBondContact O-CB 3.36Å; Q222-L225 PolarHBondContact O-N 3.19Å |
| 223 | D | 88.8 | Confident | 88.2 | Confident | 31 Ų | 31 | 31.5 Ų | 31.5 | 17% | 0.166 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | -131.1 | -168 | -63.4 | -38.8 | 0 | 0 | 0 | 111 | K204 Q205 L225 I246 | K204-D223 WeakPolarHBondContact CA-OD1 3.39Å; K204-D223 WeakPolarHBondContact CB-OD1 3.42Å; K204-D223 PolarHBondContact N-OD1 3.4Å; K204-D223 PolarHBondContact N-OD2 3.32Å; Q205-D223 PolarHBondContact N-OD1 3.2Å; D223-L225 PolarHBondContact O-N 3.18Å; D223-I246 WeakPolarHBondContact O-CG2 3.21Å |
| 224 | D | 89.3 | Confident | 88 | Confident | 73 Ų | 73 | 35.2 Ų | 35.2 | 39% | 0.39 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 6.1 | 176.5 | 62.7 | -29.4 | 0 | 0 | 0 | 113.6 | Q222 N242 W243 | Q222-D224 PolarHBondContact O-N 3.25Å; D224-N242 CarbonylContact O-C 3.53Å; D224-W243 WeakPolarHBondContact O-CB 3.39Å; D224-W243 VanDerWaalsContact O-CD1 3.31Å; D224-W243 PolarHBondContact O-N 3.27Å |
| 225 | L | 90.7 | Very high | 88.4 | Confident | 50 Ų | 50 | 34.9 Ų | 34.9 | 26% | 0.262 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 151.3 | 178.9 | -55.8 | -176.4 | 0 | 0 | 0 | 112.1 | G221 Q222 D223 A240 L241 N242 | G221-L225 CarbonylContact C-O 3.57Å; G221-L225 WeakPolarHBondContact CA-O 3.19Å; Q222-L225 PolarHBondContact N-O 3.3Å; Q222-L225 WeakPolarHBondContact O-CA 3.38Å; Q222-L225 VanDerWaalsContact O-CB 3.32Å; Q222-L225 WeakPolarHBondContact O-CB 3.36Å; Q222-L225 PolarHBondContact O-N 3.19Å; D223-L225 PolarHBondContact O-N 3.18Å; L225-A240 HydrophobicContact CB-CB 4.05Å; L225-A240 HydrophobicContact CD1-CB 4.37Å; L225-A240 HydrophobicContact CD2-CB 4.47Å; L225-L241 CarbonylContact C-O 3.49Å; L225-L241 WeakPolarHBondContact CA-O 3.36Å; L225-N242 HydrophobicContact CD2-CB 3.94Å; L225-N242 VanDerWaalsContact CD2-CG 3.41Å; L225-N242 WeakPolarHBondContact CD2-OD1 3.49Å |
| 226 | T | 91.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 129.2 | 167.6 | -66.7 | 0 | 0 | 0 | 0 | 110.7 | A219 V220 A240 L241 W243 M250 | A219-T226 HydrophobicContact CB-CG2 3.74Å; V220-T226 WeakPolarHBondContact O-CA 3.46Å; T226-A240 WeakPolarHBondContact O-CA 3.49Å; T226-L241 PolarHBondContact N-O 3.25Å; T226-L241 PolarHBondContact O-N 3.43Å; T226-W243 PolarHBondContact OG1-NE1 3.31Å; T226-M250 HydrophobicContact CG2-CE 3.92Å; T226-M250 HydrophobicContact CG2-SD 4.04Å |
| 227 | V | 90.8 | Very high | 87.8 | Confident | 19 Ų | 19 | 33.9 Ų | 33.9 | 12% | 0.115 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 137.1 | -179.4 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | F200 V220 L229 C235 A240 | F200-V227 HydrophobicContact CE1-CB 4.48Å; F200-V227 HydrophobicContact CE1-CG1 4.48Å; F200-V227 HydrophobicContact CZ-CB 4.14Å; F200-V227 HydrophobicContact CZ-CG2 4.34Å; V220-V227 PolarHBondContact N-O 3.39Å; V220-V227 PolarHBondContact O-N 3.04Å; V227-L229 HydrophobicContact CG1-CD2 3.91Å; V227-C235 HydrophobicContact CG1-CB 4.11Å; V227-C235 WeakPolarHBondContact CG1-SG 3.44Å; V227-A240 HydrophobicContact CG2-CB 3.9Å |
| 228 | V | 91.3 | Very high | 86.6 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 122.3 | 176.9 | -177.5 | 0 | 0 | 0 | 0 | 110.6 | L213 K217 V218 C235 T236 F270 | L213-V228 HydrophobicContact CD1-CB 4.32Å; L213-V228 HydrophobicContact CD1-CG1 3.45Å; L213-V228 VanDerWaalsContact CD1-CG1 3.45Å; L213-V228 HydrophobicContact CD1-CG2 3.92Å; K217-V228 HydrophobicContact CB-CG1 3.82Å; K217-V228 HydrophobicContact CD-CG1 3.76Å; K217-V228 HydrophobicContact CG-CG1 4.36Å; V218-V228 WeakPolarHBondContact O-CA 3.48Å; V228-C235 WeakPolarHBondContact O-CA 3.46Å; V228-T236 WeakPolarHBondContact CG1-OG1 3.35Å; V228-T236 PolarHBondContact O-N 3.05Å; V228-T236 PolarHBondContact O-OG1 3.42Å; V228-F270 HydrophobicContact CG2-CD1 3.9Å; V228-F270 HydrophobicContact CG2-CE1 3.31Å; V228-F270 HydrophobicContact CG2-CE2 4.36Å; V228-F270 HydrophobicContact CG2-CZ 3.57Å |
| 229 | L | 90.8 | Very high | 85.5 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 146.1 | -177.8 | -55 | 176.7 | 0 | 0 | 0 | 111.3 | L199 F200 K217 V218 V220 V227 | L199-L229 HydrophobicContact CD1-CD1 3.49Å; L199-L229 VanDerWaalsContact CD1-CD1 3.49Å; L199-L229 HydrophobicContact CD2-CD1 4.25Å; L199-L229 HydrophobicContact CG-CD1 4.42Å; F200-L229 HydrophobicContact CE1-CD1 4.22Å; F200-L229 HydrophobicContact CE1-CD2 4.37Å; K217-L229 VanDerWaalsContact CA-O 3.31Å; K217-L229 WeakPolarHBondContact CA-O 3.4Å; K217-L229 VanDerWaalsContact CB-O 3.24Å; K217-L229 WeakPolarHBondContact CB-O 3.46Å; V218-L229 HydrophobicContact CG2-CB 3.99Å; V218-L229 PolarHBondContact N-O 2.83Å; V218-L229 PolarHBondContact O-N 3.47Å; V220-L229 HydrophobicContact CB-CD1 4.39Å; V220-L229 HydrophobicContact CG2-CD1 3.65Å; V220-L229 HydrophobicContact CG2-CG 4.24Å; V227-L229 HydrophobicContact CG1-CD2 3.91Å |
| 230 | N | 89.9 | Confident | 85.1 | Confident | 33 Ų | 33 | 45.5 Ų | 45.5 | 18% | 0.176 | 24% | 0.244 | C | C | . | . | trans | -95.3 | -174.4 | 169.6 | 68.3 | -3.1 | 0 | 0 | 0 | 112.4 | E232 G233 I234 T236 | N230-E232 PolarHBondContact ND2-OE2 2.95Å; N230-E232 PolarHBondContact O-N 3.27Å; N230-E232 PolarHBondContact OD1-N 3.39Å; N230-E232 PolarHBondContact OD1-OE2 3.34Å; N230-G233 PolarHBondContact O-N 3.26Å; N230-G233 PolarHBondContact OD1-N 3.11Å; N230-I234 PolarHBondContact N-O 2.88Å; N230-I234 PolarHBondContact OD1-N 2.76Å; N230-I234 PolarHBondContact OD1-O 3.41Å; N230-T236 HydrophobicContact CB-CG2 3.72Å | ||
| 231 | E | 86.9 | Confident | 84.9 | Confident | 45 Ų | 45 | 45.6 Ų | 45.6 | 21% | 0.21 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21.2 | 179.6 | -156.6 | -153 | 147.2 | 0 | 0 | 113.9 | E174 N175 S176 L187 R189 | E174-E231 HydrophobicContact CB-CG 4.3Å; N175-E231 WeakPolarHBondContact CB-OE1 3.42Å; S176-E231 WeakPolarHBondContact OG-CG 3.48Å; S176-E231 PolarHBondContact OG-O 3.33Å; L187-E231 WeakPolarHBondContact CD2-O 3.24Å; R189-E231 PolarHBondContact NE-O 3.04Å; R189-E231 PolarHBondContact NH2-O 3.37Å; R189-E231 VanDerWaalsContact NH2-O 3.16Å |
| 232 | E | 86.3 | Confident | 85 | Confident | 79 Ų | 79 | 49.6 Ų | 49.6 | 37% | 0.369 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -9.1 | 173.1 | -63.4 | 66.1 | -139.3 | 0 | 0 | 113.2 | R189 K197 N230 I234 | R189-E232 VanDerWaalsContact NH2-CA 3.35Å; R189-E232 IonicContact NH2-OE1 3.31Å; K197-E232 WeakPolarHBondContact CD-O 3.44Å; K197-E232 PolarHBondContact NZ-O 2.94Å; N230-E232 PolarHBondContact ND2-OE2 2.95Å; N230-E232 PolarHBondContact O-N 3.27Å; N230-E232 PolarHBondContact OD1-N 3.39Å; N230-E232 PolarHBondContact OD1-OE2 3.34Å; E232-I234 VanDerWaalsContact C-N 3.32Å; E232-I234 HydrophobicContact CB-CD1 3.81Å; E232-I234 HydrophobicContact CB-CG1 3.82Å; E232-I234 HydrophobicContact CG-CD1 4.38Å |
| 233 | G | 82.1 | Confident | 85.1 | Confident | 9 Ų | 9 | 47.2 Ų | 47.2 | 9% | 0.093 | 25% | 0.253 | C | S | . | . | trans | 67.8 | 35.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L187 K197 N230 | L187-G233 VanDerWaalsContact CD2-CA 3.5Å; K197-G233 PolarHBondContact NZ-O 2.96Å; N230-G233 PolarHBondContact O-N 3.26Å; N230-G233 PolarHBondContact OD1-N 3.11Å | ||
| 234 | I | 85.6 | Confident | 85.2 | Confident | 96 Ų | 96 | 49.2 Ų | 49.2 | 49% | 0.492 | 27% | 0.266 | S | S | . | . | trans | -100.9 | 135.3 | 172.3 | -60.4 | 174 | 0 | 0 | 0 | 107.7 | N230 E232 T236 | N230-I234 PolarHBondContact N-O 2.88Å; N230-I234 PolarHBondContact OD1-N 2.76Å; N230-I234 PolarHBondContact OD1-O 3.41Å; E232-I234 VanDerWaalsContact C-N 3.32Å; E232-I234 HydrophobicContact CB-CD1 3.81Å; E232-I234 HydrophobicContact CB-CG1 3.82Å; E232-I234 HydrophobicContact CG-CD1 4.38Å; I234-T236 PolarHBondContact O-N 2.91Å | ||
| 235 | C | 83.8 | Confident | 85.3 | Confident | 70 Ų | 70 | 48.9 Ų | 48.9 | 47% | 0.473 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -65.3 | 115.8 | 175.2 | -56.3 | 0 | 0 | 0 | 0 | 109.7 | V227 V228 Q237 | V227-C235 HydrophobicContact CG1-CB 4.11Å; V227-C235 WeakPolarHBondContact CG1-SG 3.44Å; V228-C235 WeakPolarHBondContact O-CA 3.46Å; C235-Q237 VanDerWaalsContact C-N 3.34Å |
| 236 | T | 76.9 | Confident | 85.3 | Confident | 52 Ų | 52 | 48.6 Ų | 48.6 | 32% | 0.319 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -77.5 | -23.8 | -179.2 | 55.1 | 0 | 0 | 0 | 0 | 112.6 | K217 V228 N230 I234 | K217-T236 HydrophobicContact CD-CG2 3.91Å; V228-T236 WeakPolarHBondContact CG1-OG1 3.35Å; V228-T236 PolarHBondContact O-N 3.05Å; V228-T236 PolarHBondContact O-OG1 3.42Å; N230-T236 HydrophobicContact CB-CG2 3.72Å; I234-T236 PolarHBondContact O-N 2.91Å |
| 237 | Q | 71.2 | Confident | 85.3 | Confident | 29 Ų | 29 | 48.8 Ų | 48.8 | 14% | 0.136 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -104.9 | 139 | 178.9 | -67.1 | 173.9 | 19.4 | 0 | 0 | 111.2 | C235 C239 F270 | C235-Q237 VanDerWaalsContact C-N 3.34Å; Q237-C239 PolarHBondContact O-N 3.34Å; Q237-F270 VanDerWaalsContact NE2-CB 3.31Å; Q237-F270 VanDerWaalsContact NE2-CG 3.26Å |
| 238 | K | 64.8 | Low | 85.4 | Confident | 211 Ų | 211 | 50.9 Ų | 50.9 | 92% | 0.917 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -65 | -21.9 | -177.2 | -67.3 | -175.2 | 179 | 176.6 | 0 | 114.1 | ||
| 239 | C | 70.5 | Confident | 85.4 | Confident | 66 Ų | 66 | 51.7 Ų | 51.7 | 45% | 0.446 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -145.3 | 150.3 | 171.1 | -24.3 | 0 | 0 | 0 | 0 | 110.4 | Q237 R273 | Q237-C239 PolarHBondContact O-N 3.34Å; C239-R273 PolarHBondContact O-NH1 2.84Å; C239-R273 PolarHBondContact SG-NH1 2.87Å |
| 240 | A | 83.5 | Confident | 85.6 | Confident | 25 Ų | 25 | 52 Ų | 52 | 21% | 0.207 | 29% | 0.285 | C | S | . | . | trans | -61.4 | 156.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | L225 T226 V227 N242 | L225-A240 HydrophobicContact CB-CB 4.05Å; L225-A240 HydrophobicContact CD1-CB 4.37Å; L225-A240 HydrophobicContact CD2-CB 4.47Å; T226-A240 WeakPolarHBondContact O-CA 3.49Å; V227-A240 HydrophobicContact CG2-CB 3.9Å; A240-N242 PolarHBondContact O-OD1 3.48Å | ||
| 241 | L | 88.4 | Confident | 85.7 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 123.4 | 171.4 | -172.6 | 72 | 0 | 0 | 0 | 109.1 | L225 T226 W243 I257 R268 F270 | L225-L241 CarbonylContact C-O 3.49Å; L225-L241 WeakPolarHBondContact CA-O 3.36Å; T226-L241 PolarHBondContact N-O 3.25Å; T226-L241 PolarHBondContact O-N 3.43Å; L241-W243 HydrophobicContact CD2-CH2 3.72Å; L241-W243 HydrophobicContact CD2-CZ2 3.31Å; L241-W243 HydrophobicContact CD2-CZ3 4.45Å; L241-W243 HydrophobicContact CG-CZ2 4.34Å; L241-I257 HydrophobicContact CD2-CG2 3.65Å; L241-R268 HydrophobicContact CD1-CB 4.26Å; L241-R268 HydrophobicContact CD2-CB 4.14Å; L241-F270 HydrophobicContact CD2-CD1 4.4Å; L241-F270 HydrophobicContact CD2-CE1 4.1Å |
| 242 | N | 91.3 | Very high | 85.9 | Confident | 90 Ų | 90 | 52.3 Ų | 52.3 | 48% | 0.481 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 105.6 | -175.2 | -60.2 | 12.2 | 0 | 0 | 0 | 111.8 | D224 L225 A240 R268 | D224-N242 CarbonylContact O-C 3.53Å; L225-N242 HydrophobicContact CD2-CB 3.94Å; L225-N242 VanDerWaalsContact CD2-CG 3.41Å; L225-N242 WeakPolarHBondContact CD2-OD1 3.49Å; A240-N242 PolarHBondContact O-OD1 3.48Å; N242-R268 PolarHBondContact O-NH1 3.23Å; N242-R268 PolarHBondContact O-NH2 2.78Å |
| 243 | W | 92.1 | Very high | 86 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 3% | 0.03 | 27% | 0.272 | C | S | . | . | trans | -74.2 | 162.8 | 176.1 | -57.2 | 102.8 | 0 | 0 | 0 | 112.4 | D224 T226 L241 D245 P247 M250 I257 A259 E266 R268 | D224-W243 WeakPolarHBondContact O-CB 3.39Å; D224-W243 VanDerWaalsContact O-CD1 3.31Å; D224-W243 PolarHBondContact O-N 3.27Å; T226-W243 PolarHBondContact OG1-NE1 3.31Å; L241-W243 HydrophobicContact CD2-CH2 3.72Å; L241-W243 HydrophobicContact CD2-CZ2 3.31Å; L241-W243 HydrophobicContact CD2-CZ3 4.45Å; L241-W243 HydrophobicContact CG-CZ2 4.34Å; W243-D245 WeakPolarHBondContact CB-O 3.38Å; W243-P247 HydrophobicContact CB-CG 4.15Å; W243-P247 HydrophobicContact CD2-CG 4.04Å; W243-P247 HydrophobicContact CG-CG 3.58Å; W243-M250 HydrophobicContact CZ2-SD 3.93Å; W243-I257 HydrophobicContact CH2-CG1 4.17Å; W243-I257 HydrophobicContact CH2-CG2 3.88Å; W243-I257 HydrophobicContact CZ2-CD1 4.33Å; W243-I257 HydrophobicContact CZ2-CG1 4.18Å; W243-I257 HydrophobicContact CZ2-CG2 4.21Å; W243-A259 HydrophobicContact CD2-CB 3.99Å; W243-A259 HydrophobicContact CE3-CB 3.72Å; W243-A259 HydrophobicContact CH2-CB 3.43Å; W243-A259 VanDerWaalsContact CH2-CB 3.43Å; W243-A259 HydrophobicContact CZ2-CB 3.7Å; W243-A259 HydrophobicContact CZ3-CB 3.44Å; W243-A259 VanDerWaalsContact CZ3-CB 3.44Å; W243-E266 HydrophobicContact CE3-CB 4.12Å; W243-E266 HydrophobicContact CE3-CG 4.12Å; W243-E266 HydrophobicContact CZ3-CB 4.12Å; W243-E266 HydrophobicContact CZ3-CG 4.19Å; W243-R268 HydrophobicContact CE3-CG 4.2Å; W243-R268 HydrophobicContact CH2-CB 4.16Å; W243-R268 HydrophobicContact CH2-CG 4.26Å; W243-R268 HydrophobicContact CZ3-CB 4.04Å; W243-R268 HydrophobicContact CZ3-CG 3.64Å | ||
| 244 | T | 91.8 | Very high | 86.2 | Confident | 73 Ų | 73 | 51.5 Ų | 51.5 | 45% | 0.448 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -78.7 | -24.4 | 177.1 | 52.9 | 0 | 0 | 0 | 0 | 113.5 | L261 Y264 E266 | T244-L261 VanDerWaalsContact OG1-CD1 3.31Å; T244-L261 WeakPolarHBondContact OG1-CD1 3.45Å; T244-Y264 VanDerWaalsContact CB-OH 3.3Å; T244-Y264 WeakPolarHBondContact CB-OH 3.46Å; T244-Y264 PolarHBondContact OG1-OH 3.37Å; T244-E266 WeakPolarHBondContact CB-OE2 3.49Å; T244-E266 PolarHBondContact N-OE2 2.58Å; T244-E266 VanDerWaalsContact N-OE2 3.13Å; T244-E266 PolarHBondContact OG1-OE2 3.48Å |
| 245 | D | 90.6 | Very high | 86.4 | Confident | 66 Ų | 66 | 48 Ų | 48 | 35% | 0.353 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -147.2 | 173.7 | 172.7 | -160.7 | -7.4 | 0 | 0 | 0 | 108.1 | W243 P247 L261 | W243-D245 WeakPolarHBondContact CB-O 3.38Å; D245-P247 VanDerWaalsContact O-CD 3.31Å; D245-P247 WeakPolarHBondContact O-CD 3.37Å; D245-L261 HydrophobicContact CB-CB 4.48Å; D245-L261 HydrophobicContact CB-CD1 4.04Å; D245-L261 VanDerWaalsContact O-CD2 3.27Å; D245-L261 WeakPolarHBondContact O-CD2 3.48Å |
| 246 | I | 90.5 | Very high | 86.8 | Confident | 45 Ų | 45 | 45.1 Ų | 45.1 | 23% | 0.231 | 25% | 0.247 | C | C | . | . | trans | -75.1 | 120.6 | -174.5 | -51.2 | 176.5 | 0 | 0 | 0 | 110.8 | Q205 D223 | Q205-I246 HydrophobicContact CG-CD1 4.37Å; Q205-I246 HydrophobicContact CG-CG2 3.89Å; D223-I246 WeakPolarHBondContact O-CG2 3.21Å | ||
| 247 | P | 92.9 | Very high | 87.5 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | trans | -63.4 | 139.5 | 178.4 | -22.3 | 34.1 | 0 | 0 | 0 | 114 | L209 W243 D245 M250 A259 L261 | L209-P247 HydrophobicContact CD2-CB 3.74Å; W243-P247 HydrophobicContact CB-CG 4.15Å; W243-P247 HydrophobicContact CD2-CG 4.04Å; W243-P247 HydrophobicContact CG-CG 3.58Å; D245-P247 VanDerWaalsContact O-CD 3.31Å; D245-P247 WeakPolarHBondContact O-CD 3.37Å; P247-M250 HydrophobicContact CB-CG 4.17Å; P247-M250 HydrophobicContact CB-SD 4.43Å; P247-A259 HydrophobicContact CB-CB 4.08Å; P247-A259 HydrophobicContact CG-CB 4.18Å; P247-L261 HydrophobicContact CB-CD2 4.07Å; P247-L261 HydrophobicContact CG-CD2 3.9Å | ||
| 248 | V | 91.4 | Very high | 88.6 | Confident | 63 Ų | 63 | 41.3 Ų | 41.3 | 38% | 0.382 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -96.9 | -36.4 | 175.6 | -177.4 | 0 | 0 | 0 | 0 | 111 | V260 P262 | V248-V260 PolarHBondContact N-O 3.3Å; V248-P262 HydrophobicContact CG2-CG 4.37Å |
| 249 | A | 92.3 | Very high | 90.1 | Very high | 19 Ų | 19 | 31.2 Ų | 31.2 | 16% | 0.157 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 153.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | A259 V260 I287 | A249-A259 WeakPolarHBondContact O-CA 3.32Å; A249-V260 HydrophobicContact CB-CB 4.3Å; A249-V260 HydrophobicContact CB-CG2 4.45Å; A249-V260 PolarHBondContact O-N 3.45Å; A249-I287 HydrophobicContact CB-CG2 3.73Å |
| 250 | M | 93.8 | Very high | 91.2 | Very high | 9 Ų | 9 | 28.1 Ų | 28.1 | 4% | 0.044 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 143.8 | 179.2 | -75.6 | -174.1 | -65.1 | 0 | 0 | 110.4 | L209 A211 A219 T226 W243 P247 I257 I258 A259 | L209-M250 HydrophobicContact CD2-CE 3.53Å; L209-M250 HydrophobicContact CD2-CG 3.97Å; L209-M250 HydrophobicContact CD2-SD 4.34Å; L209-M250 HydrophobicContact CG-CE 3.68Å; A211-M250 HydrophobicContact CB-CB 3.97Å; A219-M250 HydrophobicContact CB-CE 4.42Å; T226-M250 HydrophobicContact CG2-CE 3.92Å; T226-M250 HydrophobicContact CG2-SD 4.04Å; W243-M250 HydrophobicContact CZ2-SD 3.93Å; P247-M250 HydrophobicContact CB-CG 4.17Å; P247-M250 HydrophobicContact CB-SD 4.43Å; M250-I257 HydrophobicContact SD-CD1 4.01Å; M250-I258 WeakPolarHBondContact CA-O 3.45Å; M250-A259 HydrophobicContact CG-CB 3.91Å |
| 251 | E | 92.6 | Very high | 91.7 | Very high | 49 Ų | 49 | 26.9 Ų | 26.9 | 23% | 0.229 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 143 | 171.3 | -166.4 | 72.8 | 177.9 | 0 | 0 | 109 | I258 I287 S289 | E251-I258 PolarHBondContact N-O 3.1Å; E251-I258 PolarHBondContact O-N 3.26Å; E251-I287 HydrophobicContact CB-CD1 3.59Å; E251-I287 HydrophobicContact CB-CG1 3.75Å; E251-I287 HydrophobicContact CB-CG2 4.01Å; E251-S289 WeakPolarHBondContact OE1-CB 3.49Å; E251-S289 PolarHBondContact OE1-N 3.13Å |
| 252 | H | 91.3 | Very high | 91.6 | Very high | 34 Ų | 34 | 29.7 Ų | 29.7 | 16% | 0.157 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.6 | 178.4 | -177.2 | -123.4 | 0 | 0 | 0 | 111.1 | L213 A214 Y256 F270 | L213-H252 HydrophobicContact CD2-CB 3.48Å; L213-H252 VanDerWaalsContact CD2-CB 3.48Å; A214-H252 PolarHBondContact N-ND1 2.73Å; H252-Y256 PolarHBondContact CD2-O 3.36Å; H252-Y256 VanDerWaalsContact CD2-O 3.23Å; H252-F270 AromaticContact CD2-CE2 4Å |
| 253 | Q | 88.9 | Confident | 91.5 | Very high | 20 Ų | 20 | 34.8 Ų | 34.8 | 9% | 0.093 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 94.9 | 172.3 | -175.9 | 87.8 | -68.7 | 0 | 0 | 107.6 | F5 Y256 I295 | F5-Q253 HydrophobicContact CZ-CG 4.41Å; Q253-Y256 CarbonylContact C-O 3.43Å; Q253-Y256 VanDerWaalsContact C-O 3.24Å; Q253-Y256 PolarHBondContact N-O 3.21Å; Q253-Y256 CarbonylContact O-C 3.52Å; Q253-Y256 VanDerWaalsContact O-CA 3.32Å; Q253-Y256 WeakPolarHBondContact O-CA 3.45Å; Q253-Y256 WeakPolarHBondContact O-CB 3.25Å; Q253-Y256 PolarHBondContact O-N 2.89Å; Q253-I295 HydrophobicContact CB-CD1 3.56Å; Q253-I295 HydrophobicContact CG-CD1 3.85Å |
| 254 | P | 86.6 | Confident | 91.5 | Very high | 51 Ų | 51 | 37 Ų | 37 | 33% | 0.331 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -46.1 | 133.9 | -174.3 | -28.5 | 32.5 | 0 | 0 | 0 | 112.9 | A214 Y256 M333 | A214-P254 HydrophobicContact CB-CG 3.66Å; P254-Y256 VanDerWaalsContact C-N 3.33Å; P254-M333 HydrophobicContact CB-CE 3.73Å; P254-M333 WeakPolarHBondContact O-CE 3.33Å |
| 255 | P | 88.6 | Confident | 91.6 | Very high | 24 Ų | 24 | 33.5 Ų | 33.5 | 16% | 0.156 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -88 | 9.4 | 0.8 | 37.4 | -34.4 | 0 | 0 | 0 | 113.9 | L326 L330 M333 | P255-L326 HydrophobicContact CG-CD1 4.46Å; P255-L330 HydrophobicContact CG-CD2 3.78Å; P255-M333 HydrophobicContact CB-SD 4.02Å; P255-M333 VanDerWaalsContact CD-SD 3.59Å; P255-M333 HydrophobicContact CG-SD 4Å |
| 256 | Y | 91.9 | Very high | 91.8 | Very high | 8 Ų | 8 | 30.3 Ų | 30.3 | 3% | 0.031 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 139.5 | -171.6 | -57.2 | -57.1 | 0 | 0 | 0 | 112.9 | H2 A4 F5 H252 Q253 P254 I267 R268 T269 V276 Q314 L330 | H2-Y256 PolarHBondContact NE2-OH 3.14Å; H2-Y256 VanDerWaalsContact NE2-OH 3.1Å; A4-Y256 HydrophobicContact CB-CD2 4.37Å; A4-Y256 HydrophobicContact CB-CE1 4.35Å; A4-Y256 HydrophobicContact CB-CE2 3.93Å; F5-Y256 AromaticContact CE2-CD2 3.84Å; F5-Y256 HydrophobicContact CE2-CD2 3.84Å; F5-Y256 HydrophobicContact CE2-CG 4.26Å; F5-Y256 HydrophobicContact CZ-CD2 4.19Å; H252-Y256 PolarHBondContact CD2-O 3.36Å; H252-Y256 VanDerWaalsContact CD2-O 3.23Å; Q253-Y256 CarbonylContact C-O 3.43Å; Q253-Y256 VanDerWaalsContact C-O 3.24Å; Q253-Y256 PolarHBondContact N-O 3.21Å; Q253-Y256 CarbonylContact O-C 3.52Å; Q253-Y256 VanDerWaalsContact O-CA 3.32Å; Q253-Y256 WeakPolarHBondContact O-CA 3.45Å; Q253-Y256 WeakPolarHBondContact O-CB 3.25Å; Q253-Y256 PolarHBondContact O-N 2.89Å; P254-Y256 VanDerWaalsContact C-N 3.33Å; Y256-I267 HydrophobicContact CD1-CG2 4.06Å; Y256-I267 HydrophobicContact CG-CG2 4.08Å; Y256-R268 CarbonylContact C-O 3.49Å; Y256-R268 WeakPolarHBondContact CA-O 3.43Å; Y256-T269 HydrophobicContact CD1-CG2 3.54Å; Y256-T269 HydrophobicContact CE1-CG2 3.61Å; Y256-V276 HydrophobicContact CD1-CG2 4.1Å; Y256-V276 HydrophobicContact CE1-CG1 4.15Å; Y256-V276 HydrophobicContact CE1-CG2 3.84Å; Y256-Q314 PolarHBondContact OH-OE1 2.85Å; Y256-L330 HydrophobicContact CE2-CD2 4.4Å |
| 257 | I | 92.4 | Very high | 92 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 130.9 | 162.3 | -177.9 | 158.7 | 0 | 0 | 0 | 109.1 | L213 A219 L241 W243 M250 R268 F270 | L213-I257 HydrophobicContact CD2-CD1 4.49Å; A219-I257 HydrophobicContact CB-CD1 4.12Å; L241-I257 HydrophobicContact CD2-CG2 3.65Å; W243-I257 HydrophobicContact CH2-CG1 4.17Å; W243-I257 HydrophobicContact CH2-CG2 3.88Å; W243-I257 HydrophobicContact CZ2-CD1 4.33Å; W243-I257 HydrophobicContact CZ2-CG1 4.18Å; W243-I257 HydrophobicContact CZ2-CG2 4.21Å; M250-I257 HydrophobicContact SD-CD1 4.01Å; I257-R268 HydrophobicContact CG2-CB 4.15Å; I257-R268 PolarHBondContact N-O 3.47Å; I257-R268 PolarHBondContact O-N 3.1Å; I257-F270 HydrophobicContact CB-CE2 3.92Å; I257-F270 HydrophobicContact CB-CZ 4.07Å; I257-F270 HydrophobicContact CD1-CE1 4.26Å; I257-F270 HydrophobicContact CD1-CE2 3.95Å; I257-F270 HydrophobicContact CD1-CZ 3.39Å; I257-F270 HydrophobicContact CG1-CZ 4.33Å; I257-F270 HydrophobicContact CG2-CD2 4.41Å; I257-F270 HydrophobicContact CG2-CE1 4.29Å; I257-F270 HydrophobicContact CG2-CE2 4.02Å; I257-F270 HydrophobicContact CG2-CZ 3.98Å |
| 258 | I | 95 | Very high | 92 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 115.1 | -175.1 | -51.2 | -172.4 | 0 | 0 | 0 | 108.1 | F5 M250 E251 V265 I267 I287 I295 L306 | F5-I258 HydrophobicContact CD2-CD1 4.21Å; F5-I258 HydrophobicContact CE1-CD1 4.37Å; F5-I258 HydrophobicContact CE2-CD1 3.68Å; F5-I258 HydrophobicContact CE2-CG1 4.42Å; F5-I258 HydrophobicContact CZ-CD1 3.77Å; M250-I258 WeakPolarHBondContact CA-O 3.45Å; E251-I258 PolarHBondContact N-O 3.1Å; E251-I258 PolarHBondContact O-N 3.26Å; I258-V265 HydrophobicContact CG2-CG1 3.29Å; I258-I267 HydrophobicContact CG1-CG1 4.19Å; I258-I267 HydrophobicContact CG2-CG1 4.17Å; I258-I287 HydrophobicContact CB-CD1 3.91Å; I258-I287 HydrophobicContact CG2-CD1 3.61Å; I258-I295 HydrophobicContact CD1-CD1 3.27Å; I258-I295 HydrophobicContact CD1-CG2 4.43Å; I258-I295 HydrophobicContact CG1-CD1 4.5Å; I258-L306 HydrophobicContact CD1-CD1 4.15Å; I258-L306 HydrophobicContact CG2-CD1 4.14Å |
| 259 | A | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 132.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | W243 P247 A249 M250 L261 V265 E266 | W243-A259 HydrophobicContact CD2-CB 3.99Å; W243-A259 HydrophobicContact CE3-CB 3.72Å; W243-A259 HydrophobicContact CH2-CB 3.43Å; W243-A259 VanDerWaalsContact CH2-CB 3.43Å; W243-A259 HydrophobicContact CZ2-CB 3.7Å; W243-A259 HydrophobicContact CZ3-CB 3.44Å; W243-A259 VanDerWaalsContact CZ3-CB 3.44Å; P247-A259 HydrophobicContact CB-CB 4.08Å; P247-A259 HydrophobicContact CG-CB 4.18Å; A249-A259 WeakPolarHBondContact O-CA 3.32Å; M250-A259 HydrophobicContact CG-CB 3.91Å; A259-L261 HydrophobicContact CB-CD2 4.37Å; A259-V265 WeakPolarHBondContact O-CA 3.26Å; A259-E266 PolarHBondContact N-O 3.49Å; A259-E266 PolarHBondContact O-N 3.32Å |
| 260 | V | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 112.5 | 168.9 | 178.2 | 0 | 0 | 0 | 0 | 108.4 | V248 A249 V265 P284 I287 V297 | V248-V260 PolarHBondContact N-O 3.3Å; A249-V260 HydrophobicContact CB-CB 4.3Å; A249-V260 HydrophobicContact CB-CG2 4.45Å; A249-V260 PolarHBondContact O-N 3.45Å; V260-V265 HydrophobicContact CG2-CG2 4.42Å; V260-P284 VanDerWaalsContact CG1-C 3.42Å; V260-P284 HydrophobicContact CG1-CB 3.66Å; V260-P284 HydrophobicContact CG1-CG 3.87Å; V260-P284 WeakPolarHBondContact CG1-O 3.34Å; V260-I287 HydrophobicContact CG2-CB 3.8Å; V260-I287 HydrophobicContact CG2-CD1 4.32Å; V260-I287 HydrophobicContact CG2-CG2 4.15Å; V260-V297 HydrophobicContact CG2-CG1 4.21Å |
| 261 | L | 92.8 | Very high | 91 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -97.3 | 165.3 | 173 | -55.3 | -173.4 | 0 | 0 | 0 | 110.1 | T244 D245 P247 A259 R263 Y264 E266 | T244-L261 VanDerWaalsContact OG1-CD1 3.31Å; T244-L261 WeakPolarHBondContact OG1-CD1 3.45Å; D245-L261 HydrophobicContact CB-CB 4.48Å; D245-L261 HydrophobicContact CB-CD1 4.04Å; D245-L261 VanDerWaalsContact O-CD2 3.27Å; D245-L261 WeakPolarHBondContact O-CD2 3.48Å; P247-L261 HydrophobicContact CB-CD2 4.07Å; P247-L261 HydrophobicContact CG-CD2 3.9Å; A259-L261 HydrophobicContact CB-CD2 4.37Å; L261-R263 PolarHBondContact O-N 3.03Å; L261-Y264 CarbonylContact C-O 3.59Å; L261-Y264 WeakPolarHBondContact CA-O 3.4Å; L261-Y264 VanDerWaalsContact CB-O 3.3Å; L261-Y264 WeakPolarHBondContact CB-O 3.22Å; L261-Y264 HydrophobicContact CD1-CD2 4.18Å; L261-Y264 HydrophobicContact CD1-CE2 3.56Å; L261-Y264 PolarHBondContact N-O 3.2Å; L261-Y264 VanDerWaalsContact O-O 3.12Å; L261-E266 HydrophobicContact CD1-CB 3.95Å; L261-E266 WeakPolarHBondContact CD1-OE2 3.45Å; L261-E266 HydrophobicContact CG-CB 4.34Å | ||
| 262 | P | 87.6 | Confident | 90.5 | Very high | 60 Ų | 60 | 30.9 Ų | 30.9 | 39% | 0.39 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -56.9 | -25 | -175.8 | -28.5 | 36.4 | 0 | 0 | 0 | 115.6 | V248 | V248-P262 HydrophobicContact CG2-CG 4.37Š|
| 263 | R | 87.8 | Confident | 90.3 | Very high | 198 Ų | 198 | 35.4 Ų | 35.4 | 75% | 0.747 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -116.9 | -25.7 | -176.5 | -66.9 | -174.2 | -179.3 | -173.4 | 1.7 | 115.1 | L261 | L261-R263 PolarHBondContact O-N 3.03Š|
| 264 | Y | 92.8 | Very high | 90.3 | Very high | 53 Ų | 53 | 36.5 Ų | 36.5 | 21% | 0.208 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 173.1 | -174.3 | 53 | -91.9 | 0 | 0 | 0 | 110.2 | T244 L261 E266 I279 | T244-Y264 VanDerWaalsContact CB-OH 3.3Å; T244-Y264 WeakPolarHBondContact CB-OH 3.46Å; T244-Y264 PolarHBondContact OG1-OH 3.37Å; L261-Y264 CarbonylContact C-O 3.59Å; L261-Y264 WeakPolarHBondContact CA-O 3.4Å; L261-Y264 VanDerWaalsContact CB-O 3.3Å; L261-Y264 WeakPolarHBondContact CB-O 3.22Å; L261-Y264 HydrophobicContact CD1-CD2 4.18Å; L261-Y264 HydrophobicContact CD1-CE2 3.56Å; L261-Y264 PolarHBondContact N-O 3.2Å; L261-Y264 VanDerWaalsContact O-O 3.12Å; Y264-E266 HydrophobicContact CD2-CB 4.41Å; Y264-E266 HydrophobicContact CE2-CB 4.25Å; Y264-I279 CarbonylContact C-O 3.6Å; Y264-I279 WeakPolarHBondContact CA-O 3.4Å; Y264-I279 WeakPolarHBondContact CB-O 3.26Å |
| 265 | V | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 132.6 | 171.9 | 177 | 0 | 0 | 0 | 0 | 108.3 | I258 A259 V260 S278 I279 L281 P284 V297 L306 | I258-V265 HydrophobicContact CG2-CG1 3.29Å; A259-V265 WeakPolarHBondContact O-CA 3.26Å; V260-V265 HydrophobicContact CG2-CG2 4.42Å; V265-S278 CarbonylContact O-C 3.59Å; V265-S278 WeakPolarHBondContact O-CA 3.49Å; V265-I279 HydrophobicContact CB-CB 4.43Å; V265-I279 PolarHBondContact N-O 2.85Å; V265-I279 PolarHBondContact O-N 2.99Å; V265-L281 HydrophobicContact CG2-CD1 3.57Å; V265-L281 HydrophobicContact CG2-CG 4.35Å; V265-P284 HydrophobicContact CG2-CB 4.3Å; V265-P284 HydrophobicContact CG2-CG 4.27Å; V265-V297 HydrophobicContact CG2-CG1 3.89Å; V265-V297 HydrophobicContact CG2-CG2 4.25Å; V265-L306 HydrophobicContact CG1-CD1 4.38Å |
| 266 | E | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 130.7 | 178.5 | -165.2 | 177 | 164 | 0 | 0 | 110 | W243 T244 A259 L261 Y264 R268 L275 | W243-E266 HydrophobicContact CE3-CB 4.12Å; W243-E266 HydrophobicContact CE3-CG 4.12Å; W243-E266 HydrophobicContact CZ3-CB 4.12Å; W243-E266 HydrophobicContact CZ3-CG 4.19Å; T244-E266 WeakPolarHBondContact CB-OE2 3.49Å; T244-E266 PolarHBondContact N-OE2 2.58Å; T244-E266 VanDerWaalsContact N-OE2 3.13Å; T244-E266 PolarHBondContact OG1-OE2 3.48Å; A259-E266 PolarHBondContact N-O 3.49Å; A259-E266 PolarHBondContact O-N 3.32Å; L261-E266 HydrophobicContact CD1-CB 3.95Å; L261-E266 WeakPolarHBondContact CD1-OE2 3.45Å; L261-E266 HydrophobicContact CG-CB 4.34Å; Y264-E266 HydrophobicContact CD2-CB 4.41Å; Y264-E266 HydrophobicContact CE2-CB 4.25Å; E266-R268 HydrophobicContact CG-CG 4.4Å; E266-R268 IonicContact OE1-CZ 2.65Å; E266-R268 IonicContact OE1-NE 3.46Å; E266-R268 PolarHBondContact OE1-NE 3.26Å; E266-R268 IonicContact OE1-NH2 2.65Å; E266-R268 PolarHBondContact OE1-NH2 2.93Å; E266-L275 HydrophobicContact CG-CD1 3.58Å; E266-L275 WeakPolarHBondContact OE1-CD1 3.41Å |
| 267 | I | 94.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 127.2 | -177.8 | -60.9 | 144.3 | 0 | 0 | 0 | 108.6 | A4 F5 Y256 I258 V276 Q277 I279 | A4-I267 HydrophobicContact CB-CG2 4.36Å; F5-I267 HydrophobicContact CB-CD1 4.24Å; F5-I267 HydrophobicContact CD2-CD1 3.7Å; F5-I267 HydrophobicContact CD2-CG1 4.19Å; F5-I267 HydrophobicContact CD2-CG2 4.29Å; F5-I267 HydrophobicContact CE2-CG2 4.21Å; F5-I267 HydrophobicContact CG-CD1 4.39Å; Y256-I267 HydrophobicContact CD1-CG2 4.06Å; Y256-I267 HydrophobicContact CG-CG2 4.08Å; I258-I267 HydrophobicContact CG1-CG1 4.19Å; I258-I267 HydrophobicContact CG2-CG1 4.17Å; I267-V276 HydrophobicContact CG2-CB 4.17Å; I267-V276 HydrophobicContact CG2-CG1 4.37Å; I267-V276 WeakPolarHBondContact O-CB 3.24Å; I267-V276 PolarHBondContact O-N 3.47Å; I267-Q277 HydrophobicContact CB-CB 4.42Å; I267-Q277 HydrophobicContact CD1-CB 3.98Å; I267-Q277 HydrophobicContact CD1-CG 4.48Å; I267-Q277 PolarHBondContact N-O 3.15Å; I267-Q277 PolarHBondContact O-N 3.25Å; I267-I279 HydrophobicContact CD1-CD1 3.55Å; I267-I279 HydrophobicContact CD1-CG1 4.09Å |
| 268 | R | 93.1 | Very high | 90.7 | Very high | 34 Ų | 34 | 39.4 Ų | 39.4 | 13% | 0.128 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 166.3 | -177.7 | -67.5 | -163.6 | 168.4 | -153.1 | 11.9 | 112.5 | L241 N242 W243 Y256 I257 E266 L274 L275 | L241-R268 HydrophobicContact CD1-CB 4.26Å; L241-R268 HydrophobicContact CD2-CB 4.14Å; N242-R268 PolarHBondContact O-NH1 3.23Å; N242-R268 PolarHBondContact O-NH2 2.78Å; W243-R268 HydrophobicContact CE3-CG 4.2Å; W243-R268 HydrophobicContact CH2-CB 4.16Å; W243-R268 HydrophobicContact CH2-CG 4.26Å; W243-R268 HydrophobicContact CZ3-CB 4.04Å; W243-R268 HydrophobicContact CZ3-CG 3.64Å; Y256-R268 CarbonylContact C-O 3.49Å; Y256-R268 WeakPolarHBondContact CA-O 3.43Å; I257-R268 HydrophobicContact CG2-CB 4.15Å; I257-R268 PolarHBondContact N-O 3.47Å; I257-R268 PolarHBondContact O-N 3.1Å; E266-R268 HydrophobicContact CG-CG 4.4Å; E266-R268 IonicContact OE1-CZ 2.65Å; E266-R268 IonicContact OE1-NE 3.46Å; E266-R268 PolarHBondContact OE1-NE 3.26Å; E266-R268 IonicContact OE1-NH2 2.65Å; E266-R268 PolarHBondContact OE1-NH2 2.93Å; R268-L274 WeakPolarHBondContact CA-O 3.38Å; R268-L274 WeakPolarHBondContact CB-O 3.4Å; R268-L275 HydrophobicContact CG-CD1 4.29Å |
| 269 | T | 90.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 147.7 | 171.6 | 48 | 0 | 0 | 0 | 0 | 110 | Y256 P272 R273 L274 V276 L326 | Y256-T269 HydrophobicContact CD1-CG2 3.54Å; Y256-T269 HydrophobicContact CE1-CG2 3.61Å; T269-P272 WeakPolarHBondContact CB-O 3.19Å; T269-P272 PolarHBondContact OG1-O 2.86Å; T269-R273 WeakPolarHBondContact O-CA 3.28Å; T269-L274 PolarHBondContact N-O 2.85Å; T269-L274 PolarHBondContact OG1-N 3.34Å; T269-V276 HydrophobicContact CG2-CG2 3.84Å; T269-L326 HydrophobicContact CG2-CD1 3.79Å; T269-L326 HydrophobicContact CG2-CD2 4.08Å |
| 270 | F | 84.1 | Confident | 90.5 | Very high | 20 Ų | 20 | 48.3 Ų | 48.3 | 9% | 0.088 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -78.4 | -41.5 | 177.2 | -77.3 | -59.9 | 0 | 0 | 0 | 112.7 | L213 V228 Q237 L241 H252 I257 R273 | L213-F270 HydrophobicContact CD1-CE2 4.03Å; L213-F270 HydrophobicContact CD1-CZ 4.14Å; L213-F270 HydrophobicContact CD2-CE2 4Å; L213-F270 HydrophobicContact CD2-CZ 4.25Å; V228-F270 HydrophobicContact CG2-CD1 3.9Å; V228-F270 HydrophobicContact CG2-CE1 3.31Å; V228-F270 HydrophobicContact CG2-CE2 4.36Å; V228-F270 HydrophobicContact CG2-CZ 3.57Å; Q237-F270 VanDerWaalsContact NE2-CB 3.31Å; Q237-F270 VanDerWaalsContact NE2-CG 3.26Å; L241-F270 HydrophobicContact CD2-CD1 4.4Å; L241-F270 HydrophobicContact CD2-CE1 4.1Å; H252-F270 AromaticContact CD2-CE2 4Å; I257-F270 HydrophobicContact CB-CE2 3.92Å; I257-F270 HydrophobicContact CB-CZ 4.07Å; I257-F270 HydrophobicContact CD1-CE1 4.26Å; I257-F270 HydrophobicContact CD1-CE2 3.95Å; I257-F270 HydrophobicContact CD1-CZ 3.39Å; I257-F270 HydrophobicContact CG1-CZ 4.33Å; I257-F270 HydrophobicContact CG2-CD2 4.41Å; I257-F270 HydrophobicContact CG2-CE1 4.29Å; I257-F270 HydrophobicContact CG2-CE2 4.02Å; I257-F270 HydrophobicContact CG2-CZ 3.98Å; F270-R273 WeakPolarHBondContact O-CG 3.44Å |
| 271 | E | 81.3 | Confident | 90.3 | Very high | 124 Ų | 124 | 49.2 Ų | 49.2 | 58% | 0.579 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -145.1 | 118.1 | 178.9 | -66.5 | -174.8 | 176.2 | 0 | 0 | 108.2 | Q329 | E271-Q329 PolarHBondContact O-NE2 2.63Å; E271-Q329 PolarHBondContact O-OE1 2.92Å |
| 272 | P | 82.4 | Confident | 90 | Very high | 22 Ų | 22 | 55 Ų | 55 | 14% | 0.143 | 26% | 0.257 | C | S | . | . | S | Bend | cis | -62.8 | 153.5 | -12.3 | 30 | -36.1 | 0 | 0 | 0 | 111.4 | T269 L274 E325 L326 | T269-P272 WeakPolarHBondContact CB-O 3.19Å; T269-P272 PolarHBondContact OG1-O 2.86Å; P272-L274 HydrophobicContact CB-CD1 4.28Å; P272-L274 HydrophobicContact CB-CG 4.16Å; P272-L274 HydrophobicContact CG-CD1 3.66Å; P272-L274 HydrophobicContact CG-CG 4.02Å; P272-L274 PolarHBondContact O-N 2.75Å; P272-E325 HydrophobicContact CG-CB 4.1Å; P272-L326 HydrophobicContact CG-CB 4.18Å |
| 273 | R | 86.7 | Confident | 90.1 | Very high | 128 Ų | 128 | 62 Ų | 62 | 48% | 0.483 | 28% | 0.275 | S | S | . | . | trans | -77.1 | 92.4 | 178.4 | -70.6 | -176.7 | -64.1 | -138.9 | 2.5 | 111 | C239 T269 F270 | C239-R273 PolarHBondContact O-NH1 2.84Å; C239-R273 PolarHBondContact SG-NH1 2.87Å; T269-R273 WeakPolarHBondContact O-CA 3.28Å; F270-R273 WeakPolarHBondContact O-CG 3.44Å | ||
| 274 | L | 88.1 | Confident | 90.3 | Very high | 44 Ų | 44 | 52.7 Ų | 52.7 | 23% | 0.23 | 24% | 0.241 | C | C | . | . | trans | -123.3 | 142.4 | -177.5 | -62.5 | 175.3 | 0 | 0 | 0 | 111 | R268 T269 P272 V276 Q323 L326 | R268-L274 WeakPolarHBondContact CA-O 3.38Å; R268-L274 WeakPolarHBondContact CB-O 3.4Å; T269-L274 PolarHBondContact N-O 2.85Å; T269-L274 PolarHBondContact OG1-N 3.34Å; P272-L274 HydrophobicContact CB-CD1 4.28Å; P272-L274 HydrophobicContact CB-CG 4.16Å; P272-L274 HydrophobicContact CG-CD1 3.66Å; P272-L274 HydrophobicContact CG-CG 4.02Å; P272-L274 PolarHBondContact O-N 2.75Å; L274-V276 PolarHBondContact O-N 3.15Å; L274-Q323 HydrophobicContact CD1-CG 4.45Å; L274-L326 HydrophobicContact CD1-CB 4.44Å; L274-L326 HydrophobicContact CD1-CD2 4.19Å | ||
| 275 | L | 90.6 | Very high | 90.3 | Very high | 61 Ų | 61 | 55.4 Ų | 55.4 | 32% | 0.319 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 110.6 | 158.7 | 173.6 | 55.8 | 0 | 0 | 0 | 107.5 | E266 R268 | E266-L275 HydrophobicContact CG-CD1 3.58Å; E266-L275 WeakPolarHBondContact OE1-CD1 3.41Å; R268-L275 HydrophobicContact CG-CD1 4.29Å |
| 276 | V | 91.1 | Very high | 90.2 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -57.1 | -177.6 | 173.8 | 0 | 0 | 0 | 0 | 109.6 | H2 A4 Y256 I267 T269 L274 L326 | H2-V276 WeakPolarHBondContact CE1-CG1 3.31Å; A4-V276 HydrophobicContact CB-CG1 3.6Å; Y256-V276 HydrophobicContact CD1-CG2 4.1Å; Y256-V276 HydrophobicContact CE1-CG1 4.15Å; Y256-V276 HydrophobicContact CE1-CG2 3.84Å; I267-V276 HydrophobicContact CG2-CB 4.17Å; I267-V276 HydrophobicContact CG2-CG1 4.37Å; I267-V276 WeakPolarHBondContact O-CB 3.24Å; I267-V276 PolarHBondContact O-N 3.47Å; T269-V276 HydrophobicContact CG2-CG2 3.84Å; L274-V276 PolarHBondContact O-N 3.15Å; V276-L326 HydrophobicContact CG2-CD2 4.31Å |
| 277 | Q | 93.3 | Very high | 90.2 | Very high | 22 Ų | 22 | 58.3 Ų | 58.3 | 10% | 0.103 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 151.3 | -172.6 | -164.4 | -176.5 | 16.9 | 0 | 0 | 111 | D3 A4 F5 I267 I279 | D3-Q277 PolarHBondContact OD1-NE2 3.24Å; A4-Q277 VanDerWaalsContact N-OE1 3.16Å; F5-Q277 PolarHBondContact O-NE2 2.89Å; F5-Q277 PolarHBondContact O-OE1 2.87Å; F5-Q277 VanDerWaalsContact O-OE1 3.09Å; I267-Q277 HydrophobicContact CB-CB 4.42Å; I267-Q277 HydrophobicContact CD1-CB 3.98Å; I267-Q277 HydrophobicContact CD1-CG 4.48Å; I267-Q277 PolarHBondContact N-O 3.15Å; I267-Q277 PolarHBondContact O-N 3.25Å; Q277-I279 HydrophobicContact CG-CG1 4.12Å |
| 278 | S | 93.6 | Very high | 90 | Very high | 60 Ų | 60 | 59.4 Ų | 59.4 | 42% | 0.42 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 125.5 | 169.3 | -56.8 | 0 | 0 | 0 | 0 | 109.2 | V265 | V265-S278 CarbonylContact O-C 3.59Å; V265-S278 WeakPolarHBondContact O-CA 3.49Å |
| 279 | I | 93.7 | Very high | 89.9 | Confident | 9 Ų | 9 | 59.2 Ų | 59.2 | 5% | 0.046 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 111.3 | -173.5 | -58.2 | 176.4 | 0 | 0 | 0 | 109.7 | F5 P7 Y264 V265 I267 Q277 L281 L306 | F5-I279 HydrophobicContact CB-CD1 4.06Å; P7-I279 HydrophobicContact CB-CG2 3.78Å; P7-I279 HydrophobicContact CG-CG2 3.54Å; Y264-I279 CarbonylContact C-O 3.6Å; Y264-I279 WeakPolarHBondContact CA-O 3.4Å; Y264-I279 WeakPolarHBondContact CB-O 3.26Å; V265-I279 HydrophobicContact CB-CB 4.43Å; V265-I279 PolarHBondContact N-O 2.85Å; V265-I279 PolarHBondContact O-N 2.99Å; I267-I279 HydrophobicContact CD1-CD1 3.55Å; I267-I279 HydrophobicContact CD1-CG1 4.09Å; Q277-I279 HydrophobicContact CG-CG1 4.12Å; I279-L281 HydrophobicContact CG2-CD2 4.03Å; I279-L281 HydrophobicContact CG2-CG 4.15Å; I279-L281 PolarHBondContact O-N 3.18Å; I279-L306 HydrophobicContact CD1-CD2 4.11Å |
| 280 | E | 91.8 | Very high | 89.5 | Confident | 178 Ų | 178 | 59.6 Ų | 59.6 | 83% | 0.832 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 121.4 | 177 | -64.2 | -171.2 | 171.5 | 0 | 0 | 111.5 | ||
| 281 | L | 89.9 | Confident | 89.5 | Confident | 18 Ų | 18 | 60.4 Ų | 60.4 | 9% | 0.094 | 29% | 0.292 | C | S | . | . | trans | -129.7 | 157.4 | 177.2 | -62.1 | -178.6 | 0 | 0 | 0 | 110.1 | P7 V265 I279 R283 P284 V297 W304 | P7-L281 HydrophobicContact CB-CD2 4.03Å; V265-L281 HydrophobicContact CG2-CD1 3.57Å; V265-L281 HydrophobicContact CG2-CG 4.35Å; I279-L281 HydrophobicContact CG2-CD2 4.03Å; I279-L281 HydrophobicContact CG2-CG 4.15Å; I279-L281 PolarHBondContact O-N 3.18Å; L281-R283 PolarHBondContact O-N 2.73Å; L281-P284 HydrophobicContact CB-CB 4.21Å; L281-P284 HydrophobicContact CB-CG 4.12Å; L281-P284 HydrophobicContact CD1-CB 4.36Å; L281-P284 WeakPolarHBondContact O-CD 3.48Å; L281-V297 HydrophobicContact CD1-CB 4.05Å; L281-V297 HydrophobicContact CD1-CG1 3.7Å; L281-W304 HydrophobicContact CB-CE3 4.38Å; L281-W304 HydrophobicContact CB-CH2 4.27Å; L281-W304 HydrophobicContact CB-CZ2 4.49Å; L281-W304 HydrophobicContact CB-CZ3 4.22Å; L281-W304 HydrophobicContact CD1-CD2 4.2Å; L281-W304 HydrophobicContact CD1-CE3 3.99Å; L281-W304 HydrophobicContact CD1-CG 4.46Å; L281-W304 HydrophobicContact CD2-CD2 3.88Å; L281-W304 HydrophobicContact CD2-CE3 4.4Å; L281-W304 HydrophobicContact CD2-CG 3.91Å; L281-W304 HydrophobicContact CG-CD2 4.47Å | ||
| 282 | Q | 88 | Confident | 89.4 | Confident | 123 Ų | 123 | 59.5 Ų | 59.5 | 58% | 0.575 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -76.7 | 92.1 | -178.3 | -62.8 | -173.1 | 7.7 | 0 | 0 | 111.7 | S299 W304 | Q282-S299 WeakPolarHBondContact O-CB 3.48Å; Q282-W304 HydrophobicContact CB-CH2 3.88Å; Q282-W304 HydrophobicContact CB-CZ2 4.07Å; Q282-W304 HydrophobicContact CG-CZ2 4.45Å |
| 283 | R | 88.9 | Confident | 89.4 | Confident | 206 Ų | 206 | 62.5 Ų | 62.5 | 78% | 0.777 | 31% | 0.314 | S | S | * | . | S | Bend | trans | 51.4 | 59.6 | 177.6 | -61.2 | 179.9 | 178.3 | 165.7 | -0.5 | 112.6 | L281 S299 | L281-R283 PolarHBondContact O-N 2.73Å; R283-S299 WeakPolarHBondContact O-CB 3.36Å |
| 284 | P | 92.3 | Very high | 89.5 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.013 | 30% | 0.298 | C | S | . | . | trans | -64.5 | 145.5 | 178.5 | 33.1 | -37 | 0 | 0 | 0 | 110.1 | V260 V265 L281 V297 | V260-P284 VanDerWaalsContact CG1-C 3.42Å; V260-P284 HydrophobicContact CG1-CB 3.66Å; V260-P284 HydrophobicContact CG1-CG 3.87Å; V260-P284 WeakPolarHBondContact CG1-O 3.34Å; V265-P284 HydrophobicContact CG2-CB 4.3Å; V265-P284 HydrophobicContact CG2-CG 4.27Å; L281-P284 HydrophobicContact CB-CB 4.21Å; L281-P284 HydrophobicContact CB-CG 4.12Å; L281-P284 HydrophobicContact CD1-CB 4.36Å; L281-P284 WeakPolarHBondContact O-CD 3.48Å; P284-V297 HydrophobicContact CB-CG1 3.63Å | ||
| 285 | R | 91.8 | Very high | 89.7 | Confident | 110 Ų | 110 | 55.5 Ų | 55.5 | 42% | 0.415 | 29% | 0.287 | S | S | . | . | trans | -138.8 | -33.4 | -177.2 | -66.3 | -172.6 | 72.1 | -160.6 | -0.4 | 113.8 | A298 N300 | R285-A298 PolarHBondContact N-O 2.8Å; R285-N300 WeakPolarHBondContact CD-OD1 3.36Å; R285-N300 PolarHBondContact NH1-OD1 2.81Å | ||
| 286 | F | 92.6 | Very high | 89.8 | Confident | 40 Ų | 40 | 52.6 Ų | 52.6 | 18% | 0.175 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 145.6 | -174.6 | -49.7 | -70.1 | 0 | 0 | 0 | 109.9 | I18 D19 L21 V297 A298 | I18-F286 HydrophobicContact CG2-CD2 4.18Å; I18-F286 HydrophobicContact CG2-CE2 4.26Å; I18-F286 WeakPolarHBondContact O-CE2 3.4Å; D19-F286 WeakPolarHBondContact O-CE1 3.47Å; D19-F286 WeakPolarHBondContact O-CZ 3.49Å; L21-F286 HydrophobicContact CD1-CB 4.29Å; F286-V297 CarbonylContact O-C 3.53Å; F286-V297 WeakPolarHBondContact O-CA 3.48Å; F286-A298 HydrophobicContact CB-CB 4.47Å; F286-A298 HydrophobicContact CD2-CB 4.45Å; F286-A298 PolarHBondContact N-O 3.18Å; F286-A298 PolarHBondContact O-N 2.76Å |
| 287 | I | 94.8 | Very high | 90 | Very high | 22 Ų | 22 | 52.5 Ų | 52.5 | 11% | 0.113 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 143.8 | 171.1 | -169.9 | 165.4 | 0 | 0 | 0 | 108.6 | A249 E251 I258 V260 I295 Y296 V297 | A249-I287 HydrophobicContact CB-CG2 3.73Å; E251-I287 HydrophobicContact CB-CD1 3.59Å; E251-I287 HydrophobicContact CB-CG1 3.75Å; E251-I287 HydrophobicContact CB-CG2 4.01Å; I258-I287 HydrophobicContact CB-CD1 3.91Å; I258-I287 HydrophobicContact CG2-CD1 3.61Å; V260-I287 HydrophobicContact CG2-CB 3.8Å; V260-I287 HydrophobicContact CG2-CD1 4.32Å; V260-I287 HydrophobicContact CG2-CG2 4.15Å; I287-I295 HydrophobicContact CD1-CG2 3.91Å; I287-I295 HydrophobicContact CG1-CG2 3.85Å; I287-Y296 VanDerWaalsContact CA-O 3.3Å; I287-Y296 WeakPolarHBondContact CA-O 3.1Å; I287-V297 HydrophobicContact CD1-CG2 4.1Å; I287-V297 HydrophobicContact CG1-CG2 4.07Å |
| 288 | T | 91.8 | Very high | 90 | Very high | 22 Ų | 22 | 51.5 Ų | 51.5 | 14% | 0.135 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 142.8 | 173 | -174 | 0 | 0 | 0 | 0 | 109.6 | L21 A23 Y296 | L21-T288 HydrophobicContact CB-CG2 3.73Å; L21-T288 HydrophobicContact CD1-CG2 4.29Å; A23-T288 HydrophobicContact CB-CG2 4.4Å; T288-Y296 PolarHBondContact N-O 2.87Å; T288-Y296 PolarHBondContact O-N 3.21Å |
| 289 | S | 89.6 | Confident | 90 | Very high | 31 Ų | 31 | 48.9 Ų | 48.9 | 22% | 0.217 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 144.4 | 165 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | E251 G291 I294 | E251-S289 WeakPolarHBondContact OE1-CB 3.49Å; E251-S289 PolarHBondContact OE1-N 3.13Å; S289-G291 PolarHBondContact OG-N 2.7Å; S289-G291 VanDerWaalsContact OG-N 3.13Å; S289-G291 PolarHBondContact OG-O 3.36Å; S289-I294 CarbonylContact C-O 3.58Å; S289-I294 WeakPolarHBondContact CA-O 3.41Å; S289-I294 PolarHBondContact OG-O 2.9Å |
| 290 | G | 83.4 | Confident | 89.9 | Confident | 8 Ų | 8 | 50.6 Ų | 50.6 | 8% | 0.082 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | W24 E25 I294 | W24-G290 CarbonylContact C-O 3.56Å; W24-G290 WeakPolarHBondContact CA-O 3.49Å; E25-G290 PolarHBondContact N-O 2.84Å; G290-I294 PolarHBondContact N-O 3.36Å |
| 291 | G | 83.1 | Confident | 89.9 | Confident | 36 Ų | 36 | 45.7 Ų | 45.7 | 37% | 0.371 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 123.4 | -171.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S289 N293 I294 | S289-G291 PolarHBondContact OG-N 2.7Å; S289-G291 VanDerWaalsContact OG-N 3.13Å; S289-G291 PolarHBondContact OG-O 3.36Å; G291-N293 PolarHBondContact O-N 2.98Å; G291-I294 PolarHBondContact O-N 3.15Å; G291-I294 VanDerWaalsContact O-N 3.15Å |
| 292 | S | 79.6 | Confident | 90 | Very high | 106 Ų | 106 | 46.5 Ų | 46.5 | 74% | 0.741 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 125.8 | 179.8 | -41.6 | 0 | 0 | 0 | 0 | 110.5 | I294 | S292-I294 VanDerWaalsContact C-N 3.25Å; S292-I294 PolarHBondContact O-N 3.27Å |
| 293 | N | 82.4 | Confident | 90.3 | Very high | 84 Ų | 84 | 40.6 Ų | 40.6 | 45% | 0.449 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 15.9 | 178 | -63.3 | -25.3 | 0 | 0 | 0 | 116.4 | G291 P308 | G291-N293 PolarHBondContact O-N 2.98Å; N293-P308 HydrophobicContact CB-CG 3.86Å |
| 294 | I | 88.4 | Confident | 90.5 | Very high | 26 Ų | 26 | 31.9 Ų | 31.9 | 13% | 0.133 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 108.6 | 177.2 | -53.3 | -176.7 | 0 | 0 | 0 | 109.9 | E25 S289 G290 G291 S292 Y296 | E25-I294 WeakPolarHBondContact O-CD1 3.25Å; S289-I294 CarbonylContact C-O 3.58Å; S289-I294 WeakPolarHBondContact CA-O 3.41Å; S289-I294 PolarHBondContact OG-O 2.9Å; G290-I294 PolarHBondContact N-O 3.36Å; G291-I294 PolarHBondContact O-N 3.15Å; G291-I294 VanDerWaalsContact O-N 3.15Å; S292-I294 VanDerWaalsContact C-N 3.25Å; S292-I294 PolarHBondContact O-N 3.27Å; I294-Y296 HydrophobicContact CG2-CD2 4.12Å; I294-Y296 HydrophobicContact CG2-CE2 3.36Å |
| 295 | I | 92.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 130.1 | 179.6 | -54 | 174.9 | 0 | 0 | 0 | 108.9 | F5 Q253 I258 I287 R305 L306 | F5-I295 HydrophobicContact CE1-CD1 3.91Å; F5-I295 HydrophobicContact CZ-CD1 3.99Å; Q253-I295 HydrophobicContact CB-CD1 3.56Å; Q253-I295 HydrophobicContact CG-CD1 3.85Å; I258-I295 HydrophobicContact CD1-CD1 3.27Å; I258-I295 HydrophobicContact CD1-CG2 4.43Å; I258-I295 HydrophobicContact CG1-CD1 4.5Å; I287-I295 HydrophobicContact CD1-CG2 3.91Å; I287-I295 HydrophobicContact CG1-CG2 3.85Å; I295-R305 WeakPolarHBondContact O-CA 3.45Å; I295-L306 HydrophobicContact CB-CB 4.29Å; I295-L306 HydrophobicContact CG2-CD1 4.18Å; I295-L306 PolarHBondContact O-N 2.83Å |
| 296 | Y | 94 | Very high | 90.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 136.5 | 174 | -64.3 | -78.1 | 0 | 0 | 0 | 110.1 | I10 A23 L28 I42 I287 T288 I294 V303 W304 R305 | I10-Y296 HydrophobicContact CG1-CE1 4.25Å; A23-Y296 HydrophobicContact CB-CD2 3.68Å; A23-Y296 HydrophobicContact CB-CE2 3.72Å; L28-Y296 HydrophobicContact CD1-CD1 4.49Å; L28-Y296 HydrophobicContact CD1-CD2 3.98Å; L28-Y296 HydrophobicContact CD1-CE2 4.37Å; L28-Y296 HydrophobicContact CD1-CG 4.05Å; I42-Y296 HydrophobicContact CD1-CE1 3.53Å; I42-Y296 VanDerWaalsContact CD1-OH 3.28Å; I42-Y296 WeakPolarHBondContact CD1-OH 3.39Å; I287-Y296 VanDerWaalsContact CA-O 3.3Å; I287-Y296 WeakPolarHBondContact CA-O 3.1Å; T288-Y296 PolarHBondContact N-O 2.87Å; T288-Y296 PolarHBondContact O-N 3.21Å; I294-Y296 HydrophobicContact CG2-CD2 4.12Å; I294-Y296 HydrophobicContact CG2-CE2 3.36Å; Y296-V303 HydrophobicContact CD1-CG1 4.21Å; Y296-W304 CarbonylContact C-O 3.56Å; Y296-W304 VanDerWaalsContact CA-O 3.31Å; Y296-W304 WeakPolarHBondContact CA-O 3.39Å; Y296-R305 HydrophobicContact CD1-CB 3.87Å; Y296-R305 HydrophobicContact CD1-CG 4.17Å; Y296-R305 HydrophobicContact CE1-CB 3.68Å; Y296-R305 HydrophobicContact CE1-CG 3.76Å |
| 297 | V | 94.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 137.3 | 171.2 | 179.6 | 0 | 0 | 0 | 0 | 107.9 | V260 V265 L281 P284 F286 I287 W304 L306 | V260-V297 HydrophobicContact CG2-CG1 4.21Å; V265-V297 HydrophobicContact CG2-CG1 3.89Å; V265-V297 HydrophobicContact CG2-CG2 4.25Å; L281-V297 HydrophobicContact CD1-CB 4.05Å; L281-V297 HydrophobicContact CD1-CG1 3.7Å; P284-V297 HydrophobicContact CB-CG1 3.63Å; F286-V297 CarbonylContact O-C 3.53Å; F286-V297 WeakPolarHBondContact O-CA 3.48Å; I287-V297 HydrophobicContact CD1-CG2 4.1Å; I287-V297 HydrophobicContact CG1-CG2 4.07Å; V297-W304 PolarHBondContact N-O 3.1Å; V297-W304 PolarHBondContact O-N 2.89Å; V297-L306 HydrophobicContact CG2-CD1 3.75Å; V297-L306 HydrophobicContact CG2-CG 4.01Å |
| 298 | A | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 151.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I18 L21 R285 F286 F302 V303 | I18-A298 HydrophobicContact CD1-CB 4.3Å; L21-A298 HydrophobicContact CD1-CB 3.42Å; L21-A298 VanDerWaalsContact CD1-CB 3.42Å; L21-A298 HydrophobicContact CG-CB 4.35Å; R285-A298 PolarHBondContact N-O 2.8Å; F286-A298 HydrophobicContact CB-CB 4.47Å; F286-A298 HydrophobicContact CD2-CB 4.45Å; F286-A298 PolarHBondContact N-O 3.18Å; F286-A298 PolarHBondContact O-N 2.76Å; A298-F302 CarbonylContact C-O 3.54Å; A298-F302 WeakPolarHBondContact CA-O 3.37Å; A298-F302 VanDerWaalsContact CB-O 3.32Å; A298-F302 WeakPolarHBondContact CB-O 3.34Å; A298-V303 HydrophobicContact CB-CB 4.4Å; A298-V303 HydrophobicContact CB-CG1 4.42Å; A298-V303 HydrophobicContact CB-CG2 3.9Å |
| 299 | S | 93.3 | Very high | 90 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | trans | -99.1 | -164.8 | 162.9 | 70.6 | 0 | 0 | 0 | 0 | 109.5 | Q282 R283 H301 F302 | Q282-S299 WeakPolarHBondContact O-CB 3.48Å; R283-S299 WeakPolarHBondContact O-CB 3.36Å; S299-H301 PolarHBondContact O-N 2.86Å; S299-H301 PolarHBondContact OG-N 3.32Å; S299-F302 PolarHBondContact N-O 2.99Å; S299-F302 WeakPolarHBondContact OG-CB 3.45Å; S299-F302 PolarHBondContact OG-N 3.21Å; S299-F302 PolarHBondContact OG-O 2.84Å | ||
| 300 | N | 91.1 | Very high | 89.9 | Confident | 44 Ų | 44 | 30.9 Ų | 30.9 | 24% | 0.235 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -66 | -25 | 175 | -69.2 | -16.1 | 0 | 0 | 0 | 113.6 | Q17 I18 R285 | Q17-N300 WeakPolarHBondContact CA-O 3.5Å; Q17-N300 HydrophobicContact CG-CB 4.2Å; I18-N300 PolarHBondContact N-O 3.19Å; R285-N300 WeakPolarHBondContact CD-OD1 3.36Å; R285-N300 PolarHBondContact NH1-OD1 2.81Å |
| 301 | H | 90.9 | Very high | 90 | Very high | 76 Ų | 76 | 33.1 Ų | 33.1 | 35% | 0.352 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -137.4 | -3.4 | -171 | -62.5 | -67.3 | 0 | 0 | 0 | 114.6 | K13 L14 S299 | K13-H301 PolarHBondContact N-O 2.71Å; L14-H301 PolarHBondContact N-O 2.94Å; L14-H301 PolarHBondContact O-ND1 3.37Å; S299-H301 PolarHBondContact O-N 2.86Å; S299-H301 PolarHBondContact OG-N 3.32Å |
| 302 | F | 92.8 | Very high | 90.2 | Very high | 34 Ų | 34 | 33.4 Ų | 33.4 | 15% | 0.149 | 19% | 0.191 | C | C | . | . | trans | -129.5 | 144.9 | -178.1 | -63.7 | -97 | 0 | 0 | 0 | 109.8 | L11 E12 K13 A298 S299 W304 | L11-F302 CarbonylContact O-C 3.52Å; L11-F302 VanDerWaalsContact O-CA 3.26Å; L11-F302 WeakPolarHBondContact O-CA 3.37Å; E12-F302 HydrophobicContact CB-CD1 4.11Å; E12-F302 HydrophobicContact CB-CE1 4.04Å; E12-F302 HydrophobicContact CG-CD1 4.24Å; E12-F302 HydrophobicContact CG-CE1 4.4Å; K13-F302 HydrophobicContact CG-CE1 3.96Å; K13-F302 HydrophobicContact CG-CZ 3.78Å; A298-F302 CarbonylContact C-O 3.54Å; A298-F302 WeakPolarHBondContact CA-O 3.37Å; A298-F302 VanDerWaalsContact CB-O 3.32Å; A298-F302 WeakPolarHBondContact CB-O 3.34Å; S299-F302 PolarHBondContact N-O 2.99Å; S299-F302 WeakPolarHBondContact OG-CB 3.45Å; S299-F302 PolarHBondContact OG-N 3.21Å; S299-F302 PolarHBondContact OG-O 2.84Å; F302-W304 HydrophobicContact CB-CD2 4.46Å; F302-W304 HydrophobicContact CB-CE3 4.28Å; F302-W304 HydrophobicContact CB-CH2 3.33Å; F302-W304 HydrophobicContact CB-CZ2 3.5Å; F302-W304 VanDerWaalsContact CB-CZ2 3.5Å; F302-W304 HydrophobicContact CB-CZ3 3.75Å; F302-W304 HydrophobicContact CD1-CZ2 4.3Å; F302-W304 HydrophobicContact CD2-CH2 4.47Å; F302-W304 HydrophobicContact CG-CH2 4.01Å; F302-W304 AromaticContact CG-CZ2 3.95Å; F302-W304 HydrophobicContact CG-CZ2 3.95Å | ||
| 303 | V | 93.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 128.8 | 170.6 | -174 | 0 | 0 | 0 | 0 | 108.4 | I10 L11 I18 L28 Y296 A298 | I10-V303 PolarHBondContact N-O 2.83Å; L11-V303 HydrophobicContact CB-CB 3.99Å; L11-V303 HydrophobicContact CB-CG2 4.08Å; L11-V303 HydrophobicContact CD1-CB 4.3Å; L11-V303 HydrophobicContact CD1-CG2 3.88Å; L11-V303 HydrophobicContact CG-CB 4.32Å; L11-V303 HydrophobicContact CG-CG2 4.38Å; L11-V303 PolarHBondContact N-O 3.18Å; L11-V303 VanDerWaalsContact N-O 3.07Å; L11-V303 PolarHBondContact O-N 3.19Å; I18-V303 HydrophobicContact CD1-CG2 3.48Å; I18-V303 VanDerWaalsContact CD1-CG2 3.48Å; L28-V303 HydrophobicContact CD2-CG1 3.91Å; Y296-V303 HydrophobicContact CD1-CG1 4.21Å; A298-V303 HydrophobicContact CB-CB 4.4Å; A298-V303 HydrophobicContact CB-CG1 4.42Å; A298-V303 HydrophobicContact CB-CG2 3.9Å |
| 304 | W | 93.8 | Very high | 90.9 | Very high | 22 Ų | 22 | 27.3 Ų | 27.3 | 8% | 0.083 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 147.1 | 173.3 | -58.9 | -90.4 | 0 | 0 | 0 | 109.7 | V8 L281 Q282 Y296 V297 F302 | V8-W304 CarbonylContact O-C 3.55Å; V8-W304 VanDerWaalsContact O-CA 3.27Å; V8-W304 WeakPolarHBondContact O-CA 3.4Å; L281-W304 HydrophobicContact CB-CE3 4.38Å; L281-W304 HydrophobicContact CB-CH2 4.27Å; L281-W304 HydrophobicContact CB-CZ2 4.49Å; L281-W304 HydrophobicContact CB-CZ3 4.22Å; L281-W304 HydrophobicContact CD1-CD2 4.2Å; L281-W304 HydrophobicContact CD1-CE3 3.99Å; L281-W304 HydrophobicContact CD1-CG 4.46Å; L281-W304 HydrophobicContact CD2-CD2 3.88Å; L281-W304 HydrophobicContact CD2-CE3 4.4Å; L281-W304 HydrophobicContact CD2-CG 3.91Å; L281-W304 HydrophobicContact CG-CD2 4.47Å; Q282-W304 HydrophobicContact CB-CH2 3.88Å; Q282-W304 HydrophobicContact CB-CZ2 4.07Å; Q282-W304 HydrophobicContact CG-CZ2 4.45Å; Y296-W304 CarbonylContact C-O 3.56Å; Y296-W304 VanDerWaalsContact CA-O 3.31Å; Y296-W304 WeakPolarHBondContact CA-O 3.39Å; V297-W304 PolarHBondContact N-O 3.1Å; V297-W304 PolarHBondContact O-N 2.89Å; F302-W304 HydrophobicContact CB-CD2 4.46Å; F302-W304 HydrophobicContact CB-CE3 4.28Å; F302-W304 HydrophobicContact CB-CH2 3.33Å; F302-W304 HydrophobicContact CB-CZ2 3.5Å; F302-W304 VanDerWaalsContact CB-CZ2 3.5Å; F302-W304 HydrophobicContact CB-CZ3 3.75Å; F302-W304 HydrophobicContact CD1-CZ2 4.3Å; F302-W304 HydrophobicContact CD2-CH2 4.47Å; F302-W304 HydrophobicContact CG-CH2 4.01Å; F302-W304 AromaticContact CG-CZ2 3.95Å; F302-W304 HydrophobicContact CG-CZ2 3.95Å |
| 305 | R | 92.6 | Very high | 90.8 | Very high | 37 Ų | 37 | 26.1 Ų | 26.1 | 14% | 0.14 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 129.3 | 165.9 | -175.3 | 174.9 | 172.9 | 169.6 | 1.8 | 108.3 | V8 I10 I295 Y296 | V8-R305 PolarHBondContact N-O 3.36Å; V8-R305 PolarHBondContact O-N 3.5Å; I10-R305 HydrophobicContact CD1-CB 3.79Å; I10-R305 HydrophobicContact CG1-CB 3.6Å; I295-R305 WeakPolarHBondContact O-CA 3.45Å; Y296-R305 HydrophobicContact CD1-CB 3.87Å; Y296-R305 HydrophobicContact CD1-CG 4.17Å; Y296-R305 HydrophobicContact CE1-CB 3.68Å; Y296-R305 HydrophobicContact CE1-CG 3.76Å |
| 306 | L | 92.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 109.3 | 171.4 | -58.7 | -175.7 | 0 | 0 | 0 | 108.1 | F5 P7 I258 V265 I279 I295 V297 | F5-L306 HydrophobicContact CB-CB 4.1Å; F5-L306 HydrophobicContact CD1-CB 3.81Å; F5-L306 HydrophobicContact CG-CB 4.16Å; P7-L306 HydrophobicContact CB-CD2 4.07Å; I258-L306 HydrophobicContact CD1-CD1 4.15Å; I258-L306 HydrophobicContact CG2-CD1 4.14Å; V265-L306 HydrophobicContact CG1-CD1 4.38Å; I279-L306 HydrophobicContact CD1-CD2 4.11Å; I295-L306 HydrophobicContact CB-CB 4.29Å; I295-L306 HydrophobicContact CG2-CD1 4.18Å; I295-L306 PolarHBondContact O-N 2.83Å; V297-L306 HydrophobicContact CG2-CD1 3.75Å; V297-L306 HydrophobicContact CG2-CG 4.01Å |
| 307 | I | 89.8 | Confident | 90.2 | Very high | 19 Ų | 19 | 34.8 Ų | 34.8 | 10% | 0.097 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 122.5 | 178.3 | -54.1 | 178.6 | 0 | 0 | 0 | 108.3 | F5 E6 V8 N60 F62 V309 | F5-I307 CarbonylContact C-O 3.58Å; F5-I307 VanDerWaalsContact CA-O 3.24Å; F5-I307 WeakPolarHBondContact CA-O 3.3Å; E6-I307 PolarHBondContact N-O 3.29Å; E6-I307 PolarHBondContact O-N 2.56Å; V8-I307 HydrophobicContact CB-CD1 4.17Å; V8-I307 HydrophobicContact CG2-CD1 3.44Å; V8-I307 VanDerWaalsContact CG2-CD1 3.44Å; V8-I307 HydrophobicContact CG2-CG1 4.12Å; N60-I307 HydrophobicContact CB-CD1 3.44Å; N60-I307 VanDerWaalsContact CB-CD1 3.44Å; N60-I307 VanDerWaalsContact CG-CD1 3.4Å; F62-I307 HydrophobicContact CE2-CD1 3.6Å; F62-I307 HydrophobicContact CE2-CG1 4.11Å; F62-I307 HydrophobicContact CZ-CD1 3.65Å; F62-I307 HydrophobicContact CZ-CG1 4Å; I307-V309 PolarHBondContact O-N 2.77Å |
| 308 | P | 88.6 | Confident | 89.8 | Confident | 38 Ų | 38 | 34.9 Ų | 34.9 | 25% | 0.247 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 130.4 | 175.1 | 25.2 | -30.4 | 0 | 0 | 0 | 110.3 | A4 F5 N293 | A4-P308 WeakPolarHBondContact O-CA 3.09Å; F5-P308 HydrophobicContact CD1-CB 4.17Å; F5-P308 HydrophobicContact CE1-CB 3.93Å; N293-P308 HydrophobicContact CB-CG 3.86Å |
| 309 | V | 89.6 | Confident | 89.5 | Confident | 27 Ų | 27 | 36.9 Ų | 36.9 | 16% | 0.164 | 20% | 0.197 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 141 | 170.7 | 177 | 0 | 0 | 0 | 0 | 108.2 | D3 A4 I307 M311 T313 Q314 | D3-V309 HydrophobicContact CB-CG2 4.2Å; D3-V309 WeakPolarHBondContact O-CB 3.48Å; D3-V309 WeakPolarHBondContact O-CG2 3.47Å; A4-V309 PolarHBondContact O-N 3.03Å; I307-V309 PolarHBondContact O-N 2.77Å; V309-M311 PolarHBondContact O-N 2.89Å; V309-T313 HydrophobicContact CG1-CG2 4.38Å; V309-Q314 HydrophobicContact CB-CG 4.18Å; V309-Q314 HydrophobicContact CG1-CG 4.11Å; V309-Q314 PolarHBondContact O-NE2 3.33Å |
| 310 | P | 87.1 | Confident | 89.1 | Confident | 86 Ų | 86 | 44 Ų | 44 | 56% | 0.558 | 23% | 0.23 | S | C | * | . | P | Polyproline II helix | trans | -53.9 | 132.1 | 178.4 | -27.6 | 35.4 | 0 | 0 | 0 | 112.7 | A312 T313 Q314 | P310-A312 PolarHBondContact O-N 2.8Å; P310-A312 VanDerWaalsContact O-N 3.1Å; P310-T313 WeakPolarHBondContact O-CB 3.42Å; P310-T313 PolarHBondContact O-N 3.16Å; P310-Q314 PolarHBondContact O-N 2.82Å |
| 311 | M | 86.4 | Confident | 88.8 | Confident | 54 Ų | 54 | 45.3 Ų | 45.3 | 27% | 0.266 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -56.5 | -31.7 | -176.8 | -61.7 | -174.4 | -154.5 | 0 | 0 | 112.7 | V309 T313 Q314 I315 M333 K334 | V309-M311 PolarHBondContact O-N 2.89Å; M311-T313 VanDerWaalsContact C-N 3.33Å; M311-T313 PolarHBondContact O-N 3.48Å; M311-Q314 PolarHBondContact O-N 2.81Å; M311-I315 WeakPolarHBondContact O-CB 3.49Å; M311-I315 VanDerWaalsContact O-CG1 3.23Å; M311-I315 WeakPolarHBondContact O-CG1 3.32Å; M311-I315 PolarHBondContact O-N 3.39Å; M311-M333 HydrophobicContact SD-CB 4.37Å; M311-K334 HydrophobicContact SD-CB 4.08Å |
| 312 | A | 85.8 | Confident | 88.5 | Confident | 42 Ų | 42 | 47.2 Ų | 47.2 | 35% | 0.347 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.3 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P310 Q316 | P310-A312 PolarHBondContact O-N 2.8Å; P310-A312 VanDerWaalsContact O-N 3.1Å; A312-Q316 WeakPolarHBondContact O-CG 3.41Å; A312-Q316 PolarHBondContact O-N 2.94Å; A312-Q316 VanDerWaalsContact O-N 3.16Å |
| 313 | T | 87.3 | Confident | 88.2 | Confident | 58 Ų | 58 | 49.1 Ų | 49.1 | 36% | 0.356 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.6 | -42.2 | 176.5 | -48.3 | 0 | 0 | 0 | 0 | 110.8 | V309 P310 M311 I315 Q316 Q317 | V309-T313 HydrophobicContact CG1-CG2 4.38Å; P310-T313 WeakPolarHBondContact O-CB 3.42Å; P310-T313 PolarHBondContact O-N 3.16Å; M311-T313 VanDerWaalsContact C-N 3.33Å; M311-T313 PolarHBondContact O-N 3.48Å; T313-I315 PolarHBondContact O-N 3.18Å; T313-Q316 PolarHBondContact O-N 2.82Å; T313-Q317 WeakPolarHBondContact O-CG 3.46Å; T313-Q317 PolarHBondContact O-N 3.03Å |
| 314 | Q | 89.4 | Confident | 88 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.019 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 176.7 | -59.9 | -171.6 | 31.6 | 0 | 0 | 111.4 | H2 A4 Y256 V309 P310 M311 Q316 Q317 L318 L330 | H2-Q314 PolarHBondContact NE2-OE1 3.25Å; A4-Q314 PolarHBondContact O-NE2 2.87Å; Y256-Q314 PolarHBondContact OH-OE1 2.85Å; V309-Q314 HydrophobicContact CB-CG 4.18Å; V309-Q314 HydrophobicContact CG1-CG 4.11Å; V309-Q314 PolarHBondContact O-NE2 3.33Å; P310-Q314 PolarHBondContact O-N 2.82Å; M311-Q314 PolarHBondContact O-N 2.81Å; Q314-Q316 VanDerWaalsContact C-N 3.35Å; Q314-Q316 PolarHBondContact O-N 2.81Å; Q314-Q317 PolarHBondContact O-N 3.27Å; Q314-L318 WeakPolarHBondContact O-CB 3.49Å; Q314-L318 WeakPolarHBondContact O-CD1 3.41Å; Q314-L318 WeakPolarHBondContact O-CG 3.36Å; Q314-L318 PolarHBondContact O-N 2.67Å; Q314-L330 HydrophobicContact CB-CD1 3.78Å |
| 315 | I | 87.4 | Confident | 87.6 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 177.3 | -69.1 | 164.1 | 0 | 0 | 0 | 110.8 | M311 T313 L318 L319 A327 L330 A331 I348 | M311-I315 WeakPolarHBondContact O-CB 3.49Å; M311-I315 VanDerWaalsContact O-CG1 3.23Å; M311-I315 WeakPolarHBondContact O-CG1 3.32Å; M311-I315 PolarHBondContact O-N 3.39Å; T313-I315 PolarHBondContact O-N 3.18Å; I315-L318 PolarHBondContact O-N 3.42Å; I315-L319 HydrophobicContact CG2-CD1 4.01Å; I315-L319 HydrophobicContact CG2-CG 4.31Å; I315-L319 WeakPolarHBondContact O-CB 3.23Å; I315-L319 VanDerWaalsContact O-CG 3.23Å; I315-L319 WeakPolarHBondContact O-CG 3.46Å; I315-L319 PolarHBondContact O-N 3.41Å; I315-A327 HydrophobicContact CG2-CB 4.46Å; I315-L330 HydrophobicContact CD1-CB 4.22Å; I315-L330 HydrophobicContact CG1-CB 3.89Å; I315-A331 HydrophobicContact CD1-CB 4.09Å; I315-I348 HydrophobicContact CG2-CD1 3.88Å |
| 316 | Q | 86.3 | Confident | 87.2 | Confident | 127 Ų | 127 | 51.7 Ų | 51.7 | 59% | 0.593 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62.2 | -44.3 | 177.7 | -74.4 | -178.9 | -13.1 | 0 | 0 | 112.5 | A312 T313 Q314 L319 Q320 | A312-Q316 WeakPolarHBondContact O-CG 3.41Å; A312-Q316 PolarHBondContact O-N 2.94Å; A312-Q316 VanDerWaalsContact O-N 3.16Å; T313-Q316 PolarHBondContact O-N 2.82Å; Q314-Q316 VanDerWaalsContact C-N 3.35Å; Q314-Q316 PolarHBondContact O-N 2.81Å; Q316-L319 PolarHBondContact O-N 2.93Å; Q316-Q320 WeakPolarHBondContact O-CG 3.47Å; Q316-Q320 PolarHBondContact O-N 3.44Å |
| 317 | Q | 87.1 | Confident | 87 | Confident | 56 Ų | 56 | 51.7 Ų | 51.7 | 26% | 0.262 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 175.8 | -70 | 176.7 | -14.2 | 0 | 0 | 111.3 | H2 T313 Q314 L319 Q320 D321 | H2-Q317 HydrophobicContact CB-CB 3.81Å; T313-Q317 WeakPolarHBondContact O-CG 3.46Å; T313-Q317 PolarHBondContact O-N 3.03Å; Q314-Q317 PolarHBondContact O-N 3.27Å; Q317-L319 VanDerWaalsContact C-N 3.33Å; Q317-L319 PolarHBondContact O-N 3.25Å; Q317-Q320 WeakPolarHBondContact O-CB 3.23Å; Q317-Q320 PolarHBondContact O-N 3.06Å; Q317-D321 PolarHBondContact O-N 2.96Å |
| 318 | L | 87.5 | Confident | 86.9 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.2 | -37 | 177.5 | -73.9 | 166.4 | 0 | 0 | 0 | 113 | H2 Q314 I315 D321 K322 Q323 L326 A327 L330 | H2-L318 WeakPolarHBondContact ND1-CD2 3.41Å; Q314-L318 WeakPolarHBondContact O-CB 3.49Å; Q314-L318 WeakPolarHBondContact O-CD1 3.41Å; Q314-L318 WeakPolarHBondContact O-CG 3.36Å; Q314-L318 PolarHBondContact O-N 2.67Å; I315-L318 PolarHBondContact O-N 3.42Å; L318-D321 CarbonylContact O-C 3.57Å; L318-D321 PolarHBondContact O-N 3.48Å; L318-K322 PolarHBondContact O-N 3.22Å; L318-Q323 HydrophobicContact CB-CB 4.47Å; L318-Q323 HydrophobicContact CD2-CB 3.62Å; L318-Q323 HydrophobicContact CD2-CG 4.37Å; L318-Q323 PolarHBondContact O-N 2.82Å; L318-L326 HydrophobicContact CD1-CB 4.27Å; L318-L326 HydrophobicContact CD1-CD2 4.25Å; L318-L326 HydrophobicContact CD1-CG 3.86Å; L318-L326 HydrophobicContact CD2-CB 4.27Å; L318-L326 HydrophobicContact CD2-CD2 3.91Å; L318-L326 HydrophobicContact CD2-CG 4.21Å; L318-A327 HydrophobicContact CB-CB 3.94Å; L318-A327 HydrophobicContact CD1-CB 4.3Å; L318-L330 HydrophobicContact CD1-CD1 3.46Å; L318-L330 VanDerWaalsContact CD1-CD1 3.46Å; L318-L330 HydrophobicContact CD1-CG 4.5Å |
| 319 | L | 86.5 | Confident | 86.7 | Confident | 41 Ų | 41 | 52.8 Ų | 52.8 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.7 | -38.2 | 175 | -73.2 | 175.4 | 0 | 0 | 0 | 112 | I315 Q316 Q317 K322 F324 I348 L351 | I315-L319 HydrophobicContact CG2-CD1 4.01Å; I315-L319 HydrophobicContact CG2-CG 4.31Å; I315-L319 WeakPolarHBondContact O-CB 3.23Å; I315-L319 VanDerWaalsContact O-CG 3.23Å; I315-L319 WeakPolarHBondContact O-CG 3.46Å; I315-L319 PolarHBondContact O-N 3.41Å; Q316-L319 PolarHBondContact O-N 2.93Å; Q317-L319 VanDerWaalsContact C-N 3.33Å; Q317-L319 PolarHBondContact O-N 3.25Å; L319-K322 PolarHBondContact O-N 3.48Å; L319-F324 HydrophobicContact CD2-CD1 3.66Å; L319-F324 HydrophobicContact CD2-CE1 3.65Å; L319-I348 HydrophobicContact CD1-CG1 4.42Å; L319-I348 HydrophobicContact CD2-CG1 4.2Å; L319-I348 HydrophobicContact CD2-CG2 4.07Å; L319-L351 HydrophobicContact CD2-CD1 4.01Å |
| 320 | Q | 85.3 | Confident | 86.5 | Confident | 155 Ų | 155 | 51.6 Ų | 51.6 | 72% | 0.724 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -66.5 | -41.5 | 174 | -68.3 | 174.7 | 9.4 | 0 | 0 | 111.5 | Q316 Q317 K322 | Q316-Q320 WeakPolarHBondContact O-CG 3.47Å; Q316-Q320 PolarHBondContact O-N 3.44Å; Q317-Q320 WeakPolarHBondContact O-CB 3.23Å; Q317-Q320 PolarHBondContact O-N 3.06Å; Q320-K322 PolarHBondContact O-N 3.07Å |
| 321 | D | 84.5 | Confident | 86.5 | Confident | 72 Ų | 72 | 47.6 Ų | 47.6 | 39% | 0.385 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -0.6 | 177.1 | -79.1 | -2.9 | 0 | 0 | 0 | 113.8 | M1 Q317 L318 Q323 | M1-D321 PolarHBondContact N-OD2 2.88Å; Q317-D321 PolarHBondContact O-N 2.96Å; L318-D321 CarbonylContact O-C 3.57Å; L318-D321 PolarHBondContact O-N 3.48Å; D321-Q323 HydrophobicContact CB-CG 4.17Å; D321-Q323 PolarHBondContact O-N 3.07Å |
| 322 | K | 85.5 | Confident | 86.4 | Confident | 117 Ų | 117 | 49.9 Ų | 49.9 | 51% | 0.509 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 26.4 | -177.9 | -59.2 | 170.2 | 176.9 | 177.7 | 0 | 113.9 | L318 L319 Q320 F324 | L318-K322 PolarHBondContact O-N 3.22Å; L319-K322 PolarHBondContact O-N 3.48Å; Q320-K322 PolarHBondContact O-N 3.07Å; K322-F324 HydrophobicContact CB-CE2 3.83Å; K322-F324 HydrophobicContact CB-CZ 4.39Å; K322-F324 HydrophobicContact CG-CE2 4.36Å; K322-F324 VanDerWaalsContact O-CD2 3.25Å; K322-F324 WeakPolarHBondContact O-CD2 3.49Å; K322-F324 WeakPolarHBondContact O-CE2 3.48Å; K322-F324 PolarHBondContact O-N 3.44Å |
| 323 | Q | 86.5 | Confident | 86.2 | Confident | 74 Ų | 74 | 51.4 Ų | 51.4 | 35% | 0.346 | 25% | 0.248 | S | C | . | . | trans | -93.8 | 68.8 | 177.3 | -64.4 | -60.7 | -30.3 | 0 | 0 | 110.8 | L274 L318 D321 E325 A327 | L274-Q323 HydrophobicContact CD1-CG 4.45Å; L318-Q323 HydrophobicContact CB-CB 4.47Å; L318-Q323 HydrophobicContact CD2-CB 3.62Å; L318-Q323 HydrophobicContact CD2-CG 4.37Å; L318-Q323 PolarHBondContact O-N 2.82Å; D321-Q323 HydrophobicContact CB-CG 4.17Å; D321-Q323 PolarHBondContact O-N 3.07Å; Q323-E325 PolarHBondContact O-N 3.36Å; Q323-A327 PolarHBondContact O-N 2.88Å | ||
| 324 | F | 87.7 | Confident | 85.9 | Confident | 14 Ų | 14 | 50.8 Ų | 50.8 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.7 | -32.9 | -171.3 | -60 | -81.4 | 0 | 0 | 0 | 114.3 | L319 K322 A327 L328 I348 L351 Y352 N355 | L319-F324 HydrophobicContact CD2-CD1 3.66Å; L319-F324 HydrophobicContact CD2-CE1 3.65Å; K322-F324 HydrophobicContact CB-CE2 3.83Å; K322-F324 HydrophobicContact CB-CZ 4.39Å; K322-F324 HydrophobicContact CG-CE2 4.36Å; K322-F324 VanDerWaalsContact O-CD2 3.25Å; K322-F324 WeakPolarHBondContact O-CD2 3.49Å; K322-F324 WeakPolarHBondContact O-CE2 3.48Å; K322-F324 PolarHBondContact O-N 3.44Å; F324-A327 PolarHBondContact O-N 3.16Å; F324-L328 VanDerWaalsContact O-CG 3.29Å; F324-L328 WeakPolarHBondContact O-CG 3.36Å; F324-L328 PolarHBondContact O-N 2.84Å; F324-I348 HydrophobicContact CD1-CG2 4.28Å; F324-L351 HydrophobicContact CD1-CB 4.18Å; F324-L351 HydrophobicContact CE1-CB 3.55Å; F324-L351 HydrophobicContact CE1-CD1 4.49Å; F324-L351 HydrophobicContact CZ-CB 4.3Å; F324-Y352 HydrophobicContact CB-CD2 3.52Å; F324-Y352 HydrophobicContact CB-CE2 4.37Å; F324-Y352 HydrophobicContact CB-CG 3.83Å; F324-Y352 AromaticContact CD2-CD2 3.72Å; F324-Y352 HydrophobicContact CD2-CD2 3.72Å; F324-Y352 AromaticContact CG-CD2 3.8Å; F324-Y352 HydrophobicContact CG-CD2 3.8Å; F324-Y352 HydrophobicContact CG-CG 4.22Å; F324-N355 HydrophobicContact CD2-CB 4.2Å; F324-N355 HydrophobicContact CE2-CB 3.47Å; F324-N355 VanDerWaalsContact CE2-CB 3.47Å; F324-N355 VanDerWaalsContact CE2-CG 3.48Å; F324-N355 HydrophobicContact CZ-CB 4Å |
| 325 | E | 85.8 | Confident | 85.2 | Confident | 97 Ų | 97 | 58.2 Ų | 58.2 | 45% | 0.453 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.1 | -45.5 | -177.5 | -65.9 | -178.6 | 166.3 | 0 | 0 | 111.7 | P272 Q323 L328 Q329 Y352 | P272-E325 HydrophobicContact CG-CB 4.1Å; Q323-E325 PolarHBondContact O-N 3.36Å; E325-L328 PolarHBondContact O-N 3.4Å; E325-Q329 PolarHBondContact O-N 3.16Å; E325-Q329 VanDerWaalsContact O-N 3.15Å; E325-Y352 PolarHBondContact OE1-OH 3.42Å |
| 326 | L | 85.4 | Confident | 84.7 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.6 | -37.2 | 174.7 | -176.6 | 53.9 | 0 | 0 | 0 | 111.6 | P255 T269 P272 L274 V276 L318 L328 Q329 L330 | P255-L326 HydrophobicContact CG-CD1 4.46Å; T269-L326 HydrophobicContact CG2-CD1 3.79Å; T269-L326 HydrophobicContact CG2-CD2 4.08Å; P272-L326 HydrophobicContact CG-CB 4.18Å; L274-L326 HydrophobicContact CD1-CB 4.44Å; L274-L326 HydrophobicContact CD1-CD2 4.19Å; V276-L326 HydrophobicContact CG2-CD2 4.31Å; L318-L326 HydrophobicContact CD1-CB 4.27Å; L318-L326 HydrophobicContact CD1-CD2 4.25Å; L318-L326 HydrophobicContact CD1-CG 3.86Å; L318-L326 HydrophobicContact CD2-CB 4.27Å; L318-L326 HydrophobicContact CD2-CD2 3.91Å; L318-L326 HydrophobicContact CD2-CG 4.21Å; L326-L328 VanDerWaalsContact C-N 3.26Å; L326-L328 PolarHBondContact O-N 2.99Å; L326-Q329 PolarHBondContact O-N 3Å; L326-L330 HydrophobicContact CD1-CG 4.38Å; L326-L330 WeakPolarHBondContact O-CG 3.43Å; L326-L330 PolarHBondContact O-N 3.1Å |
| 327 | A | 87.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.7 | -36.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I315 L318 Q323 F324 A331 I348 | I315-A327 HydrophobicContact CG2-CB 4.46Å; L318-A327 HydrophobicContact CB-CB 3.94Å; L318-A327 HydrophobicContact CD1-CB 4.3Å; Q323-A327 PolarHBondContact O-N 2.88Å; F324-A327 PolarHBondContact O-N 3.16Å; A327-A331 WeakPolarHBondContact O-CB 3.45Å; A327-A331 PolarHBondContact O-N 3.4Å; A327-I348 HydrophobicContact CB-CG2 4.2Å |
| 328 | L | 87.5 | Confident | 84 | Confident | 22 Ų | 22 | 60.4 Ų | 60.4 | 12% | 0.115 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.8 | -43.9 | 175.6 | -72.9 | 171.2 | 0 | 0 | 0 | 112.1 | F324 E325 L326 L330 A331 E332 I345 I348 K349 | F324-L328 VanDerWaalsContact O-CG 3.29Å; F324-L328 WeakPolarHBondContact O-CG 3.36Å; F324-L328 PolarHBondContact O-N 2.84Å; E325-L328 PolarHBondContact O-N 3.4Å; L326-L328 VanDerWaalsContact C-N 3.26Å; L326-L328 PolarHBondContact O-N 2.99Å; L328-L330 PolarHBondContact O-N 3.16Å; L328-A331 PolarHBondContact O-N 2.9Å; L328-E332 WeakPolarHBondContact O-CG 3.42Å; L328-E332 PolarHBondContact O-N 3.49Å; L328-I345 HydrophobicContact CD2-CG2 4.17Å; L328-I348 HydrophobicContact CD2-CB 3.7Å; L328-I348 HydrophobicContact CD2-CG2 3.46Å; L328-I348 VanDerWaalsContact CD2-CG2 3.46Å; L328-I348 HydrophobicContact CG-CB 4.43Å; L328-I348 HydrophobicContact CG-CG2 3.63Å; L328-K349 HydrophobicContact CD1-CG 4Å; L328-K349 HydrophobicContact CD2-CD 4.48Å; L328-K349 HydrophobicContact CD2-CG 3.63Å; L328-K349 HydrophobicContact CG-CG 4.5Å |
| 329 | Q | 85.3 | Confident | 83.5 | Confident | 58 Ų | 58 | 63.7 Ų | 63.7 | 27% | 0.271 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 175.6 | -72.5 | 178.7 | -21.8 | 0 | 0 | 111.8 | E271 E325 L326 A331 E332 M333 | E271-Q329 PolarHBondContact O-NE2 2.63Å; E271-Q329 PolarHBondContact O-OE1 2.92Å; E325-Q329 PolarHBondContact O-N 3.16Å; E325-Q329 VanDerWaalsContact O-N 3.15Å; L326-Q329 PolarHBondContact O-N 3Å; Q329-A331 VanDerWaalsContact C-N 3.33Å; Q329-A331 PolarHBondContact O-N 2.67Å; Q329-E332 PolarHBondContact O-N 3.01Å; Q329-M333 WeakPolarHBondContact O-CG 3.34Å; Q329-M333 PolarHBondContact O-N 2.79Å |
| 330 | L | 85.3 | Confident | 83.1 | Confident | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 176.2 | -66.5 | -178.6 | 0 | 0 | 0 | 112.2 | P255 Y256 Q314 I315 L318 L326 L328 E332 M333 K334 | P255-L330 HydrophobicContact CG-CD2 3.78Å; Y256-L330 HydrophobicContact CE2-CD2 4.4Å; Q314-L330 HydrophobicContact CB-CD1 3.78Å; I315-L330 HydrophobicContact CD1-CB 4.22Å; I315-L330 HydrophobicContact CG1-CB 3.89Å; L318-L330 HydrophobicContact CD1-CD1 3.46Å; L318-L330 VanDerWaalsContact CD1-CD1 3.46Å; L318-L330 HydrophobicContact CD1-CG 4.5Å; L326-L330 HydrophobicContact CD1-CG 4.38Å; L326-L330 WeakPolarHBondContact O-CG 3.43Å; L326-L330 PolarHBondContact O-N 3.1Å; L328-L330 PolarHBondContact O-N 3.16Å; L330-E332 VanDerWaalsContact C-N 3.33Å; L330-M333 PolarHBondContact O-N 3.46Å; L330-K334 PolarHBondContact O-N 3.28Å |
| 331 | A | 86.1 | Confident | 83 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 2% | 0.017 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.5 | -34.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I315 A327 L328 Q329 M333 K341 I345 I348 | I315-A331 HydrophobicContact CD1-CB 4.09Å; A327-A331 WeakPolarHBondContact O-CB 3.45Å; A327-A331 PolarHBondContact O-N 3.4Å; L328-A331 PolarHBondContact O-N 2.9Å; Q329-A331 VanDerWaalsContact C-N 3.33Å; Q329-A331 PolarHBondContact O-N 2.67Å; A331-M333 VanDerWaalsContact C-N 3.34Å; A331-K341 WeakPolarHBondContact O-CE 3.29Å; A331-I345 HydrophobicContact CB-CG1 3.9Å; A331-I348 HydrophobicContact CB-CD1 3.83Å |
| 332 | E | 85.7 | Confident | 83 | Confident | 101 Ų | 101 | 65 Ų | 65 | 47% | 0.472 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -72.1 | -26 | 174.2 | -76.2 | 177 | -175.9 | 0 | 0 | 113.1 | L328 Q329 L330 K341 I345 | L328-E332 WeakPolarHBondContact O-CG 3.42Å; L328-E332 PolarHBondContact O-N 3.49Å; Q329-E332 PolarHBondContact O-N 3.01Å; L330-E332 VanDerWaalsContact C-N 3.33Å; E332-K341 WeakPolarHBondContact O-CE 3.36Å; E332-K341 PolarHBondContact O-NZ 2.9Å; E332-I345 HydrophobicContact CG-CD1 3.7Å; E332-I345 HydrophobicContact CG-CG1 4.44Å |
| 333 | M | 80.5 | Confident | 82.8 | Confident | 74 Ų | 74 | 65.1 Ų | 65.1 | 37% | 0.365 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -90.1 | -12.6 | 177.1 | -69 | -174.2 | 75 | 0 | 0 | 114.1 | P254 P255 M311 Q329 L330 A331 | P254-M333 HydrophobicContact CB-CE 3.73Å; P254-M333 WeakPolarHBondContact O-CE 3.33Å; P255-M333 HydrophobicContact CB-SD 4.02Å; P255-M333 VanDerWaalsContact CD-SD 3.59Å; P255-M333 HydrophobicContact CG-SD 4Å; M311-M333 HydrophobicContact SD-CB 4.37Å; Q329-M333 WeakPolarHBondContact O-CG 3.34Å; Q329-M333 PolarHBondContact O-N 2.79Å; L330-M333 PolarHBondContact O-N 3.46Å; A331-M333 VanDerWaalsContact C-N 3.34Å |
| 334 | K | 81.9 | Confident | 82.7 | Confident | 45 Ų | 45 | 64 Ų | 64 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -68.8 | 132.6 | 179.9 | -167.4 | 178.5 | 174.8 | -141.7 | 0 | 110.9 | M311 L330 D336 | M311-K334 HydrophobicContact SD-CB 4.08Å; L330-K334 PolarHBondContact O-N 3.28Å; K334-D336 WeakPolarHBondContact CD-OD2 3.35Å; K334-D336 VanDerWaalsContact CE-CG 3.47Å; K334-D336 WeakPolarHBondContact CE-OD1 3.02Å; K334-D336 WeakPolarHBondContact CE-OD2 3.16Å; K334-D336 VanDerWaalsContact NZ-CG 3.29Å; K334-D336 IonicContact NZ-OD1 3.24Å; K334-D336 PolarHBondContact NZ-OD1 3.36Å; K334-D336 VanDerWaalsContact NZ-OD1 3.13Å; K334-D336 IonicContact NZ-OD2 3.27Å; K334-D336 PolarHBondContact NZ-OD2 3.32Å; K334-D336 PolarHBondContact O-N 2.99Å |
| 335 | D | 73.6 | Confident | 82.6 | Confident | 160 Ų | 160 | 64.3 Ų | 64.3 | 86% | 0.856 | 33% | 0.326 | S | S | * | . | trans | -79.2 | 65.2 | 175.8 | -66.3 | -37.1 | 0 | 0 | 0 | 111.1 | ||||
| 336 | D | 76.3 | Confident | 82.6 | Confident | 47 Ų | 47 | 62.4 Ų | 62.4 | 25% | 0.251 | 32% | 0.318 | S | S | . | . | trans | -103.7 | 168.1 | 172.9 | -74.6 | -12.7 | 0 | 0 | 0 | 111.2 | K334 E340 K341 | K334-D336 WeakPolarHBondContact CD-OD2 3.35Å; K334-D336 VanDerWaalsContact CE-CG 3.47Å; K334-D336 WeakPolarHBondContact CE-OD1 3.02Å; K334-D336 WeakPolarHBondContact CE-OD2 3.16Å; K334-D336 VanDerWaalsContact NZ-CG 3.29Å; K334-D336 IonicContact NZ-OD1 3.24Å; K334-D336 PolarHBondContact NZ-OD1 3.36Å; K334-D336 VanDerWaalsContact NZ-OD1 3.13Å; K334-D336 IonicContact NZ-OD2 3.27Å; K334-D336 PolarHBondContact NZ-OD2 3.32Å; K334-D336 PolarHBondContact O-N 2.99Å; D336-E340 HydrophobicContact CB-CB 4.48Å; D336-K341 HydrophobicContact CB-CB 4.28Å | ||
| 337 | S | 79.6 | Confident | 82.5 | Confident | 58 Ų | 58 | 66.9 Ų | 66.9 | 41% | 0.406 | 34% | 0.338 | S | S | . | . | trans | -58.9 | 143.7 | 166.6 | 71.1 | 0 | 0 | 0 | 0 | 110.8 | S339 E340 K341 | S337-S339 PolarHBondContact O-N 2.98Å; S337-E340 PolarHBondContact O-N 3.05Å; S337-E340 VanDerWaalsContact O-N 3.12Å; S337-E340 VanDerWaalsContact OG-CG 3.29Å; S337-E340 WeakPolarHBondContact OG-CG 3.28Å; S337-E340 PolarHBondContact OG-N 3.27Å; S337-E340 PolarHBondContact OG-OE2 3.27Å; S337-K341 WeakPolarHBondContact O-CB 3.24Å; S337-K341 PolarHBondContact O-N 3.41Å | ||
| 338 | D | 79.6 | Confident | 82.5 | Confident | 126 Ų | 126 | 67 Ų | 67 | 67% | 0.674 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -53.2 | -34 | -177.3 | -78 | -22.9 | 0 | 0 | 0 | 112.9 | Q342 | D338-Q342 WeakPolarHBondContact O-CB 3.28Å; D338-Q342 WeakPolarHBondContact O-CG 3.33Å; D338-Q342 PolarHBondContact O-N 3.28Å |
| 339 | S | 77.5 | Confident | 82.5 | Confident | 71 Ų | 71 | 69.2 Ų | 69.2 | 50% | 0.497 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.5 | -50.3 | 178.6 | 179 | 0 | 0 | 0 | 0 | 112.7 | S337 K341 Q342 Q343 | S337-S339 PolarHBondContact O-N 2.98Å; S339-K341 VanDerWaalsContact C-N 3.32Å; S339-Q342 PolarHBondContact O-N 2.92Å; S339-Q343 WeakPolarHBondContact O-CG 3.17Å; S339-Q343 PolarHBondContact O-N 3.15Å |
| 340 | E | 78.9 | Confident | 82.5 | Confident | 110 Ų | 110 | 66.7 Ų | 66.7 | 51% | 0.514 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.7 | -40 | -179.5 | -70.1 | 166.2 | 152.3 | 0 | 0 | 110.9 | D336 S337 Q342 Q343 Q344 | D336-E340 HydrophobicContact CB-CB 4.48Å; S337-E340 PolarHBondContact O-N 3.05Å; S337-E340 VanDerWaalsContact O-N 3.12Å; S337-E340 VanDerWaalsContact OG-CG 3.29Å; S337-E340 WeakPolarHBondContact OG-CG 3.28Å; S337-E340 PolarHBondContact OG-N 3.27Å; S337-E340 PolarHBondContact OG-OE2 3.27Å; E340-Q342 PolarHBondContact O-N 3.19Å; E340-Q343 PolarHBondContact O-N 3.32Å; E340-Q344 WeakPolarHBondContact O-CB 3.38Å; E340-Q344 PolarHBondContact O-N 2.97Å |
| 341 | K | 82.8 | Confident | 82.6 | Confident | 48 Ų | 48 | 68.2 Ų | 68.2 | 21% | 0.209 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.9 | -47.9 | 175.1 | -173.4 | 173.2 | -175.2 | 166.9 | 0 | 111.9 | A331 E332 D336 S337 S339 Q343 Q344 I345 | A331-K341 WeakPolarHBondContact O-CE 3.29Å; E332-K341 WeakPolarHBondContact O-CE 3.36Å; E332-K341 PolarHBondContact O-NZ 2.9Å; D336-K341 HydrophobicContact CB-CB 4.28Å; S337-K341 WeakPolarHBondContact O-CB 3.24Å; S337-K341 PolarHBondContact O-N 3.41Å; S339-K341 VanDerWaalsContact C-N 3.32Å; K341-Q343 PolarHBondContact O-N 3.11Å; K341-Q344 PolarHBondContact O-N 3.2Å; K341-I345 HydrophobicContact CG-CD1 3.85Å; K341-I345 WeakPolarHBondContact O-CB 3.38Å; K341-I345 WeakPolarHBondContact O-CD1 3.45Å; K341-I345 WeakPolarHBondContact O-CG1 3.37Å; K341-I345 PolarHBondContact O-N 3.41Å |
| 342 | Q | 83.2 | Confident | 82.7 | Confident | 136 Ų | 136 | 69.9 Ų | 69.9 | 64% | 0.636 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.4 | -40.4 | 177.3 | -76.7 | 176.9 | 16.2 | 0 | 0 | 112.4 | D338 S339 E340 H346 | D338-Q342 WeakPolarHBondContact O-CB 3.28Å; D338-Q342 WeakPolarHBondContact O-CG 3.33Å; D338-Q342 PolarHBondContact O-N 3.28Å; S339-Q342 PolarHBondContact O-N 2.92Å; E340-Q342 PolarHBondContact O-N 3.19Å; Q342-H346 VanDerWaalsContact O-CB 3.22Å; Q342-H346 WeakPolarHBondContact O-CB 3.32Å; Q342-H346 PolarHBondContact O-N 3.06Å |
| 343 | Q | 82.4 | Confident | 82.8 | Confident | 120 Ų | 120 | 65.1 Ų | 65.1 | 56% | 0.561 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.7 | -46.6 | 176.5 | -72.4 | 175.2 | -1.3 | 0 | 0 | 111.7 | S339 E340 K341 H346 H347 | S339-Q343 WeakPolarHBondContact O-CG 3.17Å; S339-Q343 PolarHBondContact O-N 3.15Å; E340-Q343 PolarHBondContact O-N 3.32Å; K341-Q343 PolarHBondContact O-N 3.11Å; Q343-H346 PolarHBondContact O-N 3.49Å; Q343-H347 WeakPolarHBondContact O-CB 3.25Å; Q343-H347 PolarHBondContact O-N 3.41Å |
| 344 | Q | 83.7 | Confident | 83.2 | Confident | 50 Ų | 50 | 61.7 Ų | 61.7 | 23% | 0.234 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 178 | -171.3 | 171.3 | 11.2 | 0 | 0 | 111.3 | E340 K341 H346 H347 I348 | E340-Q344 WeakPolarHBondContact O-CB 3.38Å; E340-Q344 PolarHBondContact O-N 2.97Å; K341-Q344 PolarHBondContact O-N 3.2Å; Q344-H346 VanDerWaalsContact C-N 3.34Å; Q344-H346 PolarHBondContact O-N 2.67Å; Q344-H347 PolarHBondContact O-N 3.35Å; Q344-I348 HydrophobicContact CG-CD1 4.03Å; Q344-I348 VanDerWaalsContact O-CG1 3.26Å; Q344-I348 WeakPolarHBondContact O-CG1 3.49Å; Q344-I348 PolarHBondContact O-N 2.86Å |
| 345 | I | 86.3 | Confident | 83.5 | Confident | 21 Ų | 21 | 60 Ų | 60 | 11% | 0.108 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 175.3 | -71.5 | 167.2 | 0 | 0 | 0 | 110.8 | L328 A331 E332 K341 H347 I348 K349 | L328-I345 HydrophobicContact CD2-CG2 4.17Å; A331-I345 HydrophobicContact CB-CG1 3.9Å; E332-I345 HydrophobicContact CG-CD1 3.7Å; E332-I345 HydrophobicContact CG-CG1 4.44Å; K341-I345 HydrophobicContact CG-CD1 3.85Å; K341-I345 WeakPolarHBondContact O-CB 3.38Å; K341-I345 WeakPolarHBondContact O-CD1 3.45Å; K341-I345 WeakPolarHBondContact O-CG1 3.37Å; K341-I345 PolarHBondContact O-N 3.41Å; I345-H347 VanDerWaalsContact C-N 3.34Å; I345-H347 PolarHBondContact O-N 3.42Å; I345-I348 PolarHBondContact O-N 2.97Å; I345-K349 HydrophobicContact CG2-CD 3.88Å; I345-K349 VanDerWaalsContact CG2-CE 3.5Å; I345-K349 HydrophobicContact CG2-CG 4.34Å; I345-K349 WeakPolarHBondContact O-CB 3.26Å; I345-K349 VanDerWaalsContact O-CG 3.3Å; I345-K349 WeakPolarHBondContact O-CG 3.2Å; I345-K349 PolarHBondContact O-N 2.73Å |
| 346 | H | 85.4 | Confident | 84.2 | Confident | 58 Ų | 58 | 52.4 Ų | 52.4 | 27% | 0.269 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 178.1 | -177.4 | -82.8 | 0 | 0 | 0 | 111.4 | Q342 Q343 Q344 K349 N350 L372 S441 | Q342-H346 VanDerWaalsContact O-CB 3.22Å; Q342-H346 WeakPolarHBondContact O-CB 3.32Å; Q342-H346 PolarHBondContact O-N 3.06Å; Q343-H346 PolarHBondContact O-N 3.49Å; Q344-H346 VanDerWaalsContact C-N 3.34Å; Q344-H346 PolarHBondContact O-N 2.67Å; H346-K349 PolarHBondContact O-N 2.85Å; H346-N350 PolarHBondContact CE1-ND2 2.98Å; H346-N350 PolarHBondContact O-N 2.91Å; H346-L372 PolarHBondContact NE2-O 3.37Å; H346-S441 PolarHBondContact CE1-OG 2.75Å; H346-S441 PolarHBondContact NE2-OG 3Å |
| 347 | H | 84.4 | Confident | 84.8 | Confident | 95 Ų | 95 | 50.2 Ų | 50.2 | 44% | 0.44 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.3 | -48.8 | 175.8 | -177.8 | 71.9 | 0 | 0 | 0 | 112.3 | Q343 Q344 I345 K349 N350 L351 | Q343-H347 WeakPolarHBondContact O-CB 3.25Å; Q343-H347 PolarHBondContact O-N 3.41Å; Q344-H347 PolarHBondContact O-N 3.35Å; I345-H347 VanDerWaalsContact C-N 3.34Å; I345-H347 PolarHBondContact O-N 3.42Å; H347-K349 VanDerWaalsContact C-N 3.32Å; H347-K349 PolarHBondContact O-N 3.17Å; H347-N350 WeakPolarHBondContact O-CB 3.45Å; H347-N350 PolarHBondContact O-N 3.3Å; H347-L351 PolarHBondContact O-N 2.9Å; H347-L351 VanDerWaalsContact O-N 3.09Å |
| 348 | I | 87.3 | Confident | 85.1 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.3 | -41.5 | 178.3 | -62.3 | 167.1 | 0 | 0 | 0 | 110.6 | I315 L319 F324 A327 L328 A331 Q344 I345 N350 L351 Y352 | I315-I348 HydrophobicContact CG2-CD1 3.88Å; L319-I348 HydrophobicContact CD1-CG1 4.42Å; L319-I348 HydrophobicContact CD2-CG1 4.2Å; L319-I348 HydrophobicContact CD2-CG2 4.07Å; F324-I348 HydrophobicContact CD1-CG2 4.28Å; A327-I348 HydrophobicContact CB-CG2 4.2Å; L328-I348 HydrophobicContact CD2-CB 3.7Å; L328-I348 HydrophobicContact CD2-CG2 3.46Å; L328-I348 VanDerWaalsContact CD2-CG2 3.46Å; L328-I348 HydrophobicContact CG-CB 4.43Å; L328-I348 HydrophobicContact CG-CG2 3.63Å; A331-I348 HydrophobicContact CB-CD1 3.83Å; Q344-I348 HydrophobicContact CG-CD1 4.03Å; Q344-I348 VanDerWaalsContact O-CG1 3.26Å; Q344-I348 WeakPolarHBondContact O-CG1 3.49Å; Q344-I348 PolarHBondContact O-N 2.86Å; I345-I348 PolarHBondContact O-N 2.97Å; I348-N350 PolarHBondContact O-N 3.06Å; I348-L351 PolarHBondContact O-N 3.38Å; I348-Y352 WeakPolarHBondContact O-CB 3.16Å; I348-Y352 PolarHBondContact O-N 3.3Å |
| 349 | K | 87.4 | Confident | 85.5 | Confident | 69 Ų | 69 | 48.2 Ų | 48.2 | 30% | 0.3 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.4 | -37 | 177.6 | -72.2 | 178.8 | 178.5 | 166.5 | 0 | 112.7 | L328 I345 H346 H347 Y352 A353 L372 | L328-K349 HydrophobicContact CD1-CG 4Å; L328-K349 HydrophobicContact CD2-CD 4.48Å; L328-K349 HydrophobicContact CD2-CG 3.63Å; L328-K349 HydrophobicContact CG-CG 4.5Å; I345-K349 HydrophobicContact CG2-CD 3.88Å; I345-K349 VanDerWaalsContact CG2-CE 3.5Å; I345-K349 HydrophobicContact CG2-CG 4.34Å; I345-K349 WeakPolarHBondContact O-CB 3.26Å; I345-K349 VanDerWaalsContact O-CG 3.3Å; I345-K349 WeakPolarHBondContact O-CG 3.2Å; I345-K349 PolarHBondContact O-N 2.73Å; H346-K349 PolarHBondContact O-N 2.85Å; H347-K349 VanDerWaalsContact C-N 3.32Å; H347-K349 PolarHBondContact O-N 3.17Å; K349-Y352 PolarHBondContact O-N 2.95Å; K349-A353 WeakPolarHBondContact O-CB 3.48Å; K349-A353 PolarHBondContact O-N 2.6Å; K349-L372 HydrophobicContact CB-CD1 3.75Å; K349-L372 HydrophobicContact CB-CD2 3.58Å; K349-L372 HydrophobicContact CB-CG 4.19Å; K349-L372 HydrophobicContact CD-CD2 3.9Å; K349-L372 HydrophobicContact CG-CD2 4.35Å |
| 350 | N | 85.8 | Confident | 86 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.032 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.3 | -45.4 | 173.1 | -93.1 | -18.8 | 0 | 0 | 0 | 111.3 | H346 H347 I348 Y352 A353 F354 L372 T374 P442 | H346-N350 PolarHBondContact CE1-ND2 2.98Å; H346-N350 PolarHBondContact O-N 2.91Å; H347-N350 WeakPolarHBondContact O-CB 3.45Å; H347-N350 PolarHBondContact O-N 3.3Å; I348-N350 PolarHBondContact O-N 3.06Å; N350-Y352 VanDerWaalsContact C-N 3.32Å; N350-Y352 PolarHBondContact O-N 2.92Å; N350-A353 PolarHBondContact O-N 3.38Å; N350-F354 WeakPolarHBondContact O-CB 3.22Å; N350-F354 PolarHBondContact O-N 3.43Å; N350-L372 VanDerWaalsContact OD1-CD1 3.29Å; N350-L372 WeakPolarHBondContact OD1-CD1 3.07Å; N350-T374 PolarHBondContact OD1-OG1 3.36Å; N350-P442 PolarHBondContact ND2-O 3.27Å |
| 351 | L | 86.6 | Confident | 86.5 | Confident | 35 Ų | 35 | 49.1 Ų | 49.1 | 18% | 0.183 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.2 | -39.4 | 175.8 | -66.3 | 178.2 | 0 | 0 | 0 | 111.8 | L319 F324 H347 I348 F354 N355 P398 | L319-L351 HydrophobicContact CD2-CD1 4.01Å; F324-L351 HydrophobicContact CD1-CB 4.18Å; F324-L351 HydrophobicContact CE1-CB 3.55Å; F324-L351 HydrophobicContact CE1-CD1 4.49Å; F324-L351 HydrophobicContact CZ-CB 4.3Å; H347-L351 PolarHBondContact O-N 2.9Å; H347-L351 VanDerWaalsContact O-N 3.09Å; I348-L351 PolarHBondContact O-N 3.38Å; L351-F354 PolarHBondContact O-N 3.47Å; L351-N355 WeakPolarHBondContact O-CB 3.25Å; L351-N355 PolarHBondContact O-N 3.2Å; L351-P398 HydrophobicContact CD2-CB 3.89Å; L351-P398 HydrophobicContact CD2-CG 3.54Å |
| 352 | Y | 88.3 | Confident | 86.9 | Confident | 37 Ų | 37 | 47.3 Ų | 47.3 | 15% | 0.145 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.3 | -48.6 | 176.1 | 180 | -130.2 | 0 | 0 | 0 | 112.2 | F324 E325 I348 K349 N350 F354 N355 L356 | F324-Y352 HydrophobicContact CB-CD2 3.52Å; F324-Y352 HydrophobicContact CB-CE2 4.37Å; F324-Y352 HydrophobicContact CB-CG 3.83Å; F324-Y352 AromaticContact CD2-CD2 3.72Å; F324-Y352 HydrophobicContact CD2-CD2 3.72Å; F324-Y352 AromaticContact CG-CD2 3.8Å; F324-Y352 HydrophobicContact CG-CD2 3.8Å; F324-Y352 HydrophobicContact CG-CG 4.22Å; E325-Y352 PolarHBondContact OE1-OH 3.42Å; I348-Y352 WeakPolarHBondContact O-CB 3.16Å; I348-Y352 PolarHBondContact O-N 3.3Å; K349-Y352 PolarHBondContact O-N 2.95Å; N350-Y352 VanDerWaalsContact C-N 3.32Å; N350-Y352 PolarHBondContact O-N 2.92Å; Y352-F354 VanDerWaalsContact C-N 3.28Å; Y352-F354 PolarHBondContact O-N 3.4Å; Y352-N355 WeakPolarHBondContact O-CB 3.44Å; Y352-N355 PolarHBondContact O-N 3.28Å; Y352-N355 VanDerWaalsContact O-N 3.07Å; Y352-L356 HydrophobicContact CD1-CD1 4.14Å; Y352-L356 HydrophobicContact CD2-CD1 4.46Å; Y352-L356 HydrophobicContact CD2-CG 4.23Å; Y352-L356 HydrophobicContact CE1-CD1 3.71Å; Y352-L356 HydrophobicContact CE1-CG 4.42Å; Y352-L356 HydrophobicContact CE2-CD1 4.04Å; Y352-L356 HydrophobicContact CE2-CD2 3.97Å; Y352-L356 HydrophobicContact CE2-CG 3.83Å; Y352-L356 WeakPolarHBondContact O-CG 3.23Å; Y352-L356 PolarHBondContact O-N 3.29Å |
| 353 | A | 88.7 | Confident | 87.2 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58 | -42.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | K349 N350 L356 F357 S365 V368 F369 | K349-A353 WeakPolarHBondContact O-CB 3.48Å; K349-A353 PolarHBondContact O-N 2.6Å; N350-A353 PolarHBondContact O-N 3.38Å; A353-L356 PolarHBondContact O-N 3.09Å; A353-F357 PolarHBondContact O-N 3.43Å; A353-F357 VanDerWaalsContact O-N 3.16Å; A353-S365 WeakPolarHBondContact O-CB 3.23Å; A353-S365 PolarHBondContact O-OG 2.96Å; A353-V368 HydrophobicContact CB-CB 3.86Å; A353-V368 HydrophobicContact CB-CG1 3.69Å; A353-F369 HydrophobicContact CB-CD1 3.62Å; A353-F369 HydrophobicContact CB-CD2 4.13Å; A353-F369 HydrophobicContact CB-CE1 3.4Å; A353-F369 VanDerWaalsContact CB-CE1 3.4Å; A353-F369 HydrophobicContact CB-CE2 3.94Å; A353-F369 HydrophobicContact CB-CG 3.98Å; A353-F369 HydrophobicContact CB-CZ 3.58Å |
| 354 | F | 88.1 | Confident | 87.6 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.009 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.5 | -40.8 | 174.7 | -179.8 | -95.2 | 0 | 0 | 0 | 112.2 | N350 L351 Y352 F357 C358 F369 L382 Y397 P398 N399 L401 | N350-F354 WeakPolarHBondContact O-CB 3.22Å; N350-F354 PolarHBondContact O-N 3.43Å; L351-F354 PolarHBondContact O-N 3.47Å; Y352-F354 VanDerWaalsContact C-N 3.28Å; Y352-F354 PolarHBondContact O-N 3.4Å; F354-F357 WeakPolarHBondContact O-CB 3.26Å; F354-F357 PolarHBondContact O-N 3.13Å; F354-C358 VanDerWaalsContact CE1-SG 3.6Å; F354-C358 PolarHBondContact O-N 2.96Å; F354-C358 PolarHBondContact O-SG 3.23Å; F354-F369 HydrophobicContact CB-CZ 4.35Å; F354-L382 HydrophobicContact CD2-CD2 3.82Å; F354-L382 HydrophobicContact CE2-CD2 3.66Å; F354-Y397 HydrophobicContact CD2-CD1 4.25Å; F354-Y397 AromaticContact CE2-CD1 3.77Å; F354-Y397 HydrophobicContact CE2-CD1 3.77Å; F354-Y397 HydrophobicContact CE2-CG 4.13Å; F354-P398 HydrophobicContact CD1-CB 4.29Å; F354-P398 HydrophobicContact CD1-CG 4.15Å; F354-P398 HydrophobicContact CE1-CB 4.27Å; F354-P398 HydrophobicContact CE1-CG 4.42Å; F354-P398 HydrophobicContact CG-CG 4.43Å; F354-N399 HydrophobicContact CE1-CB 3.91Å; F354-N399 HydrophobicContact CZ-CB 4.46Å; F354-N399 WeakPolarHBondContact CZ-O 3.47Å; F354-L401 HydrophobicContact CE2-CD2 3.75Å; F354-L401 HydrophobicContact CZ-CD2 4.11Å |
| 355 | N | 87.5 | Confident | 87.9 | Confident | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.053 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.1 | -42.6 | 176.8 | -166.7 | -90 | 0 | 0 | 0 | 112.4 | F324 L351 Y352 F357 C358 Q359 | F324-N355 HydrophobicContact CD2-CB 4.2Å; F324-N355 HydrophobicContact CE2-CB 3.47Å; F324-N355 VanDerWaalsContact CE2-CB 3.47Å; F324-N355 VanDerWaalsContact CE2-CG 3.48Å; F324-N355 HydrophobicContact CZ-CB 4Å; L351-N355 WeakPolarHBondContact O-CB 3.25Å; L351-N355 PolarHBondContact O-N 3.2Å; Y352-N355 WeakPolarHBondContact O-CB 3.44Å; Y352-N355 PolarHBondContact O-N 3.28Å; Y352-N355 VanDerWaalsContact O-N 3.07Å; N355-F357 PolarHBondContact O-N 3.1Å; N355-C358 WeakPolarHBondContact O-CB 3.3Å; N355-C358 PolarHBondContact O-N 3.36Å; N355-C358 VanDerWaalsContact O-N 3.11Å; N355-Q359 WeakPolarHBondContact O-CG 3.4Å; N355-Q359 PolarHBondContact O-N 3.27Å; N355-Q359 PolarHBondContact OD1-NE2 3.05Å |
| 356 | L | 88.4 | Confident | 88.2 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.8 | -38.6 | 173.8 | -72.5 | 172.8 | 0 | 0 | 0 | 111.8 | Y352 A353 Q359 K360 R361 E364 V368 | Y352-L356 HydrophobicContact CD1-CD1 4.14Å; Y352-L356 HydrophobicContact CD2-CD1 4.46Å; Y352-L356 HydrophobicContact CD2-CG 4.23Å; Y352-L356 HydrophobicContact CE1-CD1 3.71Å; Y352-L356 HydrophobicContact CE1-CG 4.42Å; Y352-L356 HydrophobicContact CE2-CD1 4.04Å; Y352-L356 HydrophobicContact CE2-CD2 3.97Å; Y352-L356 HydrophobicContact CE2-CG 3.83Å; Y352-L356 WeakPolarHBondContact O-CG 3.23Å; Y352-L356 PolarHBondContact O-N 3.29Å; A353-L356 PolarHBondContact O-N 3.09Å; L356-Q359 PolarHBondContact O-N 3.45Å; L356-K360 PolarHBondContact O-N 3.13Å; L356-R361 HydrophobicContact CD2-CB 4.41Å; L356-R361 PolarHBondContact O-N 3.37Å; L356-E364 HydrophobicContact CD1-CB 4.21Å; L356-V368 HydrophobicContact CD1-CG2 4.24Å |
| 357 | F | 88.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.1 | -47.9 | 173.8 | -172.5 | -91.7 | 0 | 0 | 0 | 111.6 | A353 F354 N355 Q359 K360 F362 S365 M366 L382 Y383 P402 L404 | A353-F357 PolarHBondContact O-N 3.43Å; A353-F357 VanDerWaalsContact O-N 3.16Å; F354-F357 WeakPolarHBondContact O-CB 3.26Å; F354-F357 PolarHBondContact O-N 3.13Å; N355-F357 PolarHBondContact O-N 3.1Å; F357-Q359 PolarHBondContact O-N 2.64Å; F357-K360 PolarHBondContact O-N 3.38Å; F357-F362 AromaticContact CD2-CD1 3.66Å; F357-F362 HydrophobicContact CD2-CD1 3.66Å; F357-F362 HydrophobicContact CD2-CE1 4.02Å; F357-F362 HydrophobicContact CE1-CE1 4.44Å; F357-F362 AromaticContact CE2-CD1 3.57Å; F357-F362 HydrophobicContact CE2-CD1 3.57Å; F357-F362 AromaticContact CE2-CE1 3.74Å; F357-F362 HydrophobicContact CE2-CE1 3.74Å; F357-F362 HydrophobicContact CG-CD1 4.42Å; F357-F362 HydrophobicContact CG-CE1 4.48Å; F357-F362 HydrophobicContact CZ-CD1 4.28Å; F357-F362 AromaticContact CZ-CE1 3.97Å; F357-F362 HydrophobicContact CZ-CE1 3.97Å; F357-S365 WeakPolarHBondContact CB-OG 3.43Å; F357-M366 HydrophobicContact CD2-CE 3.75Å; F357-M366 HydrophobicContact CE2-CE 3.96Å; F357-L382 HydrophobicContact CD1-CB 4.29Å; F357-L382 HydrophobicContact CD1-CD1 4.22Å; F357-L382 HydrophobicContact CD2-CD1 3.91Å; F357-L382 HydrophobicContact CE1-CB 3.74Å; F357-L382 HydrophobicContact CE1-CD1 4.45Å; F357-L382 HydrophobicContact CE2-CB 4.08Å; F357-L382 HydrophobicContact CE2-CD1 4.15Å; F357-L382 HydrophobicContact CG-CD1 3.95Å; F357-L382 HydrophobicContact CZ-CB 3.61Å; F357-L382 HydrophobicContact CZ-CD1 4.41Å; F357-Y383 HydrophobicContact CE2-CE1 4.29Å; F357-Y383 AromaticContact CE2-CE2 3.85Å; F357-Y383 HydrophobicContact CE2-CE2 3.85Å; F357-Y383 AromaticContact CE2-CZ 3.65Å; F357-Y383 HydrophobicContact CZ-CE1 4.46Å; F357-Y383 HydrophobicContact CZ-CE2 4.21Å; F357-P402 HydrophobicContact CD1-CG 4.16Å; F357-P402 HydrophobicContact CE1-CG 3.92Å; F357-L404 HydrophobicContact CE1-CD1 4.34Å; F357-L404 HydrophobicContact CZ-CD1 3.91Å |
| 358 | C | 87.2 | Confident | 88.6 | Confident | 40 Ų | 40 | 40.1 Ų | 40.1 | 27% | 0.27 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60.7 | -30.4 | 176 | -66.7 | 0 | 0 | 0 | 0 | 112.9 | F354 N355 K360 | F354-C358 VanDerWaalsContact CE1-SG 3.6Å; F354-C358 PolarHBondContact O-N 2.96Å; F354-C358 PolarHBondContact O-SG 3.23Å; N355-C358 WeakPolarHBondContact O-CB 3.3Å; N355-C358 PolarHBondContact O-N 3.36Å; N355-C358 VanDerWaalsContact O-N 3.11Å; C358-K360 PolarHBondContact O-N 3.4Å |
| 359 | Q | 87.9 | Confident | 88.7 | Confident | 102 Ų | 102 | 40 Ų | 40 | 48% | 0.477 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | 3.8 | 174.4 | -66.6 | -178.5 | 11.7 | 0 | 0 | 113.9 | N355 L356 F357 R361 | N355-Q359 WeakPolarHBondContact O-CG 3.4Å; N355-Q359 PolarHBondContact O-N 3.27Å; N355-Q359 PolarHBondContact OD1-NE2 3.05Å; L356-Q359 PolarHBondContact O-N 3.45Å; F357-Q359 PolarHBondContact O-N 2.64Å; Q359-R361 PolarHBondContact O-N 3Å |
| 360 | K | 87.9 | Confident | 88.7 | Confident | 100 Ų | 100 | 37.6 Ų | 37.6 | 44% | 0.435 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 17.5 | -177 | -48.8 | -179.5 | -178.2 | -173.9 | 0 | 114.4 | L356 F357 C358 F362 E408 | L356-K360 PolarHBondContact O-N 3.13Å; F357-K360 PolarHBondContact O-N 3.38Å; C358-K360 PolarHBondContact O-N 3.4Å; K360-F362 VanDerWaalsContact C-N 3.29Å; K360-F362 HydrophobicContact CB-CE2 4.06Å; K360-F362 HydrophobicContact CB-CZ 3.98Å; K360-F362 HydrophobicContact CG-CZ 4.3Å; K360-F362 WeakPolarHBondContact O-CD2 3.44Å; K360-F362 PolarHBondContact O-N 2.94Å; K360-E408 WeakPolarHBondContact CE-OE2 3.38Å; K360-E408 IonicContact NZ-OE1 3.89Å; K360-E408 PolarHBondContact NZ-OE1 3.46Å; K360-E408 IonicContact NZ-OE2 2.65Å; K360-E408 PolarHBondContact NZ-OE2 3.1Å |
| 361 | R | 89.7 | Confident | 88.7 | Confident | 100 Ų | 100 | 45.7 Ų | 45.7 | 38% | 0.377 | 22% | 0.217 | S | C | . | . | trans | -89.5 | 67.8 | 172.4 | -68 | 170.9 | 70.4 | -175 | 7.2 | 109.2 | L356 Q359 E364 S365 | L356-R361 HydrophobicContact CD2-CB 4.41Å; L356-R361 PolarHBondContact O-N 3.37Å; Q359-R361 PolarHBondContact O-N 3Å; R361-E364 IonicContact CZ-OE1 3.08Å; R361-E364 VanDerWaalsContact CZ-OE1 3.24Å; R361-E364 IonicContact CZ-OE2 2.68Å; R361-E364 VanDerWaalsContact CZ-OE2 3.27Å; R361-E364 IonicContact NE-OE1 2.66Å; R361-E364 PolarHBondContact NE-OE1 2.86Å; R361-E364 IonicContact NE-OE2 2.85Å; R361-E364 IonicContact NH2-OE1 3.04Å; R361-E364 PolarHBondContact NH2-OE1 3.3Å; R361-E364 IonicContact NH2-OE2 2.67Å; R361-E364 PolarHBondContact NH2-OE2 2.97Å; R361-S365 WeakPolarHBondContact O-CB 3.34Å; R361-S365 PolarHBondContact O-N 3.43Å; R361-S365 VanDerWaalsContact O-N 3.11Å | ||
| 362 | F | 90.9 | Very high | 88.6 | Confident | 11 Ų | 11 | 45.2 Ų | 45.2 | 5% | 0.048 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.1 | -45.8 | -168.9 | -56.8 | -63.5 | 0 | 0 | 0 | 113.1 | F357 K360 E364 S365 M366 L404 K411 A412 A415 | F357-F362 AromaticContact CD2-CD1 3.66Å; F357-F362 HydrophobicContact CD2-CD1 3.66Å; F357-F362 HydrophobicContact CD2-CE1 4.02Å; F357-F362 HydrophobicContact CE1-CE1 4.44Å; F357-F362 AromaticContact CE2-CD1 3.57Å; F357-F362 HydrophobicContact CE2-CD1 3.57Å; F357-F362 AromaticContact CE2-CE1 3.74Å; F357-F362 HydrophobicContact CE2-CE1 3.74Å; F357-F362 HydrophobicContact CG-CD1 4.42Å; F357-F362 HydrophobicContact CG-CE1 4.48Å; F357-F362 HydrophobicContact CZ-CD1 4.28Å; F357-F362 AromaticContact CZ-CE1 3.97Å; F357-F362 HydrophobicContact CZ-CE1 3.97Å; K360-F362 VanDerWaalsContact C-N 3.29Å; K360-F362 HydrophobicContact CB-CE2 4.06Å; K360-F362 HydrophobicContact CB-CZ 3.98Å; K360-F362 HydrophobicContact CG-CZ 4.3Å; K360-F362 WeakPolarHBondContact O-CD2 3.44Å; K360-F362 PolarHBondContact O-N 2.94Å; F362-E364 PolarHBondContact O-N 3.34Å; F362-S365 WeakPolarHBondContact O-CB 3.45Å; F362-S365 PolarHBondContact O-N 3.07Å; F362-M366 WeakPolarHBondContact O-CB 3.5Å; F362-M366 VanDerWaalsContact O-CG 3.25Å; F362-M366 WeakPolarHBondContact O-CG 3.39Å; F362-M366 PolarHBondContact O-N 3.2Å; F362-L404 HydrophobicContact CE1-CD2 4.28Å; F362-L404 HydrophobicContact CZ-CD2 3.81Å; F362-K411 HydrophobicContact CD2-CB 4.42Å; F362-A412 HydrophobicContact CD1-CB 3.88Å; F362-A412 HydrophobicContact CD2-CB 3.88Å; F362-A412 HydrophobicContact CE1-CB 3.77Å; F362-A412 HydrophobicContact CE2-CB 3.77Å; F362-A412 HydrophobicContact CG-CB 3.94Å; F362-A412 HydrophobicContact CZ-CB 3.72Å; F362-A415 HydrophobicContact CB-CB 3.58Å |
| 363 | D | 89.4 | Confident | 88.2 | Confident | 96 Ų | 96 | 44.5 Ų | 44.5 | 51% | 0.513 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.6 | -46.3 | -177 | -57.3 | -49.3 | 0 | 0 | 0 | 112.1 | M366 Q367 A415 | D363-M366 PolarHBondContact O-N 3.44Å; D363-Q367 VanDerWaalsContact O-CG 3.32Å; D363-Q367 WeakPolarHBondContact O-CG 3.41Å; D363-Q367 PolarHBondContact O-N 3.5Å; D363-A415 WeakPolarHBondContact OD1-CB 3.29Å |
| 364 | E | 89.8 | Confident | 87.9 | Confident | 78 Ų | 78 | 44.5 Ų | 44.5 | 36% | 0.364 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.4 | -43.3 | 178.8 | -61.4 | -176.2 | -127.2 | 0 | 0 | 111.7 | L356 R361 F362 M366 Q367 V368 | L356-E364 HydrophobicContact CD1-CB 4.21Å; R361-E364 IonicContact CZ-OE1 3.08Å; R361-E364 VanDerWaalsContact CZ-OE1 3.24Å; R361-E364 IonicContact CZ-OE2 2.68Å; R361-E364 VanDerWaalsContact CZ-OE2 3.27Å; R361-E364 IonicContact NE-OE1 2.66Å; R361-E364 PolarHBondContact NE-OE1 2.86Å; R361-E364 IonicContact NE-OE2 2.85Å; R361-E364 IonicContact NH2-OE1 3.04Å; R361-E364 PolarHBondContact NH2-OE1 3.3Å; R361-E364 IonicContact NH2-OE2 2.67Å; R361-E364 PolarHBondContact NH2-OE2 2.97Å; F362-E364 PolarHBondContact O-N 3.34Å; E364-M366 PolarHBondContact O-N 2.9Å; E364-Q367 PolarHBondContact O-N 3.4Å; E364-V368 WeakPolarHBondContact O-CG2 3.03Å; E364-V368 PolarHBondContact O-N 2.93Å; E364-V368 VanDerWaalsContact O-N 3.1Å |
| 365 | S | 91.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.6 | -48.5 | 174.7 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | A353 F357 R361 F362 Q367 V368 F369 | A353-S365 WeakPolarHBondContact O-CB 3.23Å; A353-S365 PolarHBondContact O-OG 2.96Å; F357-S365 WeakPolarHBondContact CB-OG 3.43Å; R361-S365 WeakPolarHBondContact O-CB 3.34Å; R361-S365 PolarHBondContact O-N 3.43Å; R361-S365 VanDerWaalsContact O-N 3.11Å; F362-S365 WeakPolarHBondContact O-CB 3.45Å; F362-S365 PolarHBondContact O-N 3.07Å; S365-Q367 PolarHBondContact O-N 3.35Å; S365-V368 PolarHBondContact O-N 3.44Å; S365-F369 VanDerWaalsContact O-CD2 3.26Å; S365-F369 WeakPolarHBondContact O-CD2 3.26Å; S365-F369 PolarHBondContact O-N 2.98Å; S365-F369 VanDerWaalsContact OG-CE2 3.23Å; S365-F369 WeakPolarHBondContact OG-CE2 3.27Å |
| 366 | M | 91.6 | Very high | 87.6 | Confident | 8 Ų | 8 | 44 Ų | 44 | 4% | 0.039 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.3 | -37.6 | 179.9 | -68.5 | -57.8 | 131.3 | 0 | 0 | 112.4 | F357 F362 D363 E364 V368 F369 A370 V379 Y383 A415 L416 Y419 | F357-M366 HydrophobicContact CD2-CE 3.75Å; F357-M366 HydrophobicContact CE2-CE 3.96Å; F362-M366 WeakPolarHBondContact O-CB 3.5Å; F362-M366 VanDerWaalsContact O-CG 3.25Å; F362-M366 WeakPolarHBondContact O-CG 3.39Å; F362-M366 PolarHBondContact O-N 3.2Å; D363-M366 PolarHBondContact O-N 3.44Å; E364-M366 PolarHBondContact O-N 2.9Å; M366-V368 VanDerWaalsContact C-N 3.34Å; M366-V368 PolarHBondContact O-N 3.05Å; M366-F369 HydrophobicContact CE-CD2 4.33Å; M366-F369 PolarHBondContact O-N 3.23Å; M366-A370 WeakPolarHBondContact O-CB 3.32Å; M366-A370 PolarHBondContact O-N 3Å; M366-V379 HydrophobicContact CE-CG1 3.82Å; M366-V379 HydrophobicContact SD-CG1 3.53Å; M366-V379 VanDerWaalsContact SD-CG1 3.53Å; M366-Y383 HydrophobicContact CE-CE2 4.12Å; M366-Y383 VanDerWaalsContact CE-OH 3.22Å; M366-Y383 WeakPolarHBondContact CE-OH 3.43Å; M366-A415 HydrophobicContact CG-CB 4Å; M366-L416 HydrophobicContact SD-CD1 4.42Å; M366-Y419 HydrophobicContact SD-CG 4.2Å |
| 367 | Q | 90 | Very high | 87.4 | Confident | 119 Ų | 119 | 44 Ų | 44 | 56% | 0.556 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -62.7 | -40.4 | 174.3 | -72.9 | 175.6 | 21 | 0 | 0 | 112.1 | D363 E364 S365 A370 K371 | D363-Q367 VanDerWaalsContact O-CG 3.32Å; D363-Q367 WeakPolarHBondContact O-CG 3.41Å; D363-Q367 PolarHBondContact O-N 3.5Å; E364-Q367 PolarHBondContact O-N 3.4Å; S365-Q367 PolarHBondContact O-N 3.35Å; Q367-A370 PolarHBondContact O-N 3.15Å; Q367-K371 WeakPolarHBondContact O-CG 3.46Å; Q367-K371 PolarHBondContact O-N 3.01Å; Q367-K371 VanDerWaalsContact O-N 3.14Å |
| 368 | V | 88.2 | Confident | 87.2 | Confident | 27 Ų | 27 | 44 Ų | 44 | 16% | 0.164 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.5 | -47.1 | 176.7 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | A353 L356 E364 S365 M366 A370 K371 L372 | A353-V368 HydrophobicContact CB-CB 3.86Å; A353-V368 HydrophobicContact CB-CG1 3.69Å; L356-V368 HydrophobicContact CD1-CG2 4.24Å; E364-V368 WeakPolarHBondContact O-CG2 3.03Å; E364-V368 PolarHBondContact O-N 2.93Å; E364-V368 VanDerWaalsContact O-N 3.1Å; S365-V368 PolarHBondContact O-N 3.44Å; M366-V368 VanDerWaalsContact C-N 3.34Å; M366-V368 PolarHBondContact O-N 3.05Å; V368-A370 VanDerWaalsContact C-N 3.26Å; V368-A370 PolarHBondContact O-N 3.25Å; V368-K371 PolarHBondContact O-N 3.3Å; V368-L372 HydrophobicContact CG1-CD1 3.88Å; V368-L372 HydrophobicContact CG1-CG 4.34Å; V368-L372 WeakPolarHBondContact O-CG 3.43Å; V368-L372 PolarHBondContact O-N 3.45Å |
| 369 | F | 89.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.8 | -36.6 | 174.7 | -73.3 | -51 | 0 | 0 | 0 | 112.8 | A353 F354 S365 M366 L372 G373 T374 V379 L382 Y419 L443 | A353-F369 HydrophobicContact CB-CD1 3.62Å; A353-F369 HydrophobicContact CB-CD2 4.13Å; A353-F369 HydrophobicContact CB-CE1 3.4Å; A353-F369 VanDerWaalsContact CB-CE1 3.4Å; A353-F369 HydrophobicContact CB-CE2 3.94Å; A353-F369 HydrophobicContact CB-CG 3.98Å; A353-F369 HydrophobicContact CB-CZ 3.58Å; F354-F369 HydrophobicContact CB-CZ 4.35Å; S365-F369 VanDerWaalsContact O-CD2 3.26Å; S365-F369 WeakPolarHBondContact O-CD2 3.26Å; S365-F369 PolarHBondContact O-N 2.98Å; S365-F369 VanDerWaalsContact OG-CE2 3.23Å; S365-F369 WeakPolarHBondContact OG-CE2 3.27Å; M366-F369 HydrophobicContact CE-CD2 4.33Å; M366-F369 PolarHBondContact O-N 3.23Å; F369-L372 PolarHBondContact O-N 3.29Å; F369-G373 PolarHBondContact O-N 3.04Å; F369-T374 HydrophobicContact CD1-CG2 4.08Å; F369-T374 HydrophobicContact CE1-CG2 4.46Å; F369-T374 PolarHBondContact O-N 3.24Å; F369-V379 HydrophobicContact CB-CG2 4.14Å; F369-V379 HydrophobicContact CD1-CG2 4.36Å; F369-V379 HydrophobicContact CD2-CG1 4.41Å; F369-V379 HydrophobicContact CD2-CG2 4.2Å; F369-V379 HydrophobicContact CG-CG2 4Å; F369-L382 HydrophobicContact CE2-CD1 3.93Å; F369-L382 HydrophobicContact CZ-CD1 4.26Å; F369-Y419 HydrophobicContact CB-CE2 4.03Å; F369-L443 HydrophobicContact CE1-CD1 3.53Å; F369-L443 HydrophobicContact CZ-CD1 3.8Å |
| 370 | A | 86.5 | Confident | 87.2 | Confident | 17 Ų | 17 | 37.2 Ų | 37.2 | 14% | 0.14 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.4 | -46.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | M366 Q367 V368 G373 Y419 K423 | M366-A370 WeakPolarHBondContact O-CB 3.32Å; M366-A370 PolarHBondContact O-N 3Å; Q367-A370 PolarHBondContact O-N 3.15Å; V368-A370 VanDerWaalsContact C-N 3.26Å; V368-A370 PolarHBondContact O-N 3.25Å; A370-G373 PolarHBondContact O-N 2.92Å; A370-Y419 HydrophobicContact CB-CD2 4Å; A370-Y419 HydrophobicContact CB-CE2 4.12Å; A370-K423 PolarHBondContact O-NZ 3.06Å; A370-K423 VanDerWaalsContact O-NZ 3.14Å |
| 371 | K | 86.8 | Confident | 87.1 | Confident | 177 Ų | 177 | 32.5 Ų | 32.5 | 77% | 0.77 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -64.6 | -37.8 | 178.2 | -72.6 | 175.5 | -177.7 | 177.8 | 0 | 112.7 | Q367 V368 G373 | Q367-K371 WeakPolarHBondContact O-CG 3.46Å; Q367-K371 PolarHBondContact O-N 3.01Å; Q367-K371 VanDerWaalsContact O-N 3.14Å; V368-K371 PolarHBondContact O-N 3.3Å; K371-G373 VanDerWaalsContact C-N 3.28Å; K371-G373 PolarHBondContact O-N 3.45Å |
| 372 | L | 83.4 | Confident | 86.9 | Confident | 25 Ų | 25 | 27.8 Ų | 27.8 | 13% | 0.131 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -74 | -18.8 | 179.6 | -67.3 | 171.9 | 0 | 0 | 0 | 113.6 | H346 K349 N350 V368 F369 T374 S441 | H346-L372 PolarHBondContact NE2-O 3.37Å; K349-L372 HydrophobicContact CB-CD1 3.75Å; K349-L372 HydrophobicContact CB-CD2 3.58Å; K349-L372 HydrophobicContact CB-CG 4.19Å; K349-L372 HydrophobicContact CD-CD2 3.9Å; K349-L372 HydrophobicContact CG-CD2 4.35Å; N350-L372 VanDerWaalsContact OD1-CD1 3.29Å; N350-L372 WeakPolarHBondContact OD1-CD1 3.07Å; V368-L372 HydrophobicContact CG1-CD1 3.88Å; V368-L372 HydrophobicContact CG1-CG 4.34Å; V368-L372 WeakPolarHBondContact O-CG 3.43Å; V368-L372 PolarHBondContact O-N 3.45Å; F369-L372 PolarHBondContact O-N 3.29Å; L372-T374 PolarHBondContact O-N 3.1Å; L372-S441 PolarHBondContact O-OG 3.07Å |
| 373 | G | 80.2 | Confident | 86.7 | Confident | 21 Ų | 21 | 27.2 Ų | 27.2 | 22% | 0.216 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72 | 21.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F369 A370 K371 S441 | F369-G373 PolarHBondContact O-N 3.04Å; A370-G373 PolarHBondContact O-N 2.92Å; K371-G373 VanDerWaalsContact C-N 3.28Å; K371-G373 PolarHBondContact O-N 3.45Å; G373-S441 PolarHBondContact O-N 2.9Å |
| 374 | T | 83.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | B | Isolated β-bridge | trans | -54.8 | 140.3 | 176.8 | -44.6 | 0 | 0 | 0 | 0 | 110.2 | N350 F369 L372 H378 V379 Y419 S441 L443 | N350-T374 PolarHBondContact OD1-OG1 3.36Å; F369-T374 HydrophobicContact CD1-CG2 4.08Å; F369-T374 HydrophobicContact CE1-CG2 4.46Å; F369-T374 PolarHBondContact O-N 3.24Å; L372-T374 PolarHBondContact O-N 3.1Å; T374-H378 HydrophobicContact CG2-CB 4.43Å; T374-V379 HydrophobicContact CG2-CG2 4.38Å; T374-Y419 PolarHBondContact O-OH 2.84Å; T374-S441 CarbonylContact C-O 3.51Å; T374-S441 WeakPolarHBondContact CA-O 3.3Å; T374-L443 HydrophobicContact CG2-CB 4.23Å; T374-L443 HydrophobicContact CG2-CD1 4.38Å |
| 375 | D | 82.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -59.1 | 128.2 | -178.5 | -168.7 | -77.1 | 0 | 0 | 0 | 111.5 | T377 H378 V379 T440 S441 T449 | D375-T377 PolarHBondContact O-N 3.5Å; D375-T377 VanDerWaalsContact O-N 3.11Å; D375-T377 VanDerWaalsContact OD1-CB 3.3Å; D375-T377 WeakPolarHBondContact OD1-CB 3.46Å; D375-T377 WeakPolarHBondContact OD1-CG2 3.32Å; D375-T377 PolarHBondContact OD1-N 2.89Å; D375-T377 PolarHBondContact OD1-OG1 2.91Å; D375-H378 WeakPolarHBondContact O-CB 3.49Å; D375-H378 PolarHBondContact O-N 2.92Å; D375-V379 PolarHBondContact O-N 3.2Å; D375-T440 WeakPolarHBondContact OD2-CB 3.4Å; D375-T440 PolarHBondContact OD2-OG1 3.12Å; D375-S441 PolarHBondContact N-O 2.85Å; D375-T449 HydrophobicContact CB-CG2 4.11Å | ||
| 376 | P | 85.5 | Confident | 85.6 | Confident | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.019 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.1 | -29.5 | -177.6 | -27.3 | 35 | 0 | 0 | 0 | 114 | H378 V379 M380 Y419 L420 L456 I460 | P376-H378 VanDerWaalsContact C-N 3.3Å; P376-H378 PolarHBondContact O-N 2.83Å; P376-V379 PolarHBondContact O-N 3.17Å; P376-M380 HydrophobicContact CB-SD 4.41Å; P376-M380 WeakPolarHBondContact O-CB 3.36Å; P376-M380 WeakPolarHBondContact O-CG 3.09Å; P376-M380 PolarHBondContact O-N 3.26Å; P376-Y419 HydrophobicContact CB-CE1 4.29Å; P376-L420 HydrophobicContact CB-CD2 4.4Å; P376-L456 HydrophobicContact CB-CD1 4.26Å; P376-L456 HydrophobicContact CG-CD1 4.23Å; P376-L456 HydrophobicContact CG-CD2 4.36Å; P376-I460 HydrophobicContact CB-CD1 4.32Å; P376-I460 HydrophobicContact CB-CG1 4.37Å; P376-I460 HydrophobicContact CG-CD1 4.25Å |
| 377 | T | 85.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.8 | -33.7 | 179.4 | 63.9 | 0 | 0 | 0 | 0 | 112.3 | D375 M380 G381 L387 I450 L456 | D375-T377 PolarHBondContact O-N 3.5Å; D375-T377 VanDerWaalsContact O-N 3.11Å; D375-T377 VanDerWaalsContact OD1-CB 3.3Å; D375-T377 WeakPolarHBondContact OD1-CB 3.46Å; D375-T377 WeakPolarHBondContact OD1-CG2 3.32Å; D375-T377 PolarHBondContact OD1-N 2.89Å; D375-T377 PolarHBondContact OD1-OG1 2.91Å; T377-M380 PolarHBondContact O-N 2.66Å; T377-G381 PolarHBondContact O-N 3.01Å; T377-L387 WeakPolarHBondContact O-CD1 3.47Å; T377-I450 HydrophobicContact CG2-CD1 3.68Å; T377-I450 HydrophobicContact CG2-CG1 4.11Å; T377-L456 HydrophobicContact CG2-CD1 4.02Å |
| 378 | H | 84.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.4 | -41.9 | 176 | -75.7 | -103.4 | 0 | 0 | 0 | 111.2 | T374 D375 P376 G381 Y397 L443 T447 P448 | T374-H378 HydrophobicContact CG2-CB 4.43Å; D375-H378 WeakPolarHBondContact O-CB 3.49Å; D375-H378 PolarHBondContact O-N 2.92Å; P376-H378 VanDerWaalsContact C-N 3.3Å; P376-H378 PolarHBondContact O-N 2.83Å; H378-G381 PolarHBondContact O-N 3.44Å; H378-Y397 PolarHBondContact O-OH 2.98Å; H378-L443 HydrophobicContact CB-CB 3.94Å; H378-L443 WeakPolarHBondContact ND1-CB 3.32Å; H378-L443 PolarHBondContact ND1-N 3.41Å; H378-T447 PolarHBondContact CE1-OG1 3.48Å; H378-P448 PolarHBondContact NE2-O 2.95Å |
| 379 | V | 87.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.5 | -43.4 | 176.8 | -177.5 | 0 | 0 | 0 | 0 | 110.8 | M366 F369 T374 D375 P376 G381 L382 Y383 L416 Y419 | M366-V379 HydrophobicContact CE-CG1 3.82Å; M366-V379 HydrophobicContact SD-CG1 3.53Å; M366-V379 VanDerWaalsContact SD-CG1 3.53Å; F369-V379 HydrophobicContact CB-CG2 4.14Å; F369-V379 HydrophobicContact CD1-CG2 4.36Å; F369-V379 HydrophobicContact CD2-CG1 4.41Å; F369-V379 HydrophobicContact CD2-CG2 4.2Å; F369-V379 HydrophobicContact CG-CG2 4Å; T374-V379 HydrophobicContact CG2-CG2 4.38Å; D375-V379 PolarHBondContact O-N 3.2Å; P376-V379 PolarHBondContact O-N 3.17Å; V379-G381 VanDerWaalsContact C-N 3.3Å; V379-G381 PolarHBondContact O-N 3.28Å; V379-L382 VanDerWaalsContact O-CB 3.25Å; V379-L382 WeakPolarHBondContact O-CB 3.13Å; V379-L382 VanDerWaalsContact O-CG 3.32Å; V379-L382 WeakPolarHBondContact O-CG 3.48Å; V379-L382 PolarHBondContact O-N 3.14Å; V379-L382 VanDerWaalsContact O-N 3.13Å; V379-Y383 WeakPolarHBondContact O-CD2 3.49Å; V379-L416 HydrophobicContact CG1-CD1 4.1Å; V379-Y419 HydrophobicContact CB-CE1 4.14Å; V379-Y419 HydrophobicContact CG1-CD1 4.25Å; V379-Y419 HydrophobicContact CG1-CE1 4.09Å; V379-Y419 HydrophobicContact CG2-CE1 4.21Å |
| 380 | M | 87.4 | Confident | 83.7 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.3 | -33.2 | 177.1 | -70.5 | 164.4 | 51.4 | 0 | 0 | 112.4 | P376 T377 L382 Y383 L387 L420 I459 T463 | P376-M380 HydrophobicContact CB-SD 4.41Å; P376-M380 WeakPolarHBondContact O-CB 3.36Å; P376-M380 WeakPolarHBondContact O-CG 3.09Å; P376-M380 PolarHBondContact O-N 3.26Å; T377-M380 PolarHBondContact O-N 2.66Å; M380-L382 PolarHBondContact O-N 3.43Å; M380-Y383 PolarHBondContact O-N 3.08Å; M380-Y383 VanDerWaalsContact O-N 3.1Å; M380-L387 HydrophobicContact CB-CD1 4.16Å; M380-L387 HydrophobicContact CB-CG 4.24Å; M380-L387 HydrophobicContact CE-CD2 3.72Å; M380-L387 HydrophobicContact CE-CG 4.39Å; M380-L420 HydrophobicContact CG-CD2 4.13Å; M380-L420 HydrophobicContact SD-CD2 3.93Å; M380-I459 HydrophobicContact CE-CG2 3.29Å; M380-I459 HydrophobicContact SD-CG2 4.08Å; M380-T463 HydrophobicContact CE-CG2 3.72Å; M380-T463 WeakPolarHBondContact CE-OG1 2.87Å; M380-T463 HydrophobicContact CG-CG2 4.35Å; M380-T463 HydrophobicContact SD-CG2 4.45Å |
| 381 | G | 84.8 | Confident | 83.5 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -9.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T377 H378 V379 Y383 R392 Y397 | T377-G381 PolarHBondContact O-N 3.01Å; H378-G381 PolarHBondContact O-N 3.44Å; V379-G381 VanDerWaalsContact C-N 3.3Å; V379-G381 PolarHBondContact O-N 3.28Å; G381-Y383 PolarHBondContact O-N 2.95Å; G381-R392 PolarHBondContact O-NH1 3.44Å; G381-R392 PolarHBondContact O-NH2 2.83Å; G381-Y397 WeakPolarHBondContact CA-OH 3.43Å; G381-Y397 PolarHBondContact O-OH 3.11Å |
| 382 | L | 85.9 | Confident | 83.2 | Confident | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -22.9 | 169.9 | -57.6 | 174.9 | 0 | 0 | 0 | 112.2 | F354 F357 F369 V379 M380 Y397 L401 | F354-L382 HydrophobicContact CD2-CD2 3.82Å; F354-L382 HydrophobicContact CE2-CD2 3.66Å; F357-L382 HydrophobicContact CD1-CB 4.29Å; F357-L382 HydrophobicContact CD1-CD1 4.22Å; F357-L382 HydrophobicContact CD2-CD1 3.91Å; F357-L382 HydrophobicContact CE1-CB 3.74Å; F357-L382 HydrophobicContact CE1-CD1 4.45Å; F357-L382 HydrophobicContact CE2-CB 4.08Å; F357-L382 HydrophobicContact CE2-CD1 4.15Å; F357-L382 HydrophobicContact CG-CD1 3.95Å; F357-L382 HydrophobicContact CZ-CB 3.61Å; F357-L382 HydrophobicContact CZ-CD1 4.41Å; F369-L382 HydrophobicContact CE2-CD1 3.93Å; F369-L382 HydrophobicContact CZ-CD1 4.26Å; V379-L382 VanDerWaalsContact O-CB 3.25Å; V379-L382 WeakPolarHBondContact O-CB 3.13Å; V379-L382 VanDerWaalsContact O-CG 3.32Å; V379-L382 WeakPolarHBondContact O-CG 3.48Å; V379-L382 PolarHBondContact O-N 3.14Å; V379-L382 VanDerWaalsContact O-N 3.13Å; M380-L382 PolarHBondContact O-N 3.43Å; L382-Y397 HydrophobicContact CD2-CD1 3.71Å; L382-Y397 HydrophobicContact CD2-CE1 3.4Å; L382-Y397 VanDerWaalsContact CD2-CE1 3.4Å; L382-Y397 HydrophobicContact CG-CE1 4.27Å; L382-L401 HydrophobicContact CD2-CD2 3.53Å |
| 383 | Y | 86.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -104.6 | 131.7 | -170.9 | -65.8 | -100.3 | 0 | 0 | 0 | 112.2 | F357 M366 V379 M380 G381 L386 R392 A412 L416 | F357-Y383 HydrophobicContact CE2-CE1 4.29Å; F357-Y383 AromaticContact CE2-CE2 3.85Å; F357-Y383 HydrophobicContact CE2-CE2 3.85Å; F357-Y383 AromaticContact CE2-CZ 3.65Å; F357-Y383 HydrophobicContact CZ-CE1 4.46Å; F357-Y383 HydrophobicContact CZ-CE2 4.21Å; M366-Y383 HydrophobicContact CE-CE2 4.12Å; M366-Y383 VanDerWaalsContact CE-OH 3.22Å; M366-Y383 WeakPolarHBondContact CE-OH 3.43Å; V379-Y383 WeakPolarHBondContact O-CD2 3.49Å; M380-Y383 PolarHBondContact O-N 3.08Å; M380-Y383 VanDerWaalsContact O-N 3.1Å; G381-Y383 PolarHBondContact O-N 2.95Å; Y383-L386 HydrophobicContact CD1-CD1 4.4Å; Y383-L386 HydrophobicContact CD2-CD1 4.41Å; Y383-L386 HydrophobicContact CG-CD1 3.85Å; Y383-R392 PolarHBondContact O-NH1 2.94Å; Y383-A412 HydrophobicContact CD1-CB 4.25Å; Y383-A412 VanDerWaalsContact CE1-C 3.49Å; Y383-A412 HydrophobicContact CE1-CB 3.47Å; Y383-A412 VanDerWaalsContact CE1-CB 3.47Å; Y383-A412 WeakPolarHBondContact CE1-O 3.42Å; Y383-A412 PolarHBondContact OH-O 3.37Å; Y383-A412 VanDerWaalsContact OH-O 3.07Å; Y383-L416 HydrophobicContact CD1-CD2 4.2Å; Y383-L416 HydrophobicContact CD2-CD1 4.44Å; Y383-L416 HydrophobicContact CD2-CD2 3.8Å; Y383-L416 HydrophobicContact CE1-CB 4.13Å; Y383-L416 HydrophobicContact CE1-CD2 4.17Å; Y383-L416 HydrophobicContact CE2-CB 4.2Å; Y383-L416 HydrophobicContact CE2-CD1 3.84Å; Y383-L416 HydrophobicContact CE2-CD2 3.8Å; Y383-L416 HydrophobicContact CE2-CG 4.15Å; Y383-L416 HydrophobicContact CG-CD2 4.02Å |
| 384 | P | 82.6 | Confident | 83.3 | Confident | 43 Ų | 43 | 41.7 Ų | 41.7 | 28% | 0.279 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 148.2 | -179.6 | 27.5 | -34.3 | 0 | 0 | 0 | 112 | L386 L409 | P384-L386 PolarHBondContact O-N 2.96Å; P384-L409 HydrophobicContact CG-CD1 3.95Å |
| 385 | D | 80.2 | Confident | 83.2 | Confident | 138 Ų | 138 | 42.2 Ų | 42.2 | 74% | 0.738 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 7.1 | 169.9 | -53 | -31.8 | 0 | 0 | 0 | 118.6 | ||
| 386 | L | 83.7 | Confident | 83 | Confident | 9 Ų | 9 | 48 Ų | 48 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -81.1 | -39.1 | 176.2 | -63.2 | -170.5 | 0 | 0 | 0 | 113.2 | Y383 P384 L416 T463 K466 | Y383-L386 HydrophobicContact CD1-CD1 4.4Å; Y383-L386 HydrophobicContact CD2-CD1 4.41Å; Y383-L386 HydrophobicContact CG-CD1 3.85Å; P384-L386 PolarHBondContact O-N 2.96Å; L386-L416 HydrophobicContact CD1-CD2 3.46Å; L386-L416 VanDerWaalsContact CD1-CD2 3.46Å; L386-T463 HydrophobicContact CB-CG2 4.08Å; L386-T463 HydrophobicContact CD1-CG2 3.73Å; L386-T463 HydrophobicContact CD2-CG2 4.25Å; L386-T463 HydrophobicContact CG-CG2 4.24Å; L386-K466 HydrophobicContact CD2-CB 4.11Å; L386-K466 HydrophobicContact CD2-CD 4.4Å; L386-K466 PolarHBondContact O-NZ 3.21Å |
| 387 | L | 81.9 | Confident | 82.8 | Confident | 13 Ų | 13 | 49.8 Ų | 49.8 | 7% | 0.068 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -104.2 | 152.6 | 179.4 | -70.9 | 176.9 | 0 | 0 | 0 | 111.7 | T377 M380 T389 Y391 L395 I459 | T377-L387 WeakPolarHBondContact O-CD1 3.47Å; M380-L387 HydrophobicContact CB-CD1 4.16Å; M380-L387 HydrophobicContact CB-CG 4.24Å; M380-L387 HydrophobicContact CE-CD2 3.72Å; M380-L387 HydrophobicContact CE-CG 4.39Å; L387-T389 PolarHBondContact O-N 3.05Å; L387-Y391 HydrophobicContact CD1-CD1 4.27Å; L387-L395 HydrophobicContact CD1-CD1 4.05Å; L387-I459 HydrophobicContact CD2-CG2 4.15Å |
| 388 | P | 80 | Confident | 82.4 | Confident | 89 Ų | 89 | 51.9 Ų | 51.9 | 58% | 0.578 | 27% | 0.265 | S | S | * | . | trans | -53 | 136.5 | 170.9 | -24.9 | 34.2 | 0 | 0 | 0 | 111.8 | D390 Y391 R392 | P388-D390 VanDerWaalsContact C-N 3.25Å; P388-D390 PolarHBondContact O-N 2.71Å; P388-Y391 PolarHBondContact O-N 3.41Å; P388-Y391 VanDerWaalsContact O-N 3.11Å; P388-R392 PolarHBondContact O-N 3.42Å | ||
| 389 | T | 79.1 | Confident | 82.1 | Confident | 91 Ų | 91 | 55.5 Ų | 55.5 | 56% | 0.558 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -56.8 | -37.4 | -174.2 | 43.2 | 0 | 0 | 0 | 0 | 113.3 | L387 K393 | L387-T389 PolarHBondContact O-N 3.05Å; T389-K393 WeakPolarHBondContact O-CG 3.13Å; T389-K393 PolarHBondContact O-N 3.37Å |
| 390 | D | 79.6 | Confident | 81.7 | Confident | 110 Ų | 110 | 61 Ų | 61 | 59% | 0.588 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -71.6 | -34.3 | -177.9 | -59.5 | -29.5 | 0 | 0 | 0 | 112.3 | P388 Q394 | P388-D390 VanDerWaalsContact C-N 3.25Å; P388-D390 PolarHBondContact O-N 2.71Å; D390-Q394 WeakPolarHBondContact O-CG 3.48Å; D390-Q394 PolarHBondContact O-NE2 3.43Å |
| 391 | Y | 80.9 | Confident | 81.5 | Confident | 48 Ų | 48 | 63.2 Ų | 63.2 | 19% | 0.188 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -76.1 | -41.2 | 175.8 | -171.4 | -102.8 | 0 | 0 | 0 | 111.2 | L387 P388 K393 Q394 L395 | L387-Y391 HydrophobicContact CD1-CD1 4.27Å; P388-Y391 PolarHBondContact O-N 3.41Å; P388-Y391 VanDerWaalsContact O-N 3.11Å; Y391-K393 VanDerWaalsContact C-N 3.26Å; Y391-K393 PolarHBondContact O-N 3.49Å; Y391-Q394 WeakPolarHBondContact O-CB 3.37Å; Y391-Q394 PolarHBondContact O-N 3.43Å; Y391-L395 HydrophobicContact CE1-CD1 4.5Å; Y391-L395 HydrophobicContact CE1-CD2 4.45Å |
| 392 | R | 81.1 | Confident | 81.4 | Confident | 56 Ų | 56 | 64.8 Ų | 64.8 | 21% | 0.211 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -56.8 | -39.6 | 176.4 | -171.4 | -166.7 | -175.6 | 84.1 | -2 | 112 | G381 Y383 P388 Q394 L395 | G381-R392 PolarHBondContact O-NH1 3.44Å; G381-R392 PolarHBondContact O-NH2 2.83Å; Y383-R392 PolarHBondContact O-NH1 2.94Å; P388-R392 PolarHBondContact O-N 3.42Å; R392-Q394 PolarHBondContact O-N 2.64Å; R392-L395 WeakPolarHBondContact O-CB 3.29Å; R392-L395 PolarHBondContact O-N 3.39Å; R392-L395 VanDerWaalsContact O-N 3.14Å |
| 393 | K | 82.1 | Confident | 81.1 | Confident | 166 Ų | 166 | 71.3 Ų | 71.3 | 72% | 0.722 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -20.1 | 177.9 | -74.8 | 172.5 | -176.9 | 174.3 | 0 | 114 | T389 Y391 L395 | T389-K393 WeakPolarHBondContact O-CG 3.13Å; T389-K393 PolarHBondContact O-N 3.37Å; Y391-K393 VanDerWaalsContact C-N 3.26Å; Y391-K393 PolarHBondContact O-N 3.49Å; K393-L395 VanDerWaalsContact C-N 3.34Å |
| 394 | Q | 82.9 | Confident | 80.9 | Confident | 108 Ų | 108 | 72 Ų | 72 | 51% | 0.505 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -15.2 | 177.3 | -61.5 | 168.9 | 25.1 | 0 | 0 | 112.4 | D390 Y391 R392 | D390-Q394 WeakPolarHBondContact O-CG 3.48Å; D390-Q394 PolarHBondContact O-NE2 3.43Å; Y391-Q394 WeakPolarHBondContact O-CB 3.37Å; Y391-Q394 PolarHBondContact O-N 3.43Å; R392-Q394 PolarHBondContact O-N 2.64Å |
| 395 | L | 81.7 | Confident | 80.8 | Confident | 12 Ų | 12 | 73.8 Ų | 73.8 | 6% | 0.063 | 40% | 0.399 | C | S | . | . | trans | -83.2 | 130.8 | 178.9 | -59.2 | 174.7 | 0 | 0 | 0 | 110 | L387 Y391 R392 K393 Y397 | L387-L395 HydrophobicContact CD1-CD1 4.05Å; Y391-L395 HydrophobicContact CE1-CD1 4.5Å; Y391-L395 HydrophobicContact CE1-CD2 4.45Å; R392-L395 WeakPolarHBondContact O-CB 3.29Å; R392-L395 PolarHBondContact O-N 3.39Å; R392-L395 VanDerWaalsContact O-N 3.14Å; K393-L395 VanDerWaalsContact C-N 3.34Å; L395-Y397 HydrophobicContact CB-CE2 3.87Å; L395-Y397 WeakPolarHBondContact CD1-OH 3.49Å | ||
| 396 | Q | 78.5 | Confident | 81 | Confident | 122 Ų | 122 | 70.1 Ų | 70.1 | 57% | 0.57 | 39% | 0.393 | S | S | * | . | trans | -104.4 | 139.2 | 176.4 | -67.4 | -177.2 | 0 | 0 | 0 | 110.3 | M444 T447 | Q396-M444 HydrophobicContact CB-SD 3.94Å; Q396-T447 HydrophobicContact CB-CG2 4.12Å; Q396-T447 HydrophobicContact CG-CG2 4.5Å | ||
| 397 | Y | 82.2 | Confident | 80.9 | Confident | 40 Ų | 40 | 72.8 Ų | 72.8 | 16% | 0.157 | 42% | 0.417 | C | S | . | . | trans | -127.5 | 146.5 | -179.6 | -64.5 | -72.5 | 0 | 0 | 0 | 110.7 | F354 H378 G381 L382 L395 N399 L401 L443 | F354-Y397 HydrophobicContact CD2-CD1 4.25Å; F354-Y397 AromaticContact CE2-CD1 3.77Å; F354-Y397 HydrophobicContact CE2-CD1 3.77Å; F354-Y397 HydrophobicContact CE2-CG 4.13Å; H378-Y397 PolarHBondContact O-OH 2.98Å; G381-Y397 WeakPolarHBondContact CA-OH 3.43Å; G381-Y397 PolarHBondContact O-OH 3.11Å; L382-Y397 HydrophobicContact CD2-CD1 3.71Å; L382-Y397 HydrophobicContact CD2-CE1 3.4Å; L382-Y397 VanDerWaalsContact CD2-CE1 3.4Å; L382-Y397 HydrophobicContact CG-CE1 4.27Å; L395-Y397 HydrophobicContact CB-CE2 3.87Å; L395-Y397 WeakPolarHBondContact CD1-OH 3.49Å; Y397-N399 VanDerWaalsContact C-N 3.31Å; Y397-N399 PolarHBondContact O-N 3.27Å; Y397-L401 HydrophobicContact CD1-CD2 4.38Å; Y397-L401 HydrophobicContact CD2-CD1 4.06Å; Y397-L401 HydrophobicContact CD2-CD2 4.17Å; Y397-L401 HydrophobicContact CD2-CG 4.22Å; Y397-L401 HydrophobicContact CE2-CD1 4.06Å; Y397-L401 HydrophobicContact CG-CD2 4.07Å; Y397-L443 HydrophobicContact CD1-CD2 3.97Å; Y397-L443 HydrophobicContact CE1-CD2 4.43Å | ||
| 398 | P | 77.3 | Confident | 81.1 | Confident | 44 Ų | 44 | 75.5 Ų | 75.5 | 29% | 0.286 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -60.7 | -34.2 | -176.7 | -25.3 | 33.5 | 0 | 0 | 0 | 114.7 | L351 F354 L443 M444 | L351-P398 HydrophobicContact CD2-CB 3.89Å; L351-P398 HydrophobicContact CD2-CG 3.54Å; F354-P398 HydrophobicContact CD1-CB 4.29Å; F354-P398 HydrophobicContact CD1-CG 4.15Å; F354-P398 HydrophobicContact CE1-CB 4.27Å; F354-P398 HydrophobicContact CE1-CG 4.42Å; F354-P398 HydrophobicContact CG-CG 4.43Å; P398-L443 HydrophobicContact CG-CD2 4.35Å; P398-M444 HydrophobicContact CG-SD 4.45Å |
| 399 | N | 77.8 | Confident | 81.4 | Confident | 75 Ų | 75 | 72.8 Ų | 72.8 | 40% | 0.401 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -135.2 | 162.2 | 176.8 | -63.7 | -57.4 | 0 | 0 | 0 | 110.1 | F354 Y397 L401 | F354-N399 HydrophobicContact CE1-CB 3.91Å; F354-N399 HydrophobicContact CZ-CB 4.46Å; F354-N399 WeakPolarHBondContact CZ-O 3.47Å; Y397-N399 VanDerWaalsContact C-N 3.31Å; Y397-N399 PolarHBondContact O-N 3.27Å; N399-L401 PolarHBondContact O-N 3.15Å |
| 400 | P | 79.6 | Confident | 81.8 | Confident | 117 Ų | 117 | 73 Ų | 73 | 76% | 0.76 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 137.3 | 172 | 22.2 | -34.3 | 0 | 0 | 0 | 111.5 | ||
| 401 | L | 82.7 | Confident | 82.1 | Confident | 45 Ų | 45 | 74.6 Ų | 74.6 | 24% | 0.236 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 143.3 | -179.8 | -64.1 | 174.6 | 0 | 0 | 0 | 110.9 | F354 L382 Y397 N399 | F354-L401 HydrophobicContact CE2-CD2 3.75Å; F354-L401 HydrophobicContact CZ-CD2 4.11Å; L382-L401 HydrophobicContact CD2-CD2 3.53Å; Y397-L401 HydrophobicContact CD1-CD2 4.38Å; Y397-L401 HydrophobicContact CD2-CD1 4.06Å; Y397-L401 HydrophobicContact CD2-CD2 4.17Å; Y397-L401 HydrophobicContact CD2-CG 4.22Å; Y397-L401 HydrophobicContact CE2-CD1 4.06Å; Y397-L401 HydrophobicContact CG-CD2 4.07Å; N399-L401 PolarHBondContact O-N 3.15Å |
| 402 | P | 82.1 | Confident | 82.5 | Confident | 34 Ų | 34 | 72.3 Ų | 72.3 | 22% | 0.221 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 143.2 | 173.8 | 28.9 | -34.5 | 0 | 0 | 0 | 110.7 | F357 L404 | F357-P402 HydrophobicContact CD1-CG 4.16Å; F357-P402 HydrophobicContact CE1-CG 3.92Å; P402-L404 HydrophobicContact CB-CD2 4.47Å; P402-L404 HydrophobicContact CG-CD2 4.34Å; P402-L404 PolarHBondContact O-N 3.35Å |
| 403 | V | 81.1 | Confident | 82.9 | Confident | 137 Ų | 137 | 69.8 Ų | 69.8 | 83% | 0.83 | 39% | 0.388 | S | S | * | . | trans | -77.7 | 111.2 | 172 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 404 | L | 82.5 | Confident | 83.3 | Confident | 14 Ų | 14 | 65.9 Ų | 65.9 | 7% | 0.073 | 37% | 0.374 | C | S | . | . | trans | -98.8 | 128.5 | -179.4 | -60.1 | 175.5 | 0 | 0 | 0 | 110 | F357 F362 P402 L409 A412 | F357-L404 HydrophobicContact CE1-CD1 4.34Å; F357-L404 HydrophobicContact CZ-CD1 3.91Å; F362-L404 HydrophobicContact CE1-CD2 4.28Å; F362-L404 HydrophobicContact CZ-CD2 3.81Å; P402-L404 HydrophobicContact CB-CD2 4.47Å; P402-L404 HydrophobicContact CG-CD2 4.34Å; P402-L404 PolarHBondContact O-N 3.35Å; L404-L409 HydrophobicContact CB-CB 4.3Å; L404-L409 HydrophobicContact CB-CD1 3.92Å; L404-L409 HydrophobicContact CD1-CD1 4.39Å; L404-A412 HydrophobicContact CD1-CB 4.25Å | ||
| 405 | S | 80.7 | Confident | 83.6 | Confident | 82 Ų | 82 | 60.8 Ų | 60.8 | 57% | 0.573 | 35% | 0.351 | S | S | * | . | trans | -146.6 | 152.7 | 175.5 | 66.3 | 0 | 0 | 0 | 0 | 112.5 | A407 E408 | S405-A407 PolarHBondContact O-N 3.03Å; S405-E408 PolarHBondContact O-N 3.45Å | ||
| 406 | G | 83.3 | Confident | 84.1 | Confident | 60 Ų | 60 | 60.2 Ų | 60.2 | 62% | 0.619 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.2 | -131 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | E408 L409 E410 | G406-E408 PolarHBondContact O-N 3.25Å; G406-L409 WeakPolarHBondContact O-CB 3.4Å; G406-L409 PolarHBondContact O-N 3.26Å; G406-L409 VanDerWaalsContact O-N 3.14Å; G406-E410 PolarHBondContact O-N 3.2Å |
| 407 | A | 82.8 | Confident | 84.8 | Confident | 66 Ų | 66 | 55 Ų | 55 | 55% | 0.545 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.1 | -26.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | S405 E410 K411 | S405-A407 PolarHBondContact O-N 3.03Å; A407-E410 PolarHBondContact O-N 3.5Å; A407-K411 PolarHBondContact O-N 3.11Å; A407-K411 VanDerWaalsContact O-N 3.1Å |
| 408 | E | 85 | Confident | 85.1 | Confident | 69 Ų | 69 | 58.4 Ų | 58.4 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.7 | -39.7 | 176.5 | -59.1 | -170.9 | 163.3 | 0 | 0 | 111.2 | K360 S405 G406 E410 K411 A412 | K360-E408 WeakPolarHBondContact CE-OE2 3.38Å; K360-E408 IonicContact NZ-OE1 3.89Å; K360-E408 PolarHBondContact NZ-OE1 3.46Å; K360-E408 IonicContact NZ-OE2 2.65Å; K360-E408 PolarHBondContact NZ-OE2 3.1Å; S405-E408 PolarHBondContact O-N 3.45Å; G406-E408 PolarHBondContact O-N 3.25Å; E408-E410 VanDerWaalsContact C-N 3.34Å; E408-K411 PolarHBondContact O-N 3.31Å; E408-A412 WeakPolarHBondContact O-CB 3.42Å; E408-A412 PolarHBondContact O-N 3.05Å |
| 409 | L | 86.8 | Confident | 85.8 | Confident | 33 Ų | 33 | 56.6 Ų | 56.6 | 17% | 0.173 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.1 | -38.2 | 176.7 | -176.6 | 64.8 | 0 | 0 | 0 | 110.7 | P384 L404 G406 A412 H413 | P384-L409 HydrophobicContact CG-CD1 3.95Å; L404-L409 HydrophobicContact CB-CB 4.3Å; L404-L409 HydrophobicContact CB-CD1 3.92Å; L404-L409 HydrophobicContact CD1-CD1 4.39Å; G406-L409 WeakPolarHBondContact O-CB 3.4Å; G406-L409 PolarHBondContact O-N 3.26Å; G406-L409 VanDerWaalsContact O-N 3.14Å; L409-A412 PolarHBondContact O-N 3.46Å; L409-H413 VanDerWaalsContact CD1-CE1 3.42Å; L409-H413 WeakPolarHBondContact CD1-CE1 3.47Å; L409-H413 WeakPolarHBondContact CG-CE1 3.39Å; L409-H413 PolarHBondContact O-N 3.16Å; L409-H413 PolarHBondContact O-ND1 3.35Å |
| 410 | E | 86.9 | Confident | 86.4 | Confident | 94 Ų | 94 | 53 Ų | 53 | 44% | 0.439 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.3 | -48.6 | 175.1 | -165.3 | -176.1 | 167.5 | 0 | 0 | 112.1 | G406 A407 E408 A412 H413 L414 T471 | G406-E410 PolarHBondContact O-N 3.2Å; A407-E410 PolarHBondContact O-N 3.5Å; E408-E410 VanDerWaalsContact C-N 3.34Å; E410-A412 VanDerWaalsContact C-N 3.31Å; E410-A412 PolarHBondContact O-N 3.19Å; E410-H413 PolarHBondContact O-N 2.83Å; E410-H413 VanDerWaalsContact O-N 3.16Å; E410-L414 WeakPolarHBondContact O-CG 3.2Å; E410-L414 PolarHBondContact O-N 2.86Å; E410-T471 HydrophobicContact CG-CG2 4.01Å |
| 411 | K | 87.5 | Confident | 86.9 | Confident | 144 Ų | 144 | 50.4 Ų | 50.4 | 63% | 0.626 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -59 | -42.4 | 175 | -73.6 | -177.9 | 179.9 | -177.9 | 0 | 112.2 | F362 A407 E408 H413 L414 A415 | F362-K411 HydrophobicContact CD2-CB 4.42Å; A407-K411 PolarHBondContact O-N 3.11Å; A407-K411 VanDerWaalsContact O-N 3.1Å; E408-K411 PolarHBondContact O-N 3.31Å; K411-H413 VanDerWaalsContact C-N 3.35Å; K411-L414 PolarHBondContact O-N 3.46Å; K411-A415 PolarHBondContact O-N 3.43Å |
| 412 | A | 88.2 | Confident | 87.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | F362 Y383 L404 E408 L409 E410 L414 A415 L416 | F362-A412 HydrophobicContact CD1-CB 3.88Å; F362-A412 HydrophobicContact CD2-CB 3.88Å; F362-A412 HydrophobicContact CE1-CB 3.77Å; F362-A412 HydrophobicContact CE2-CB 3.77Å; F362-A412 HydrophobicContact CG-CB 3.94Å; F362-A412 HydrophobicContact CZ-CB 3.72Å; Y383-A412 HydrophobicContact CD1-CB 4.25Å; Y383-A412 VanDerWaalsContact CE1-C 3.49Å; Y383-A412 HydrophobicContact CE1-CB 3.47Å; Y383-A412 VanDerWaalsContact CE1-CB 3.47Å; Y383-A412 WeakPolarHBondContact CE1-O 3.42Å; Y383-A412 PolarHBondContact OH-O 3.37Å; Y383-A412 VanDerWaalsContact OH-O 3.07Å; L404-A412 HydrophobicContact CD1-CB 4.25Å; E408-A412 WeakPolarHBondContact O-CB 3.42Å; E408-A412 PolarHBondContact O-N 3.05Å; L409-A412 PolarHBondContact O-N 3.46Å; E410-A412 VanDerWaalsContact C-N 3.31Å; E410-A412 PolarHBondContact O-N 3.19Å; A412-L414 VanDerWaalsContact C-N 3.34Å; A412-L414 PolarHBondContact O-N 3.46Å; A412-A415 PolarHBondContact O-N 2.91Å; A412-L416 PolarHBondContact O-N 3.21Å |
| 413 | H | 89.8 | Confident | 87.4 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.019 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.1 | -36.7 | 176.5 | -75.7 | 114.9 | 0 | 0 | 0 | 112.9 | L409 E410 K411 L416 I417 C467 T471 | L409-H413 VanDerWaalsContact CD1-CE1 3.42Å; L409-H413 WeakPolarHBondContact CD1-CE1 3.47Å; L409-H413 WeakPolarHBondContact CG-CE1 3.39Å; L409-H413 PolarHBondContact O-N 3.16Å; L409-H413 PolarHBondContact O-ND1 3.35Å; E410-H413 PolarHBondContact O-N 2.83Å; E410-H413 VanDerWaalsContact O-N 3.16Å; K411-H413 VanDerWaalsContact C-N 3.35Å; H413-L416 PolarHBondContact O-N 2.9Å; H413-I417 WeakPolarHBondContact O-CD1 3.33Å; H413-I417 VanDerWaalsContact O-CG1 3.23Å; H413-I417 WeakPolarHBondContact O-CG1 3.28Å; H413-I417 PolarHBondContact O-N 3.41Å; H413-C467 VanDerWaalsContact CD2-SG 3.58Å; H413-T471 HydrophobicContact CB-CG2 3.57Å |
| 414 | L | 90.3 | Very high | 87.8 | Confident | 83 Ų | 83 | 47.7 Ų | 47.7 | 44% | 0.435 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.9 | -48.1 | 175.2 | -69.8 | 172.7 | 0 | 0 | 0 | 111.4 | E410 K411 A412 L416 I417 D418 T471 | E410-L414 WeakPolarHBondContact O-CG 3.2Å; E410-L414 PolarHBondContact O-N 2.86Å; K411-L414 PolarHBondContact O-N 3.46Å; A412-L414 VanDerWaalsContact C-N 3.34Å; A412-L414 PolarHBondContact O-N 3.46Å; L414-L416 VanDerWaalsContact C-N 3.27Å; L414-L416 PolarHBondContact O-N 3.1Å; L414-I417 HydrophobicContact CD2-CD1 4.48Å; L414-I417 WeakPolarHBondContact O-CB 3.35Å; L414-I417 PolarHBondContact O-N 3.29Å; L414-I417 VanDerWaalsContact O-N 3.15Å; L414-D418 PolarHBondContact O-N 3.28Å; L414-T471 HydrophobicContact CD2-CG2 4.07Å; L414-T471 HydrophobicContact CG-CG2 4.15Å |
| 415 | A | 90.1 | Very high | 88 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 2% | 0.017 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.4 | -38.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F362 D363 M366 K411 A412 Y419 | F362-A415 HydrophobicContact CB-CB 3.58Å; D363-A415 WeakPolarHBondContact OD1-CB 3.29Å; M366-A415 HydrophobicContact CG-CB 4Å; K411-A415 PolarHBondContact O-N 3.43Å; A412-A415 PolarHBondContact O-N 2.91Å; A415-Y419 PolarHBondContact O-N 3.49Å |
| 416 | L | 91.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.2 | -39.8 | 175.7 | -175 | 61.3 | 0 | 0 | 0 | 112.3 | M366 V379 Y383 L386 A412 H413 L414 D418 Y419 L420 | M366-L416 HydrophobicContact SD-CD1 4.42Å; V379-L416 HydrophobicContact CG1-CD1 4.1Å; Y383-L416 HydrophobicContact CD1-CD2 4.2Å; Y383-L416 HydrophobicContact CD2-CD1 4.44Å; Y383-L416 HydrophobicContact CD2-CD2 3.8Å; Y383-L416 HydrophobicContact CE1-CB 4.13Å; Y383-L416 HydrophobicContact CE1-CD2 4.17Å; Y383-L416 HydrophobicContact CE2-CB 4.2Å; Y383-L416 HydrophobicContact CE2-CD1 3.84Å; Y383-L416 HydrophobicContact CE2-CD2 3.8Å; Y383-L416 HydrophobicContact CE2-CG 4.15Å; Y383-L416 HydrophobicContact CG-CD2 4.02Å; L386-L416 HydrophobicContact CD1-CD2 3.46Å; L386-L416 VanDerWaalsContact CD1-CD2 3.46Å; A412-L416 PolarHBondContact O-N 3.21Å; H413-L416 PolarHBondContact O-N 2.9Å; L414-L416 VanDerWaalsContact C-N 3.27Å; L414-L416 PolarHBondContact O-N 3.1Å; L416-D418 VanDerWaalsContact C-N 3.31Å; L416-D418 PolarHBondContact O-N 3.26Å; L416-Y419 HydrophobicContact CD1-CD1 4.27Å; L416-Y419 PolarHBondContact O-N 3.25Å; L416-L420 HydrophobicContact CD1-CD1 4.03Å; L416-L420 HydrophobicContact CD1-CD2 4.32Å; L416-L420 HydrophobicContact CD1-CG 3.84Å; L416-L420 HydrophobicContact CD2-CD1 4.16Å; L416-L420 HydrophobicContact CG-CD1 3.73Å; L416-L420 HydrophobicContact CG-CG 3.97Å; L416-L420 WeakPolarHBondContact O-CB 3.22Å; L416-L420 VanDerWaalsContact O-CG 3.28Å; L416-L420 WeakPolarHBondContact O-CG 3.37Å; L416-L420 PolarHBondContact O-N 3.1Å |
| 417 | I | 91.7 | Very high | 88.2 | Confident | 13 Ų | 13 | 47.4 Ų | 47.4 | 7% | 0.067 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.4 | -45.6 | 177.8 | -76.5 | 161.4 | 0 | 0 | 0 | 110.1 | H413 L414 L420 T421 L464 C467 Y468 T471 | H413-I417 WeakPolarHBondContact O-CD1 3.33Å; H413-I417 VanDerWaalsContact O-CG1 3.23Å; H413-I417 WeakPolarHBondContact O-CG1 3.28Å; H413-I417 PolarHBondContact O-N 3.41Å; L414-I417 HydrophobicContact CD2-CD1 4.48Å; L414-I417 WeakPolarHBondContact O-CB 3.35Å; L414-I417 PolarHBondContact O-N 3.29Å; L414-I417 VanDerWaalsContact O-N 3.15Å; I417-L420 PolarHBondContact O-N 3.35Å; I417-T421 VanDerWaalsContact O-CB 3.23Å; I417-T421 WeakPolarHBondContact O-CB 3.22Å; I417-T421 PolarHBondContact O-N 3.22Å; I417-T421 PolarHBondContact O-OG1 2.99Å; I417-L464 HydrophobicContact CG1-CD2 4.33Å; I417-L464 HydrophobicContact CG2-CD2 4.49Å; I417-C467 HydrophobicContact CD1-CB 3.86Å; I417-C467 HydrophobicContact CG1-CB 3.67Å; I417-Y468 HydrophobicContact CB-CE1 4.48Å; I417-Y468 HydrophobicContact CD1-CD1 3.74Å; I417-Y468 HydrophobicContact CD1-CE1 3.82Å; I417-Y468 HydrophobicContact CG1-CD1 4.28Å; I417-Y468 HydrophobicContact CG1-CE1 4.01Å; I417-Y468 HydrophobicContact CG2-CE1 3.61Å; I417-T471 HydrophobicContact CD1-CG2 4.28Å; I417-T471 WeakPolarHBondContact CD1-OG1 3.38Å |
| 418 | D | 89.8 | Confident | 88.2 | Confident | 111 Ų | 111 | 45.9 Ų | 45.9 | 59% | 0.594 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -62.7 | -46.5 | 179.3 | -74 | -14.9 | 0 | 0 | 0 | 111.4 | L414 L416 T421 Q422 | L414-D418 PolarHBondContact O-N 3.28Å; L416-D418 VanDerWaalsContact C-N 3.31Å; L416-D418 PolarHBondContact O-N 3.26Å; D418-T421 PolarHBondContact O-N 3.47Å; D418-Q422 WeakPolarHBondContact O-CB 3.37Å; D418-Q422 PolarHBondContact O-N 2.87Å |
| 419 | Y | 91.2 | Very high | 88.1 | Confident | 5 Ų | 5 | 50 Ų | 50 | 2% | 0.02 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.2 | -50.8 | 175.4 | 172.2 | -93.5 | 0 | 0 | 0 | 112.4 | M366 F369 A370 T374 P376 V379 A415 L416 T421 Q422 K423 | M366-Y419 HydrophobicContact SD-CG 4.2Å; F369-Y419 HydrophobicContact CB-CE2 4.03Å; A370-Y419 HydrophobicContact CB-CD2 4Å; A370-Y419 HydrophobicContact CB-CE2 4.12Å; T374-Y419 PolarHBondContact O-OH 2.84Å; P376-Y419 HydrophobicContact CB-CE1 4.29Å; V379-Y419 HydrophobicContact CB-CE1 4.14Å; V379-Y419 HydrophobicContact CG1-CD1 4.25Å; V379-Y419 HydrophobicContact CG1-CE1 4.09Å; V379-Y419 HydrophobicContact CG2-CE1 4.21Å; A415-Y419 PolarHBondContact O-N 3.49Å; L416-Y419 HydrophobicContact CD1-CD1 4.27Å; L416-Y419 PolarHBondContact O-N 3.25Å; Y419-T421 VanDerWaalsContact C-N 3.35Å; Y419-T421 PolarHBondContact O-N 3.23Å; Y419-Q422 PolarHBondContact O-N 2.87Å; Y419-K423 HydrophobicContact CD1-CG 4.42Å; Y419-K423 HydrophobicContact CE1-CG 3.95Å; Y419-K423 HydrophobicContact CE2-CG 4.08Å; Y419-K423 WeakPolarHBondContact O-CG 3.48Å; Y419-K423 PolarHBondContact O-N 3.31Å |
| 420 | L | 90.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.7 | -37 | -177.5 | -72.2 | -177.4 | 0 | 0 | 0 | 111.6 | P376 M380 L416 I417 K423 R424 I460 T463 L464 | P376-L420 HydrophobicContact CB-CD2 4.4Å; M380-L420 HydrophobicContact CG-CD2 4.13Å; M380-L420 HydrophobicContact SD-CD2 3.93Å; L416-L420 HydrophobicContact CD1-CD1 4.03Å; L416-L420 HydrophobicContact CD1-CD2 4.32Å; L416-L420 HydrophobicContact CD1-CG 3.84Å; L416-L420 HydrophobicContact CD2-CD1 4.16Å; L416-L420 HydrophobicContact CG-CD1 3.73Å; L416-L420 HydrophobicContact CG-CG 3.97Å; L416-L420 WeakPolarHBondContact O-CB 3.22Å; L416-L420 VanDerWaalsContact O-CG 3.28Å; L416-L420 WeakPolarHBondContact O-CG 3.37Å; L416-L420 PolarHBondContact O-N 3.1Å; I417-L420 PolarHBondContact O-N 3.35Å; L420-K423 PolarHBondContact O-N 3.45Å; L420-R424 WeakPolarHBondContact O-CB 3.49Å; L420-R424 PolarHBondContact O-N 3.41Å; L420-I460 HydrophobicContact CB-CG2 4.19Å; L420-I460 HydrophobicContact CD2-CG1 4.24Å; L420-I460 HydrophobicContact CD2-CG2 4.29Å; L420-T463 HydrophobicContact CD1-CG2 3.97Å; L420-L464 HydrophobicContact CB-CD1 4.4Å; L420-L464 HydrophobicContact CB-CD2 3.68Å; L420-L464 HydrophobicContact CB-CG 4.01Å; L420-L464 HydrophobicContact CD1-CD2 4.14Å; L420-L464 HydrophobicContact CD1-CG 4.2Å |
| 421 | T | 89.5 | Confident | 86.8 | Confident | 62 Ų | 62 | 52.5 Ų | 52.5 | 38% | 0.38 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 176.4 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | I417 D418 Y419 R424 S425 | I417-T421 VanDerWaalsContact O-CB 3.23Å; I417-T421 WeakPolarHBondContact O-CB 3.22Å; I417-T421 PolarHBondContact O-N 3.22Å; I417-T421 PolarHBondContact O-OG1 2.99Å; D418-T421 PolarHBondContact O-N 3.47Å; Y419-T421 VanDerWaalsContact C-N 3.35Å; Y419-T421 PolarHBondContact O-N 3.23Å; T421-R424 PolarHBondContact O-N 3.47Å; T421-S425 PolarHBondContact O-N 3.42Å |
| 422 | Q | 89.4 | Confident | 85.7 | Confident | 100 Ų | 100 | 52.8 Ų | 52.8 | 47% | 0.467 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 174.6 | -169 | -175 | 21.5 | 0 | 0 | 111.4 | D418 Y419 S425 Q426 | D418-Q422 WeakPolarHBondContact O-CB 3.37Å; D418-Q422 PolarHBondContact O-N 2.87Å; Y419-Q422 PolarHBondContact O-N 2.87Å; Q422-S425 PolarHBondContact O-N 2.91Å; Q422-Q426 WeakPolarHBondContact O-CG 3.35Å; Q422-Q426 PolarHBondContact O-N 3.38Å; Q422-Q426 VanDerWaalsContact O-N 3.1Å |
| 423 | K | 86.8 | Confident | 84.5 | Confident | 21 Ų | 21 | 57.1 Ų | 57.1 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 178.4 | -72.1 | -67 | 177.5 | -171.2 | 0 | 112.5 | A370 Y419 L420 S425 Q426 L427 | A370-K423 PolarHBondContact O-NZ 3.06Å; A370-K423 VanDerWaalsContact O-NZ 3.14Å; Y419-K423 HydrophobicContact CD1-CG 4.42Å; Y419-K423 HydrophobicContact CE1-CG 3.95Å; Y419-K423 HydrophobicContact CE2-CG 4.08Å; Y419-K423 WeakPolarHBondContact O-CG 3.48Å; Y419-K423 PolarHBondContact O-N 3.31Å; L420-K423 PolarHBondContact O-N 3.45Å; K423-S425 PolarHBondContact O-N 3.19Å; K423-Q426 PolarHBondContact O-N 3.18Å; K423-L427 WeakPolarHBondContact O-CB 3.37Å; K423-L427 WeakPolarHBondContact O-CG 3.47Å; K423-L427 PolarHBondContact O-N 3.14Å |
| 424 | R | 89 | Confident | 82.7 | Confident | 38 Ų | 38 | 62.2 Ų | 62.2 | 14% | 0.143 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.1 | -48.3 | 174 | -175.9 | -176.6 | 179.1 | -82.9 | -7.4 | 111.1 | L420 T421 Q426 L427 V428 L457 I460 D461 N484 | L420-R424 WeakPolarHBondContact O-CB 3.49Å; L420-R424 PolarHBondContact O-N 3.41Å; T421-R424 PolarHBondContact O-N 3.47Å; R424-Q426 VanDerWaalsContact C-N 3.33Å; R424-Q426 PolarHBondContact O-N 3.48Å; R424-L427 PolarHBondContact O-N 3Å; R424-V428 HydrophobicContact CG-CG2 4.39Å; R424-V428 WeakPolarHBondContact O-CG2 3.23Å; R424-V428 PolarHBondContact O-N 3Å; R424-L457 HydrophobicContact CG-CD2 4.17Å; R424-I460 HydrophobicContact CB-CG2 4.12Å; R424-D461 WeakPolarHBondContact CD-OD1 3.2Å; R424-D461 IonicContact CZ-OD1 3.26Å; R424-D461 IonicContact NE-OD1 2.65Å; R424-D461 PolarHBondContact NE-OD1 3.21Å; R424-D461 IonicContact NE-OD2 3.5Å; R424-N484 PolarHBondContact NH2-O 3.3Å; R424-N484 VanDerWaalsContact NH2-O 3.12Å |
| 425 | S | 87.1 | Confident | 80.7 | Confident | 59 Ų | 59 | 65 Ų | 65 | 41% | 0.413 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 177.8 | -173.5 | 0 | 0 | 0 | 0 | 112.1 | T421 Q422 K423 K429 | T421-S425 PolarHBondContact O-N 3.42Å; Q422-S425 PolarHBondContact O-N 2.91Å; K423-S425 PolarHBondContact O-N 3.19Å; S425-K429 WeakPolarHBondContact O-CG 3.33Å; S425-K429 PolarHBondContact O-N 3.19Å; S425-K429 VanDerWaalsContact O-N 3.07Å |
| 426 | Q | 84.6 | Confident | 78.8 | Confident | 75 Ų | 75 | 71.1 Ų | 71.1 | 35% | 0.35 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 175.8 | -69.5 | 173.2 | 3 | 0 | 0 | 112.5 | Q422 K423 R424 K430 | Q422-Q426 WeakPolarHBondContact O-CG 3.35Å; Q422-Q426 PolarHBondContact O-N 3.38Å; Q422-Q426 VanDerWaalsContact O-N 3.1Å; K423-Q426 PolarHBondContact O-N 3.18Å; R424-Q426 VanDerWaalsContact C-N 3.33Å; R424-Q426 PolarHBondContact O-N 3.48Å; Q426-K430 WeakPolarHBondContact O-CG 3.38Å; Q426-K430 PolarHBondContact O-N 2.86Å |
| 427 | L | 82.8 | Confident | 76.9 | Confident | 16 Ų | 16 | 80.3 Ų | 80.3 | 8% | 0.084 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -68.4 | -39.1 | 179.3 | -74.8 | 170.8 | 0 | 0 | 0 | 112.3 | K423 R424 K430 L431 L456 L457 I460 | K423-L427 WeakPolarHBondContact O-CB 3.37Å; K423-L427 WeakPolarHBondContact O-CG 3.47Å; K423-L427 PolarHBondContact O-N 3.14Å; R424-L427 PolarHBondContact O-N 3Å; L427-K430 CarbonylContact O-C 3.56Å; L427-K430 PolarHBondContact O-N 2.73Å; L427-L431 PolarHBondContact O-N 3.43Å; L427-L456 HydrophobicContact CD1-CD2 3.81Å; L427-L456 HydrophobicContact CD1-CG 4.08Å; L427-L456 HydrophobicContact CD2-CD2 4.36Å; L427-L457 HydrophobicContact CB-CD2 3.75Å; L427-L457 HydrophobicContact CB-CG 4.19Å; L427-L457 HydrophobicContact CD1-CD2 4.14Å; L427-L457 HydrophobicContact CD1-CG 4.38Å; L427-I460 HydrophobicContact CD1-CD1 3.53Å |
| 428 | V | 83.7 | Confident | 75.1 | Confident | 34 Ų | 34 | 81.4 Ų | 81.4 | 21% | 0.206 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 176.7 | 172.8 | 0 | 0 | 0 | 0 | 111.6 | R424 K430 L431 L457 | R424-V428 HydrophobicContact CG-CG2 4.39Å; R424-V428 WeakPolarHBondContact O-CG2 3.23Å; R424-V428 PolarHBondContact O-N 3Å; V428-K430 VanDerWaalsContact C-N 3.29Å; V428-K430 PolarHBondContact O-N 3.04Å; V428-L431 HydrophobicContact CG2-CD1 4.5Å; V428-L431 WeakPolarHBondContact O-CB 3.47Å; V428-L431 PolarHBondContact O-N 3.47Å; V428-L457 HydrophobicContact CG2-CD2 4.1Å |
| 429 | K | 81.9 | Confident | 73.6 | Confident | 157 Ų | 157 | 81.8 Ų | 81.8 | 68% | 0.683 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60.7 | -39.9 | 172.8 | -73.2 | 179.2 | -179.1 | -173.9 | 0 | 112.1 | S425 L431 | S425-K429 WeakPolarHBondContact O-CG 3.33Å; S425-K429 PolarHBondContact O-N 3.19Å; S425-K429 VanDerWaalsContact O-N 3.07Å; K429-L431 VanDerWaalsContact C-N 3.33Å; K429-L431 PolarHBondContact O-N 2.86Å |
| 430 | K | 74.7 | Confident | 72.4 | Confident | 115 Ų | 115 | 83.1 Ų | 83.1 | 50% | 0.5 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 6.9 | -178.6 | -65.4 | 179.6 | 179.2 | -172.8 | 0 | 114.5 | Q426 L427 V428 K453 | Q426-K430 WeakPolarHBondContact O-CG 3.38Å; Q426-K430 PolarHBondContact O-N 2.86Å; L427-K430 CarbonylContact O-C 3.56Å; L427-K430 PolarHBondContact O-N 2.73Å; V428-K430 VanDerWaalsContact C-N 3.29Å; V428-K430 PolarHBondContact O-N 3.04Å; K430-K453 PolarHBondContact O-NZ 2.55Å |
| 431 | L | 71.1 | Confident | 71.2 | Confident | 63 Ų | 63 | 84.3 Ų | 84.3 | 33% | 0.33 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -28.5 | 176.5 | -99.1 | 170.3 | 0 | 0 | 0 | 111.8 | L427 V428 K429 L457 | L427-L431 PolarHBondContact O-N 3.43Å; V428-L431 HydrophobicContact CG2-CD1 4.5Å; V428-L431 WeakPolarHBondContact O-CB 3.47Å; V428-L431 PolarHBondContact O-N 3.47Å; K429-L431 VanDerWaalsContact C-N 3.33Å; K429-L431 PolarHBondContact O-N 2.86Å; L431-L457 HydrophobicContact CD1-CD1 3.32Å; L431-L457 HydrophobicContact CD2-CD1 4.27Å; L431-L457 HydrophobicContact CG-CD1 3.91Å |
| 432 | N | 64.4 | Low | 70.3 | Confident | 150 Ų | 150 | 83.2 Ų | 83.2 | 80% | 0.802 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -87.4 | -17.1 | -178.3 | -65.2 | -10 | 0 | 0 | 0 | 113.2 | S434 | N432-S434 PolarHBondContact O-N 3.18Š|
| 433 | D | 62.9 | Low | 69.3 | Low | 91 Ų | 91 | 78.8 Ų | 78.8 | 49% | 0.487 | 42% | 0.423 | S | S | . | . | trans | -89.4 | 104.9 | 175.9 | -65.2 | -28.4 | 0 | 0 | 0 | 109.9 | D435 | D433-D435 PolarHBondContact O-N 3.14Š| ||
| 434 | S | 52.7 | Low | 68.2 | Low | 112 Ų | 112 | 80.7 Ų | 80.7 | 78% | 0.783 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -18.2 | -178.3 | 50.9 | 0 | 0 | 0 | 0 | 114.3 | N432 | N432-S434 PolarHBondContact O-N 3.18Š|
| 435 | D | 48.3 | Very low | 66.7 | Low | 142 Ų | 142 | 87.4 Ų | 87.4 | 76% | 0.759 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -1.5 | -163.2 | -74 | 0.7 | 0 | 0 | 0 | 115.5 | D433 | D433-D435 PolarHBondContact O-N 3.14Š|
| 436 | H | 50.8 | Low | 65.4 | Low | 130 Ų | 130 | 88.8 Ų | 88.8 | 60% | 0.602 | 49% | 0.49 | S | S | * | . | trans | -113.5 | 104.8 | 179.6 | -73.6 | -51.2 | 0 | 0 | 0 | 112.6 | S438 K453 | H436-S438 PolarHBondContact O-N 3.3Å; H436-K453 WeakPolarHBondContact O-CE 3.45Å; H436-K453 PolarHBondContact O-NZ 3.21Å | ||
| 437 | Q | 52.1 | Low | 64.5 | Low | 192 Ų | 192 | 86 Ų | 86 | 90% | 0.897 | 48% | 0.477 | S | S | * | . | trans | -58.1 | 130.3 | 159.5 | -72.9 | -179.4 | 4.8 | 0 | 0 | 108.6 | S439 | Q437-S439 PolarHBondContact O-N 3.43Š| ||
| 438 | S | 53.3 | Low | 63.8 | Low | 36 Ų | 36 | 87.8 Ų | 87.8 | 25% | 0.252 | 49% | 0.49 | S | S | . | . | trans | -69.2 | 103.4 | 176.2 | 50.3 | 0 | 0 | 0 | 0 | 109.2 | H436 T440 | H436-S438 PolarHBondContact O-N 3.3Å; S438-T440 PolarHBondContact O-N 3Å | ||
| 439 | S | 59.5 | Low | 63.3 | Low | 119 Ų | 119 | 88.2 Ų | 88.2 | 83% | 0.832 | 49% | 0.493 | S | S | * | . | trans | -76.6 | 77.1 | 169.6 | 62.3 | 0 | 0 | 0 | 0 | 109.2 | Q437 | Q437-S439 PolarHBondContact O-N 3.43Š| ||
| 440 | T | 65.9 | Low | 62.9 | Low | 34 Ų | 34 | 82.1 Ų | 82.1 | 21% | 0.209 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 134.5 | 165.7 | 50.4 | 0 | 0 | 0 | 0 | 109 | D375 S438 | D375-T440 WeakPolarHBondContact OD2-CB 3.4Å; D375-T440 PolarHBondContact OD2-OG1 3.12Å; S438-T440 PolarHBondContact O-N 3Å |
| 441 | S | 64.3 | Low | 62.7 | Low | 25 Ų | 25 | 85.3 Ų | 85.3 | 18% | 0.175 | 48% | 0.482 | C | S | . | . | B | Isolated β-bridge | trans | -89.7 | 133.4 | 176.9 | 49.2 | 0 | 0 | 0 | 0 | 110.2 | H346 L372 G373 T374 D375 | H346-S441 PolarHBondContact CE1-OG 2.75Å; H346-S441 PolarHBondContact NE2-OG 3Å; L372-S441 PolarHBondContact O-OG 3.07Å; G373-S441 PolarHBondContact O-N 2.9Å; T374-S441 CarbonylContact C-O 3.51Å; T374-S441 WeakPolarHBondContact CA-O 3.3Å; D375-S441 PolarHBondContact N-O 2.85Å |
| 442 | P | 71.9 | Confident | 63.1 | Low | 38 Ų | 38 | 84.7 Ų | 84.7 | 25% | 0.247 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 156.8 | 172 | 29.5 | -33.4 | 0 | 0 | 0 | 110.5 | N350 M444 T447 T449 | N350-P442 PolarHBondContact ND2-O 3.27Å; P442-M444 WeakPolarHBondContact CB-O 3.22Å; P442-T447 WeakPolarHBondContact CB-OG1 3.44Å; P442-T449 HydrophobicContact CB-CG2 3.82Å; P442-T449 HydrophobicContact CG-CG2 4.5Å |
| 443 | L | 68.3 | Low | 63.7 | Low | 7 Ų | 7 | 79.3 Ų | 79.3 | 4% | 0.037 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -72.7 | -32.5 | 176.2 | -168.9 | 136.2 | 0 | 0 | 0 | 111.8 | F369 T374 H378 Y397 P398 | F369-L443 HydrophobicContact CE1-CD1 3.53Å; F369-L443 HydrophobicContact CZ-CD1 3.8Å; T374-L443 HydrophobicContact CG2-CB 4.23Å; T374-L443 HydrophobicContact CG2-CD1 4.38Å; H378-L443 HydrophobicContact CB-CB 3.94Å; H378-L443 WeakPolarHBondContact ND1-CB 3.32Å; H378-L443 PolarHBondContact ND1-N 3.41Å; Y397-L443 HydrophobicContact CD1-CD2 3.97Å; Y397-L443 HydrophobicContact CE1-CD2 4.43Å; P398-L443 HydrophobicContact CG-CD2 4.35Å |
| 444 | M | 62.4 | Low | 64.6 | Low | 62 Ų | 62 | 81.9 Ų | 81.9 | 31% | 0.305 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -128.7 | 137.5 | 169.2 | -69.7 | -171.6 | 67.3 | 0 | 0 | 110.5 | Q396 P398 P442 G446 T447 | Q396-M444 HydrophobicContact CB-SD 3.94Å; P398-M444 HydrophobicContact CG-SD 4.45Å; P442-M444 WeakPolarHBondContact CB-O 3.22Å; M444-G446 PolarHBondContact O-N 3.47Å; M444-T447 HydrophobicContact CB-CG2 4.29Å; M444-T447 PolarHBondContact O-N 2.96Å; M444-T447 PolarHBondContact O-OG1 3.49Å |
| 445 | E | 58.8 | Low | 66 | Low | 179 Ų | 179 | 82.8 Ų | 82.8 | 84% | 0.836 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 137.7 | 176.8 | -71.1 | -178.1 | 169.9 | 0 | 0 | 111.6 | ||
| 446 | G | 58.7 | Low | 67.7 | Low | 88 Ų | 88 | 76.1 Ų | 76.1 | 91% | 0.907 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.8 | -3.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116 | M444 | M444-G446 PolarHBondContact O-N 3.47Š|
| 447 | T | 65.9 | Low | 69.4 | Low | 15 Ų | 15 | 69.9 Ų | 69.9 | 9% | 0.092 | 38% | 0.384 | C | S | . | . | trans | -86.9 | 149.2 | 175.7 | 51.9 | 0 | 0 | 0 | 0 | 112.8 | H378 Q396 P442 M444 | H378-T447 PolarHBondContact CE1-OG1 3.48Å; Q396-T447 HydrophobicContact CB-CG2 4.12Å; Q396-T447 HydrophobicContact CG-CG2 4.5Å; P442-T447 WeakPolarHBondContact CB-OG1 3.44Å; M444-T447 HydrophobicContact CB-CG2 4.29Å; M444-T447 PolarHBondContact O-N 2.96Å; M444-T447 PolarHBondContact O-OG1 3.49Å | ||
| 448 | P | 68.8 | Low | 71.2 | Confident | 54 Ų | 54 | 64 Ų | 64 | 35% | 0.351 | 36% | 0.356 | S | S | . | . | trans | -69.5 | 137.2 | -176.8 | 27.8 | -34 | 0 | 0 | 0 | 111.7 | H378 | H378-P448 PolarHBondContact NE2-O 2.95Š| ||
| 449 | T | 72.8 | Confident | 72.8 | Confident | 44 Ų | 44 | 64.2 Ų | 64.2 | 27% | 0.27 | 36% | 0.355 | S | S | . | . | trans | -120.9 | 151.3 | 170.8 | 59.2 | 0 | 0 | 0 | 0 | 110.7 | D375 P442 K451 | D375-T449 HydrophobicContact CB-CG2 4.11Å; P442-T449 HydrophobicContact CB-CG2 3.82Å; P442-T449 HydrophobicContact CG-CG2 4.5Å; T449-K451 PolarHBondContact O-N 3.29Å | ||
| 450 | I | 74.5 | Confident | 74.2 | Confident | 29 Ų | 29 | 58.6 Ų | 58.6 | 15% | 0.149 | 32% | 0.315 | C | S | . | . | trans | -89.2 | 108.6 | -178.4 | -60.9 | -175.7 | 0 | 0 | 0 | 109.6 | T377 S452 K455 L456 I459 | T377-I450 HydrophobicContact CG2-CD1 3.68Å; T377-I450 HydrophobicContact CG2-CG1 4.11Å; I450-S452 PolarHBondContact O-N 2.99Å; I450-K455 HydrophobicContact CG2-CB 4.04Å; I450-L456 HydrophobicContact CG2-CB 4.45Å; I450-I459 HydrophobicContact CD1-CD1 3.16Å | ||
| 451 | K | 69.8 | Low | 75.4 | Confident | 182 Ų | 182 | 57 Ų | 57 | 79% | 0.791 | 31% | 0.305 | S | S | * | . | trans | -75 | -21.3 | -179 | -59.9 | -174.3 | 179.1 | -176.3 | 0 | 114.3 | T449 K453 | T449-K451 PolarHBondContact O-N 3.29Å; K451-K453 PolarHBondContact O-N 3.47Å | ||
| 452 | S | 79.3 | Confident | 76.6 | Confident | 50 Ų | 50 | 56.3 Ų | 56.3 | 35% | 0.35 | 30% | 0.3 | S | S | . | . | trans | -86.1 | 113.7 | -177.3 | 177.6 | 0 | 0 | 0 | 0 | 111.5 | I450 K454 K455 L456 | I450-S452 PolarHBondContact O-N 2.99Å; S452-K454 VanDerWaalsContact C-N 3.28Å; S452-K454 PolarHBondContact O-N 3.01Å; S452-K455 PolarHBondContact O-N 3.06Å; S452-L456 WeakPolarHBondContact O-CB 3.3Å; S452-L456 PolarHBondContact O-N 3.22Å | ||
| 453 | K | 78 | Confident | 77.5 | Confident | 37 Ų | 37 | 54.6 Ų | 54.6 | 16% | 0.161 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -53 | -42.7 | 175.7 | -65.7 | 179.8 | -177.9 | 172.6 | 0 | 112.6 | K430 H436 K451 L456 L457 | K430-K453 PolarHBondContact O-NZ 2.55Å; H436-K453 WeakPolarHBondContact O-CE 3.45Å; H436-K453 PolarHBondContact O-NZ 3.21Å; K451-K453 PolarHBondContact O-N 3.47Å; K453-L456 PolarHBondContact O-N 2.85Å; K453-L457 WeakPolarHBondContact O-CG 3.45Å; K453-L457 PolarHBondContact O-N 2.94Å |
| 454 | K | 80.7 | Confident | 78.6 | Confident | 144 Ų | 144 | 54.3 Ų | 54.3 | 63% | 0.626 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -67.1 | -42.6 | -178.9 | -169 | 176.4 | -177.5 | 176.3 | 0 | 112.4 | S452 L457 Q458 | S452-K454 VanDerWaalsContact C-N 3.28Å; S452-K454 PolarHBondContact O-N 3.01Å; K454-L457 PolarHBondContact O-N 2.76Å; K454-Q458 PolarHBondContact O-N 3.01Å |
| 455 | K | 82.8 | Confident | 80 | Confident | 132 Ų | 132 | 51.4 Ų | 51.4 | 57% | 0.574 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -66 | -39.7 | 174.6 | -68.4 | -173.4 | 177 | -175.7 | 0 | 111.3 | I450 S452 Q458 I459 | I450-K455 HydrophobicContact CG2-CB 4.04Å; S452-K455 PolarHBondContact O-N 3.06Å; K455-Q458 PolarHBondContact O-N 3.16Å; K455-I459 WeakPolarHBondContact O-CG1 3.26Å; K455-I459 PolarHBondContact O-N 3.02Å |
| 456 | L | 84.1 | Confident | 81.5 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.5 | -44.2 | 176.7 | -173.5 | 61.2 | 0 | 0 | 0 | 111.6 | P376 T377 L427 I450 S452 K453 Q458 I459 I460 | P376-L456 HydrophobicContact CB-CD1 4.26Å; P376-L456 HydrophobicContact CG-CD1 4.23Å; P376-L456 HydrophobicContact CG-CD2 4.36Å; T377-L456 HydrophobicContact CG2-CD1 4.02Å; L427-L456 HydrophobicContact CD1-CD2 3.81Å; L427-L456 HydrophobicContact CD1-CG 4.08Å; L427-L456 HydrophobicContact CD2-CD2 4.36Å; I450-L456 HydrophobicContact CG2-CB 4.45Å; S452-L456 WeakPolarHBondContact O-CB 3.3Å; S452-L456 PolarHBondContact O-N 3.22Å; K453-L456 PolarHBondContact O-N 2.85Å; L456-Q458 VanDerWaalsContact C-N 3.34Å; L456-Q458 PolarHBondContact O-N 3.38Å; L456-I459 PolarHBondContact O-N 3.46Å; L456-I460 HydrophobicContact CD1-CD1 4.41Å; L456-I460 HydrophobicContact CG-CD1 3.99Å; L456-I460 VanDerWaalsContact O-CG1 3.26Å; L456-I460 WeakPolarHBondContact O-CG1 3.44Å; L456-I460 PolarHBondContact O-N 3.11Å |
| 457 | L | 86.8 | Confident | 83 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.7 | -40.9 | 173.8 | -78.4 | 168.8 | 0 | 0 | 0 | 112.6 | R424 L427 V428 L431 K453 K454 I459 I460 D461 H486 | R424-L457 HydrophobicContact CG-CD2 4.17Å; L427-L457 HydrophobicContact CB-CD2 3.75Å; L427-L457 HydrophobicContact CB-CG 4.19Å; L427-L457 HydrophobicContact CD1-CD2 4.14Å; L427-L457 HydrophobicContact CD1-CG 4.38Å; V428-L457 HydrophobicContact CG2-CD2 4.1Å; L431-L457 HydrophobicContact CD1-CD1 3.32Å; L431-L457 HydrophobicContact CD2-CD1 4.27Å; L431-L457 HydrophobicContact CG-CD1 3.91Å; K453-L457 WeakPolarHBondContact O-CG 3.45Å; K453-L457 PolarHBondContact O-N 2.94Å; K454-L457 PolarHBondContact O-N 2.76Å; L457-I459 VanDerWaalsContact C-N 3.33Å; L457-I459 PolarHBondContact O-N 2.91Å; L457-I460 PolarHBondContact O-N 2.88Å; L457-D461 WeakPolarHBondContact O-CB 3.47Å; L457-D461 PolarHBondContact O-N 3.41Å; L457-H486 HydrophobicContact CB-CB 4.2Å |
| 458 | Q | 88.6 | Confident | 84.1 | Confident | 67 Ų | 67 | 40.3 Ų | 40.3 | 31% | 0.313 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 175.4 | 170 | 168.6 | 61.5 | 0 | 0 | 112.2 | K454 K455 L456 T462 H486 H488 | K454-Q458 PolarHBondContact O-N 3.01Å; K455-Q458 PolarHBondContact O-N 3.16Å; L456-Q458 VanDerWaalsContact C-N 3.34Å; L456-Q458 PolarHBondContact O-N 3.38Å; Q458-T462 VanDerWaalsContact O-CB 3.32Å; Q458-T462 WeakPolarHBondContact O-CB 3.46Å; Q458-T462 PolarHBondContact O-N 3.48Å; Q458-T462 PolarHBondContact O-OG1 2.74Å; Q458-H486 VanDerWaalsContact CA-O 3.22Å; Q458-H486 WeakPolarHBondContact CA-O 3.11Å; Q458-H486 HydrophobicContact CB-CB 4.21Å; Q458-H486 WeakPolarHBondContact CB-O 3.37Å; Q458-H486 WeakPolarHBondContact CG-O 3.25Å; Q458-H488 HydrophobicContact CG-CB 4.02Å; Q458-H488 PolarHBondContact NE2-CD2 2.91Å |
| 459 | I | 87.2 | Confident | 85.1 | Confident | 42 Ų | 42 | 39.1 Ų | 39.1 | 22% | 0.215 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.1 | -43.4 | 177.8 | -71.4 | 164.7 | 0 | 0 | 0 | 111 | M380 L387 I450 K455 L456 L457 T463 | M380-I459 HydrophobicContact CE-CG2 3.29Å; M380-I459 HydrophobicContact SD-CG2 4.08Å; L387-I459 HydrophobicContact CD2-CG2 4.15Å; I450-I459 HydrophobicContact CD1-CD1 3.16Å; K455-I459 WeakPolarHBondContact O-CG1 3.26Å; K455-I459 PolarHBondContact O-N 3.02Å; L456-I459 PolarHBondContact O-N 3.46Å; L457-I459 VanDerWaalsContact C-N 3.33Å; L457-I459 PolarHBondContact O-N 2.91Å; I459-T463 VanDerWaalsContact O-CB 3.32Å; I459-T463 WeakPolarHBondContact O-CB 3.32Å; I459-T463 PolarHBondContact O-N 3.39Å; I459-T463 PolarHBondContact O-OG1 2.82Å |
| 460 | I | 89 | Confident | 85.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.6 | -51.4 | 176.7 | -68.8 | 168.3 | 0 | 0 | 0 | 110.6 | P376 L420 R424 L427 L456 L457 T462 T463 L464 | P376-I460 HydrophobicContact CB-CD1 4.32Å; P376-I460 HydrophobicContact CB-CG1 4.37Å; P376-I460 HydrophobicContact CG-CD1 4.25Å; L420-I460 HydrophobicContact CB-CG2 4.19Å; L420-I460 HydrophobicContact CD2-CG1 4.24Å; L420-I460 HydrophobicContact CD2-CG2 4.29Å; R424-I460 HydrophobicContact CB-CG2 4.12Å; L427-I460 HydrophobicContact CD1-CD1 3.53Å; L456-I460 HydrophobicContact CD1-CD1 4.41Å; L456-I460 HydrophobicContact CG-CD1 3.99Å; L456-I460 VanDerWaalsContact O-CG1 3.26Å; L456-I460 WeakPolarHBondContact O-CG1 3.44Å; L456-I460 PolarHBondContact O-N 3.11Å; L457-I460 PolarHBondContact O-N 2.88Å; I460-T462 PolarHBondContact O-N 3.12Å; I460-T463 PolarHBondContact O-N 3.41Å; I460-T463 VanDerWaalsContact O-N 3.16Å; I460-L464 HydrophobicContact CG2-CD1 3.94Å; I460-L464 HydrophobicContact CG2-CG 4.37Å; I460-L464 WeakPolarHBondContact O-CG 3.36Å; I460-L464 PolarHBondContact O-N 2.99Å |
| 461 | D | 90.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.6 | -42.2 | -177.7 | -78.5 | -4.4 | 0 | 0 | 0 | 111.7 | R424 L457 T463 L464 L465 H486 | R424-D461 WeakPolarHBondContact CD-OD1 3.2Å; R424-D461 IonicContact CZ-OD1 3.26Å; R424-D461 IonicContact NE-OD1 2.65Å; R424-D461 PolarHBondContact NE-OD1 3.21Å; R424-D461 IonicContact NE-OD2 3.5Å; L457-D461 WeakPolarHBondContact O-CB 3.47Å; L457-D461 PolarHBondContact O-N 3.41Å; D461-T463 VanDerWaalsContact C-N 3.26Å; D461-T463 PolarHBondContact O-N 3.49Å; D461-L464 PolarHBondContact O-N 3.37Å; D461-L465 PolarHBondContact O-N 3.46Å; D461-H486 PolarHBondContact OD2-N 3.3Å; D461-H486 IonicContact OD2-ND1 3.97Å |
| 462 | T | 90.9 | Very high | 87.1 | Confident | 11 Ų | 11 | 38.2 Ų | 38.2 | 7% | 0.067 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.5 | -34.1 | 176.6 | -51.1 | 0 | 0 | 0 | 0 | 111.5 | Q458 I460 L465 K466 H488 E491 | Q458-T462 VanDerWaalsContact O-CB 3.32Å; Q458-T462 WeakPolarHBondContact O-CB 3.46Å; Q458-T462 PolarHBondContact O-N 3.48Å; Q458-T462 PolarHBondContact O-OG1 2.74Å; I460-T462 PolarHBondContact O-N 3.12Å; T462-L465 WeakPolarHBondContact O-CB 3.49Å; T462-K466 PolarHBondContact O-N 3.37Å; T462-H488 HydrophobicContact CG2-CB 4.33Å; T462-H488 PolarHBondContact OG1-N 3.27Å; T462-E491 HydrophobicContact CG2-CB 4.11Å; T462-E491 HydrophobicContact CG2-CG 3.73Å |
| 463 | T | 90.3 | Very high | 87.5 | Confident | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.018 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -77.2 | -40.2 | 178.5 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | M380 L386 L420 I459 I460 D461 L465 K466 C467 | M380-T463 HydrophobicContact CE-CG2 3.72Å; M380-T463 WeakPolarHBondContact CE-OG1 2.87Å; M380-T463 HydrophobicContact CG-CG2 4.35Å; M380-T463 HydrophobicContact SD-CG2 4.45Å; L386-T463 HydrophobicContact CB-CG2 4.08Å; L386-T463 HydrophobicContact CD1-CG2 3.73Å; L386-T463 HydrophobicContact CD2-CG2 4.25Å; L386-T463 HydrophobicContact CG-CG2 4.24Å; L420-T463 HydrophobicContact CD1-CG2 3.97Å; I459-T463 VanDerWaalsContact O-CB 3.32Å; I459-T463 WeakPolarHBondContact O-CB 3.32Å; I459-T463 PolarHBondContact O-N 3.39Å; I459-T463 PolarHBondContact O-OG1 2.82Å; I460-T463 PolarHBondContact O-N 3.41Å; I460-T463 VanDerWaalsContact O-N 3.16Å; D461-T463 VanDerWaalsContact C-N 3.26Å; D461-T463 PolarHBondContact O-N 3.49Å; T463-L465 PolarHBondContact O-N 3.17Å; T463-K466 WeakPolarHBondContact O-CB 3.29Å; T463-K466 PolarHBondContact O-N 3.46Å; T463-K466 VanDerWaalsContact O-N 3.11Å; T463-C467 PolarHBondContact O-N 3Å; T463-C467 PolarHBondContact O-SG 3.4Å |
| 464 | L | 91.1 | Very high | 88 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.4 | -41.7 | 170.9 | -78.3 | 172.4 | 0 | 0 | 0 | 111.1 | I417 L420 I460 D461 K466 C467 Y468 L479 | I417-L464 HydrophobicContact CG1-CD2 4.33Å; I417-L464 HydrophobicContact CG2-CD2 4.49Å; L420-L464 HydrophobicContact CB-CD1 4.4Å; L420-L464 HydrophobicContact CB-CD2 3.68Å; L420-L464 HydrophobicContact CB-CG 4.01Å; L420-L464 HydrophobicContact CD1-CD2 4.14Å; L420-L464 HydrophobicContact CD1-CG 4.2Å; I460-L464 HydrophobicContact CG2-CD1 3.94Å; I460-L464 HydrophobicContact CG2-CG 4.37Å; I460-L464 WeakPolarHBondContact O-CG 3.36Å; I460-L464 PolarHBondContact O-N 2.99Å; D461-L464 PolarHBondContact O-N 3.37Å; L464-K466 PolarHBondContact O-N 3.49Å; L464-C467 PolarHBondContact O-N 3.48Å; L464-Y468 HydrophobicContact CB-CE2 4.22Å; L464-Y468 WeakPolarHBondContact O-CB 3.43Å; L464-Y468 WeakPolarHBondContact O-CD2 3.32Å; L464-Y468 VanDerWaalsContact O-CG 3.29Å; L464-Y468 PolarHBondContact O-N 3.47Å; L464-L479 HydrophobicContact CB-CD2 3.96Å; L464-L479 HydrophobicContact CD1-CD1 4.44Å |
| 465 | L | 91.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.2 | -47.8 | 174 | 177.3 | 64.2 | 0 | 0 | 0 | 111.9 | D461 T462 T463 Y468 L469 V476 L479 S492 L496 | D461-L465 PolarHBondContact O-N 3.46Å; T462-L465 WeakPolarHBondContact O-CB 3.49Å; T463-L465 PolarHBondContact O-N 3.17Å; L465-Y468 PolarHBondContact O-N 3.47Å; L465-L469 HydrophobicContact CD1-CD1 4.37Å; L465-L469 HydrophobicContact CG-CD1 4.37Å; L465-L469 WeakPolarHBondContact O-CG 3.18Å; L465-L469 PolarHBondContact O-N 2.95Å; L465-L469 VanDerWaalsContact O-N 3.1Å; L465-V476 HydrophobicContact CD1-CB 4.46Å; L465-V476 HydrophobicContact CD1-CG1 3.53Å; L465-V476 HydrophobicContact CD1-CG2 4.34Å; L465-L479 HydrophobicContact CB-CD2 4.05Å; L465-S492 WeakPolarHBondContact CD2-OG 3.36Å; L465-L496 HydrophobicContact CD1-CD2 4.3Å |
| 466 | K | 90.2 | Very high | 88.7 | Confident | 25 Ų | 25 | 30.1 Ų | 30.1 | 11% | 0.109 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.6 | -47.5 | 175.5 | -70.8 | 179 | 178 | -172.5 | 0 | 111.4 | L386 T462 T463 L464 Y468 L469 H470 E491 V495 | L386-K466 HydrophobicContact CD2-CB 4.11Å; L386-K466 HydrophobicContact CD2-CD 4.4Å; L386-K466 PolarHBondContact O-NZ 3.21Å; T462-K466 PolarHBondContact O-N 3.37Å; T463-K466 WeakPolarHBondContact O-CB 3.29Å; T463-K466 PolarHBondContact O-N 3.46Å; T463-K466 VanDerWaalsContact O-N 3.11Å; L464-K466 PolarHBondContact O-N 3.49Å; K466-Y468 PolarHBondContact O-N 3.07Å; K466-L469 PolarHBondContact O-N 3.03Å; K466-H470 PolarHBondContact O-CD2 3.14Å; K466-H470 VanDerWaalsContact O-CD2 3.28Å; K466-H470 PolarHBondContact O-N 3.04Å; K466-E491 WeakPolarHBondContact CE-OE1 3.44Å; K466-E491 IonicContact NZ-OE1 2.84Å; K466-E491 PolarHBondContact NZ-OE1 3.15Å; K466-V495 HydrophobicContact CG-CG1 4.34Å; K466-V495 HydrophobicContact CG-CG2 4.32Å |
| 467 | C | 89.8 | Confident | 88.8 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.5 | -46 | 178.7 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | H413 I417 T463 L464 L469 H470 T471 | H413-C467 VanDerWaalsContact CD2-SG 3.58Å; I417-C467 HydrophobicContact CD1-CB 3.86Å; I417-C467 HydrophobicContact CG1-CB 3.67Å; T463-C467 PolarHBondContact O-N 3Å; T463-C467 PolarHBondContact O-SG 3.4Å; L464-C467 PolarHBondContact O-N 3.48Å; C467-L469 VanDerWaalsContact C-N 3.33Å; C467-L469 PolarHBondContact O-N 3.34Å; C467-H470 PolarHBondContact O-N 3.1Å; C467-H470 VanDerWaalsContact O-N 3.1Å; C467-T471 PolarHBondContact O-N 2.65Å; C467-T471 PolarHBondContact O-OG1 3.02Å |
| 468 | Y | 90.6 | Very high | 88.9 | Confident | 24 Ų | 24 | 33.7 Ų | 33.7 | 9% | 0.094 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.7 | -34.6 | 178.6 | -69.3 | -38 | 0 | 0 | 0 | 113.1 | I417 L464 L465 K466 H470 T471 N472 V473 L475 L479 | I417-Y468 HydrophobicContact CB-CE1 4.48Å; I417-Y468 HydrophobicContact CD1-CD1 3.74Å; I417-Y468 HydrophobicContact CD1-CE1 3.82Å; I417-Y468 HydrophobicContact CG1-CD1 4.28Å; I417-Y468 HydrophobicContact CG1-CE1 4.01Å; I417-Y468 HydrophobicContact CG2-CE1 3.61Å; L464-Y468 HydrophobicContact CB-CE2 4.22Å; L464-Y468 WeakPolarHBondContact O-CB 3.43Å; L464-Y468 WeakPolarHBondContact O-CD2 3.32Å; L464-Y468 VanDerWaalsContact O-CG 3.29Å; L464-Y468 PolarHBondContact O-N 3.47Å; L465-Y468 PolarHBondContact O-N 3.47Å; K466-Y468 PolarHBondContact O-N 3.07Å; Y468-H470 PolarHBondContact O-N 3.34Å; Y468-T471 PolarHBondContact O-N 2.7Å; Y468-N472 CarbonylContact O-C 3.5Å; Y468-N472 PolarHBondContact O-N 2.79Å; Y468-N472 VanDerWaalsContact O-O 3.1Å; Y468-V473 PolarHBondContact O-N 3.41Å; Y468-L475 HydrophobicContact CD1-CB 3.73Å; Y468-L475 HydrophobicContact CD1-CD1 3.87Å; Y468-L475 HydrophobicContact CD1-CG 4.45Å; Y468-L475 HydrophobicContact CD2-CB 4.12Å; Y468-L475 HydrophobicContact CE1-CB 3.87Å; Y468-L475 HydrophobicContact CE1-CD1 3.55Å; Y468-L475 HydrophobicContact CE1-CG 4.37Å; Y468-L475 HydrophobicContact CE2-CB 4.25Å; Y468-L475 HydrophobicContact CG-CB 3.89Å; Y468-L479 HydrophobicContact CD2-CB 4.32Å; Y468-L479 HydrophobicContact CD2-CD2 3.87Å; Y468-L479 HydrophobicContact CE2-CB 4.12Å; Y468-L479 HydrophobicContact CE2-CD1 4.41Å; Y468-L479 HydrophobicContact CE2-CD2 3.93Å; Y468-L479 HydrophobicContact CE2-CG 4.37Å |
| 469 | L | 89.1 | Confident | 88.9 | Confident | 29 Ų | 29 | 30.9 Ų | 30.9 | 15% | 0.152 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.7 | -26.5 | 174.4 | -73.7 | 169.4 | 0 | 0 | 0 | 112.8 | L465 K466 C467 V476 V495 L496 A499 K501 | L465-L469 HydrophobicContact CD1-CD1 4.37Å; L465-L469 HydrophobicContact CG-CD1 4.37Å; L465-L469 WeakPolarHBondContact O-CG 3.18Å; L465-L469 PolarHBondContact O-N 2.95Å; L465-L469 VanDerWaalsContact O-N 3.1Å; K466-L469 PolarHBondContact O-N 3.03Å; C467-L469 VanDerWaalsContact C-N 3.33Å; C467-L469 PolarHBondContact O-N 3.34Å; L469-V476 HydrophobicContact CD2-CG2 3.87Å; L469-V476 HydrophobicContact CG-CG2 4Å; L469-V495 HydrophobicContact CD1-CG1 3.34Å; L469-L496 HydrophobicContact CD1-CD2 4.27Å; L469-L496 HydrophobicContact CD2-CD2 4.43Å; L469-A499 HydrophobicContact CD2-CB 4.18Å; L469-K501 HydrophobicContact CD2-CG 4.14Å |
| 470 | H | 85.4 | Confident | 89 | Confident | 131 Ų | 131 | 29 Ų | 29 | 61% | 0.606 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -87 | -30.1 | 176.1 | -81.3 | -75.9 | 0 | 0 | 0 | 114.1 | K466 C467 Y468 | K466-H470 PolarHBondContact O-CD2 3.14Å; K466-H470 VanDerWaalsContact O-CD2 3.28Å; K466-H470 PolarHBondContact O-N 3.04Å; C467-H470 PolarHBondContact O-N 3.1Å; C467-H470 VanDerWaalsContact O-N 3.1Å; Y468-H470 PolarHBondContact O-N 3.34Å |
| 471 | T | 87.4 | Confident | 89 | Confident | 28 Ų | 28 | 35.5 Ų | 35.5 | 17% | 0.172 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -105.3 | -68.1 | -176.5 | 58.6 | 0 | 0 | 0 | 0 | 112.2 | E410 H413 L414 I417 C467 Y468 | E410-T471 HydrophobicContact CG-CG2 4.01Å; H413-T471 HydrophobicContact CB-CG2 3.57Å; L414-T471 HydrophobicContact CD2-CG2 4.07Å; L414-T471 HydrophobicContact CG-CG2 4.15Å; I417-T471 HydrophobicContact CD1-CG2 4.28Å; I417-T471 WeakPolarHBondContact CD1-OG1 3.38Å; C467-T471 PolarHBondContact O-N 2.65Å; C467-T471 PolarHBondContact O-OG1 3.02Å; Y468-T471 PolarHBondContact O-N 2.7Å |
| 472 | N | 86.6 | Confident | 88.8 | Confident | 76 Ų | 76 | 39 Ų | 39 | 41% | 0.406 | 21% | 0.208 | S | C | . | . | trans | -135.1 | 99.3 | -175.1 | -173 | -8.6 | 0 | 0 | 0 | 112.2 | Y468 A474 L475 | Y468-N472 CarbonylContact O-C 3.5Å; Y468-N472 PolarHBondContact O-N 2.79Å; Y468-N472 VanDerWaalsContact O-O 3.1Å; N472-A474 PolarHBondContact O-N 3.39Å; N472-A474 VanDerWaalsContact OD1-CB 3.29Å; N472-A474 WeakPolarHBondContact OD1-CB 3.45Å; N472-A474 PolarHBondContact OD1-N 3.2Å; N472-L475 HydrophobicContact CB-CD1 4.26Å; N472-L475 HydrophobicContact CB-CG 4.44Å; N472-L475 PolarHBondContact O-N 2.93Å | ||
| 473 | V | 88.1 | Confident | 88 | Confident | 48 Ų | 48 | 47.1 Ų | 47.1 | 29% | 0.291 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -61.8 | -26 | -178.3 | -176.1 | 0 | 0 | 0 | 0 | 112.6 | Y468 L475 V476 K501 | Y468-V473 PolarHBondContact O-N 3.41Å; V473-L475 PolarHBondContact O-N 3.4Å; V473-V476 WeakPolarHBondContact O-CB 3.18Å; V473-V476 WeakPolarHBondContact O-CG2 3.08Å; V473-V476 PolarHBondContact O-N 2.86Å; V473-V476 VanDerWaalsContact O-N 3.14Å; V473-K501 HydrophobicContact CG1-CD 4.04Å |
| 474 | A | 87.4 | Confident | 87.5 | Confident | 74 Ų | 74 | 50.9 Ų | 50.9 | 61% | 0.612 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -64.3 | -23.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N472 V476 P478 | N472-A474 PolarHBondContact O-N 3.39Å; N472-A474 VanDerWaalsContact OD1-CB 3.29Å; N472-A474 WeakPolarHBondContact OD1-CB 3.45Å; N472-A474 PolarHBondContact OD1-N 3.2Å; A474-V476 VanDerWaalsContact C-N 3.35Å; A474-P478 WeakPolarHBondContact O-CD 3.43Å |
| 475 | L | 88.2 | Confident | 87.1 | Confident | 72 Ų | 72 | 51.4 Ų | 51.4 | 38% | 0.377 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -83.4 | -9.3 | 179.4 | -63 | 178.2 | 0 | 0 | 0 | 113.6 | Y468 N472 V473 P478 L479 | Y468-L475 HydrophobicContact CD1-CB 3.73Å; Y468-L475 HydrophobicContact CD1-CD1 3.87Å; Y468-L475 HydrophobicContact CD1-CG 4.45Å; Y468-L475 HydrophobicContact CD2-CB 4.12Å; Y468-L475 HydrophobicContact CE1-CB 3.87Å; Y468-L475 HydrophobicContact CE1-CD1 3.55Å; Y468-L475 HydrophobicContact CE1-CG 4.37Å; Y468-L475 HydrophobicContact CE2-CB 4.25Å; Y468-L475 HydrophobicContact CG-CB 3.89Å; N472-L475 HydrophobicContact CB-CD1 4.26Å; N472-L475 HydrophobicContact CB-CG 4.44Å; N472-L475 PolarHBondContact O-N 2.93Å; V473-L475 PolarHBondContact O-N 3.4Å; L475-P478 WeakPolarHBondContact O-CD 3.38Å; L475-L479 PolarHBondContact O-N 3.46Å; L475-L479 VanDerWaalsContact O-N 3.15Å |
| 476 | V | 89.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65 | -51.7 | 178.7 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | L465 L469 V473 A474 L479 L480 L496 E504 | L465-V476 HydrophobicContact CD1-CB 4.46Å; L465-V476 HydrophobicContact CD1-CG1 3.53Å; L465-V476 HydrophobicContact CD1-CG2 4.34Å; L469-V476 HydrophobicContact CD2-CG2 3.87Å; L469-V476 HydrophobicContact CG-CG2 4Å; V473-V476 WeakPolarHBondContact O-CB 3.18Å; V473-V476 WeakPolarHBondContact O-CG2 3.08Å; V473-V476 PolarHBondContact O-N 2.86Å; V473-V476 VanDerWaalsContact O-N 3.14Å; A474-V476 VanDerWaalsContact C-N 3.35Å; V476-L479 PolarHBondContact O-N 3.39Å; V476-L480 HydrophobicContact CG1-CD1 3.86Å; V476-L480 HydrophobicContact CG1-CG 4.36Å; V476-L480 WeakPolarHBondContact O-CG 3.45Å; V476-L480 PolarHBondContact O-N 3.46Å; V476-L496 HydrophobicContact CG1-CD2 4.17Å; V476-E504 HydrophobicContact CB-CG 4.26Å; V476-E504 HydrophobicContact CG1-CB 3.97Å; V476-E504 HydrophobicContact CG1-CG 3.68Å |
| 477 | A | 87.1 | Confident | 86.7 | Confident | 11 Ų | 11 | 51.9 Ų | 51.9 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.5 | -43.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L479 L480 R481 E504 I507 | A477-L479 PolarHBondContact O-N 2.67Å; A477-L480 PolarHBondContact O-N 2.97Å; A477-R481 VanDerWaalsContact O-CG 3.3Å; A477-R481 WeakPolarHBondContact O-CG 3.33Å; A477-R481 PolarHBondContact O-N 3.42Å; A477-R481 VanDerWaalsContact O-N 3.07Å; A477-E504 HydrophobicContact CB-CG 4.43Å; A477-I507 HydrophobicContact CB-CD1 4.02Å |
| 478 | P | 89.1 | Confident | 86.6 | Confident | 64 Ų | 64 | 55.1 Ų | 55.1 | 42% | 0.416 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -54.4 | -46.3 | 169.6 | -28.5 | 35.1 | 0 | 0 | 0 | 114.1 | A474 L475 L480 R481 | A474-P478 WeakPolarHBondContact O-CD 3.43Å; L475-P478 WeakPolarHBondContact O-CD 3.38Å; P478-L480 VanDerWaalsContact C-N 3.34Å; P478-L480 PolarHBondContact O-N 2.87Å; P478-R481 PolarHBondContact O-N 2.9Å |
| 479 | L | 88.6 | Confident | 86.4 | Confident | 9 Ų | 9 | 56.8 Ų | 56.8 | 5% | 0.047 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 178.3 | 178.6 | 70.3 | 0 | 0 | 0 | 111.9 | L464 L465 Y468 L475 V476 A477 R481 L482 N485 | L464-L479 HydrophobicContact CB-CD2 3.96Å; L464-L479 HydrophobicContact CD1-CD1 4.44Å; L465-L479 HydrophobicContact CB-CD2 4.05Å; Y468-L479 HydrophobicContact CD2-CB 4.32Å; Y468-L479 HydrophobicContact CD2-CD2 3.87Å; Y468-L479 HydrophobicContact CE2-CB 4.12Å; Y468-L479 HydrophobicContact CE2-CD1 4.41Å; Y468-L479 HydrophobicContact CE2-CD2 3.93Å; Y468-L479 HydrophobicContact CE2-CG 4.37Å; L475-L479 PolarHBondContact O-N 3.46Å; L475-L479 VanDerWaalsContact O-N 3.15Å; V476-L479 PolarHBondContact O-N 3.39Å; A477-L479 PolarHBondContact O-N 2.67Å; L479-R481 VanDerWaalsContact C-N 3.33Å; L479-R481 PolarHBondContact O-N 3.43Å; L479-L482 HydrophobicContact CD1-CD1 4.12Å; L479-L482 PolarHBondContact O-N 3.43Å; L479-N485 PolarHBondContact O-ND2 3.18Å |
| 480 | L | 88.9 | Confident | 86.4 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.9 | -28.7 | -178.6 | -66.5 | 177.7 | 0 | 0 | 0 | 113.1 | V476 A477 P478 L482 N485 L496 E504 I507 L508 | V476-L480 HydrophobicContact CG1-CD1 3.86Å; V476-L480 HydrophobicContact CG1-CG 4.36Å; V476-L480 WeakPolarHBondContact O-CG 3.45Å; V476-L480 PolarHBondContact O-N 3.46Å; A477-L480 PolarHBondContact O-N 2.97Å; P478-L480 VanDerWaalsContact C-N 3.34Å; P478-L480 PolarHBondContact O-N 2.87Å; L480-L482 VanDerWaalsContact C-N 3.33Å; L480-N485 WeakPolarHBondContact CA-ND2 3.18Å; L480-L496 HydrophobicContact CD1-CD1 4.28Å; L480-E504 HydrophobicContact CD1-CB 3.88Å; L480-E504 VanDerWaalsContact CD1-O 3.29Å; L480-E504 WeakPolarHBondContact CD1-O 3.36Å; L480-I507 HydrophobicContact CB-CG2 3.85Å; L480-L508 HydrophobicContact CD1-CB 4.36Å; L480-L508 HydrophobicContact CD2-CB 4.28Å; L480-L508 HydrophobicContact CD2-CD1 3.93Å |
| 481 | R | 88.2 | Confident | 86.4 | Confident | 138 Ų | 138 | 59.5 Ų | 59.5 | 52% | 0.521 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -78.4 | -13.3 | 179.1 | -71.9 | 177.2 | -163.8 | 132.1 | 1.8 | 114.3 | A477 P478 L479 E483 I507 | A477-R481 VanDerWaalsContact O-CG 3.3Å; A477-R481 WeakPolarHBondContact O-CG 3.33Å; A477-R481 PolarHBondContact O-N 3.42Å; A477-R481 VanDerWaalsContact O-N 3.07Å; P478-R481 PolarHBondContact O-N 2.9Å; L479-R481 VanDerWaalsContact C-N 3.33Å; L479-R481 PolarHBondContact O-N 3.43Å; R481-E483 PolarHBondContact O-N 3.42Å; R481-I507 HydrophobicContact CG-CG2 3.79Å |
| 482 | L | 86.4 | Confident | 86.5 | Confident | 72 Ų | 72 | 58.2 Ų | 58.2 | 38% | 0.377 | 30% | 0.3 | S | S | . | . | trans | -60.1 | 134 | 178.4 | -63.7 | 175.6 | 0 | 0 | 0 | 110.7 | L479 L480 N484 N485 | L479-L482 HydrophobicContact CD1-CD1 4.12Å; L479-L482 PolarHBondContact O-N 3.43Å; L480-L482 VanDerWaalsContact C-N 3.33Å; L482-N484 VanDerWaalsContact C-N 3.28Å; L482-N484 PolarHBondContact O-N 2.97Å; L482-N485 VanDerWaalsContact O-CB 3.25Å; L482-N485 WeakPolarHBondContact O-CB 3.25Å; L482-N485 PolarHBondContact O-N 2.91Å | ||
| 483 | E | 74.7 | Confident | 86.7 | Confident | 182 Ų | 182 | 56.3 Ų | 56.3 | 85% | 0.85 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -39.8 | 178.9 | -64.8 | 179.6 | 171.5 | 0 | 0 | 112 | R481 N485 | R481-E483 PolarHBondContact O-N 3.42Å; E483-N485 VanDerWaalsContact C-N 3.26Å; E483-N485 PolarHBondContact O-N 3.45Å |
| 484 | N | 78.8 | Confident | 86.8 | Confident | 83 Ų | 83 | 59.4 Ų | 59.4 | 44% | 0.444 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 40.8 | 176.8 | -66.5 | -30.9 | 0 | 0 | 0 | 112.6 | R424 L482 H486 | R424-N484 PolarHBondContact NH2-O 3.3Å; R424-N484 VanDerWaalsContact NH2-O 3.12Å; L482-N484 VanDerWaalsContact C-N 3.28Å; L482-N484 PolarHBondContact O-N 2.97Å; N484-H486 PolarHBondContact O-CE1 3.47Å; N484-H486 PolarHBondContact O-ND1 2.96Å |
| 485 | N | 84 | Confident | 86.9 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 6% | 0.059 | 28% | 0.279 | C | S | . | . | trans | -78.8 | 119.2 | 174.3 | -177.8 | -61.7 | 0 | 0 | 0 | 110.6 | L479 L480 L482 E483 C487 K512 | L479-N485 PolarHBondContact O-ND2 3.18Å; L480-N485 WeakPolarHBondContact CA-ND2 3.18Å; L482-N485 VanDerWaalsContact O-CB 3.25Å; L482-N485 WeakPolarHBondContact O-CB 3.25Å; L482-N485 PolarHBondContact O-N 2.91Å; E483-N485 VanDerWaalsContact C-N 3.26Å; E483-N485 PolarHBondContact O-N 3.45Å; N485-C487 PolarHBondContact ND2-SG 3.08Å; N485-C487 VanDerWaalsContact ND2-SG 3.39Å; N485-C487 WeakPolarHBondContact OD1-CB 3.32Å; N485-C487 PolarHBondContact OD1-N 3.3Å; N485-C487 PolarHBondContact OD1-SG 3Å; N485-K512 PolarHBondContact O-NZ 3.2Å | ||
| 486 | H | 85 | Confident | 87 | Confident | 36 Ų | 36 | 53.7 Ų | 53.7 | 17% | 0.167 | 26% | 0.261 | C | S | . | . | trans | -106.8 | 11.9 | -178.6 | -65.2 | 82.2 | 0 | 0 | 0 | 113.4 | L457 Q458 D461 N484 H488 | L457-H486 HydrophobicContact CB-CB 4.2Å; Q458-H486 VanDerWaalsContact CA-O 3.22Å; Q458-H486 WeakPolarHBondContact CA-O 3.11Å; Q458-H486 HydrophobicContact CB-CB 4.21Å; Q458-H486 WeakPolarHBondContact CB-O 3.37Å; Q458-H486 WeakPolarHBondContact CG-O 3.25Å; D461-H486 PolarHBondContact OD2-N 3.3Å; D461-H486 IonicContact OD2-ND1 3.97Å; N484-H486 PolarHBondContact O-CE1 3.47Å; N484-H486 PolarHBondContact O-ND1 2.96Å; H486-H488 PolarHBondContact O-N 2.92Å | ||
| 487 | C | 87.3 | Confident | 87 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.007 | 28% | 0.278 | C | S | . | . | trans | -48.4 | 136.8 | -178.3 | -70.9 | 0 | 0 | 0 | 0 | 112.1 | N485 I489 S492 L508 | N485-C487 PolarHBondContact ND2-SG 3.08Å; N485-C487 VanDerWaalsContact ND2-SG 3.39Å; N485-C487 WeakPolarHBondContact OD1-CB 3.32Å; N485-C487 PolarHBondContact OD1-N 3.3Å; N485-C487 PolarHBondContact OD1-SG 3Å; C487-I489 PolarHBondContact O-N 2.65Å; C487-S492 WeakPolarHBondContact CB-OG 3.47Å; C487-L508 HydrophobicContact CB-CD1 4.35Å | ||
| 488 | H | 87.9 | Confident | 87.1 | Confident | 68 Ų | 68 | 64.8 Ų | 64.8 | 32% | 0.315 | 31% | 0.307 | S | S | . | . | trans | -70.1 | 121.5 | 174.8 | -171.3 | -90.9 | 0 | 0 | 0 | 109.5 | Q458 T462 H486 E490 E491 S492 | Q458-H488 HydrophobicContact CG-CB 4.02Å; Q458-H488 PolarHBondContact NE2-CD2 2.91Å; T462-H488 HydrophobicContact CG2-CB 4.33Å; T462-H488 PolarHBondContact OG1-N 3.27Å; H486-H488 PolarHBondContact O-N 2.92Å; H488-E490 IonicContact CE1-OE2 2.77Å; H488-E491 HydrophobicContact CB-CB 4.25Å; H488-E491 PolarHBondContact ND1-N 3.37Å; H488-S492 WeakPolarHBondContact O-CB 3.37Å; H488-S492 PolarHBondContact O-N 3.24Å; H488-S492 PolarHBondContact O-OG 3.43Å | ||
| 489 | I | 87.1 | Confident | 87 | Confident | 59 Ų | 59 | 63.6 Ų | 63.6 | 30% | 0.303 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.9 | -53 | -166.1 | -60 | 174.3 | 0 | 0 | 0 | 111.4 | C487 E491 S492 E493 K512 L514 | C487-I489 PolarHBondContact O-N 2.65Å; I489-E491 VanDerWaalsContact C-N 3.34Å; I489-E491 PolarHBondContact O-N 2.91Å; I489-S492 PolarHBondContact O-N 3.03Å; I489-E493 VanDerWaalsContact O-CB 3.25Å; I489-E493 WeakPolarHBondContact O-CB 3.45Å; I489-E493 PolarHBondContact O-N 3.04Å; I489-K512 HydrophobicContact CD1-CB 4.43Å; I489-K512 HydrophobicContact CD1-CD 4.25Å; I489-K512 HydrophobicContact CD1-CG 4.3Å; I489-K512 HydrophobicContact CG1-CD 4.29Å; I489-K512 HydrophobicContact CG1-CG 4.28Å; I489-L514 HydrophobicContact CD1-CD1 4.22Å; I489-L514 HydrophobicContact CG2-CD1 3.83Å |
| 490 | E | 87.9 | Confident | 87 | Confident | 148 Ų | 148 | 69.7 Ų | 69.7 | 69% | 0.692 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.1 | -38.5 | -174.8 | -60.7 | 176.6 | 168.4 | 0 | 0 | 112.5 | H488 H494 | H488-E490 IonicContact CE1-OE2 2.77Å; E490-H494 WeakPolarHBondContact O-CB 3.47Å; E490-H494 PolarHBondContact O-N 3.47Å |
| 491 | E | 86.6 | Confident | 87 | Confident | 69 Ų | 69 | 73 Ų | 73 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -72.9 | -43.6 | -179.3 | -175.6 | 66.6 | -171.6 | 0 | 0 | 110.1 | T462 K466 H488 I489 E493 H494 V495 | T462-E491 HydrophobicContact CG2-CB 4.11Å; T462-E491 HydrophobicContact CG2-CG 3.73Å; K466-E491 WeakPolarHBondContact CE-OE1 3.44Å; K466-E491 IonicContact NZ-OE1 2.84Å; K466-E491 PolarHBondContact NZ-OE1 3.15Å; H488-E491 HydrophobicContact CB-CB 4.25Å; H488-E491 PolarHBondContact ND1-N 3.37Å; I489-E491 VanDerWaalsContact C-N 3.34Å; I489-E491 PolarHBondContact O-N 2.91Å; E491-E493 VanDerWaalsContact C-N 3.33Å; E491-E493 PolarHBondContact O-N 3.46Å; E491-H494 PolarHBondContact O-N 2.9Å; E491-V495 WeakPolarHBondContact O-CB 3.5Å; E491-V495 VanDerWaalsContact O-CG2 3.22Å; E491-V495 WeakPolarHBondContact O-CG2 3.17Å; E491-V495 PolarHBondContact O-N 2.94Å |
| 492 | S | 89.8 | Confident | 87.1 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.007 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 177.2 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | L465 C487 H488 I489 L496 | L465-S492 WeakPolarHBondContact CD2-OG 3.36Å; C487-S492 WeakPolarHBondContact CB-OG 3.47Å; H488-S492 WeakPolarHBondContact O-CB 3.37Å; H488-S492 PolarHBondContact O-N 3.24Å; H488-S492 PolarHBondContact O-OG 3.43Å; I489-S492 PolarHBondContact O-N 3.03Å; S492-L496 VanDerWaalsContact O-CB 3.26Å; S492-L496 WeakPolarHBondContact O-CB 3.19Å; S492-L496 WeakPolarHBondContact O-CD1 3.26Å; S492-L496 WeakPolarHBondContact O-CG 3.22Å; S492-L496 PolarHBondContact O-N 2.75Å |
| 493 | E | 90.6 | Very high | 87.2 | Confident | 35 Ų | 35 | 67 Ų | 67 | 16% | 0.164 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.8 | -49.4 | 173.1 | 174.7 | 176.3 | 160.9 | 0 | 0 | 111.4 | I489 E491 V495 K497 L505 Y509 | I489-E493 VanDerWaalsContact O-CB 3.25Å; I489-E493 WeakPolarHBondContact O-CB 3.45Å; I489-E493 PolarHBondContact O-N 3.04Å; E491-E493 VanDerWaalsContact C-N 3.33Å; E491-E493 PolarHBondContact O-N 3.46Å; E493-V495 PolarHBondContact O-N 3.45Å; E493-K497 HydrophobicContact CG-CD 3.95Å; E493-K497 HydrophobicContact CG-CG 4.5Å; E493-K497 VanDerWaalsContact O-CB 3.32Å; E493-K497 WeakPolarHBondContact O-CB 3.47Å; E493-K497 VanDerWaalsContact O-CG 3.3Å; E493-K497 WeakPolarHBondContact O-CG 3.39Å; E493-K497 PolarHBondContact O-N 3.3Å; E493-K497 WeakPolarHBondContact OE1-CE 3.27Å; E493-K497 IonicContact OE1-NZ 2.67Å; E493-K497 PolarHBondContact OE1-NZ 3.25Å; E493-L505 HydrophobicContact CB-CD1 4.21Å; E493-L505 HydrophobicContact CG-CD1 4.24Å; E493-Y509 WeakPolarHBondContact CG-OH 3.32Å; E493-Y509 PolarHBondContact OE1-OH 3.29Å; E493-Y509 PolarHBondContact OE2-OH 3.49Å |
| 494 | H | 89.3 | Confident | 87.9 | Confident | 113 Ų | 113 | 60 Ų | 60 | 52% | 0.523 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59 | -48.9 | 179 | -179.3 | 76.2 | 0 | 0 | 0 | 111.7 | E490 E491 K497 K498 | E490-H494 WeakPolarHBondContact O-CB 3.47Å; E490-H494 PolarHBondContact O-N 3.47Å; E491-H494 PolarHBondContact O-N 2.9Å; H494-K497 PolarHBondContact O-N 3.36Å; H494-K498 WeakPolarHBondContact O-CB 3.38Å; H494-K498 PolarHBondContact O-N 3Å |
| 495 | V | 89.4 | Confident | 88.5 | Confident | 27 Ų | 27 | 56.1 Ų | 56.1 | 16% | 0.164 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.8 | -43.1 | -177.1 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | K466 L469 E491 E493 K498 A499 | K466-V495 HydrophobicContact CG-CG1 4.34Å; K466-V495 HydrophobicContact CG-CG2 4.32Å; L469-V495 HydrophobicContact CD1-CG1 3.34Å; E491-V495 WeakPolarHBondContact O-CB 3.5Å; E491-V495 VanDerWaalsContact O-CG2 3.22Å; E491-V495 WeakPolarHBondContact O-CG2 3.17Å; E491-V495 PolarHBondContact O-N 2.94Å; E493-V495 PolarHBondContact O-N 3.45Å; V495-K498 PolarHBondContact O-N 3.44Å; V495-A499 WeakPolarHBondContact O-CB 3.47Å; V495-A499 PolarHBondContact O-N 3.45Å |
| 496 | L | 90.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 177.8 | -72.3 | 169.5 | 0 | 0 | 0 | 112.4 | L465 L469 V476 L480 S492 A499 H500 K501 E504 L505 L508 | L465-L496 HydrophobicContact CD1-CD2 4.3Å; L469-L496 HydrophobicContact CD1-CD2 4.27Å; L469-L496 HydrophobicContact CD2-CD2 4.43Å; V476-L496 HydrophobicContact CG1-CD2 4.17Å; L480-L496 HydrophobicContact CD1-CD1 4.28Å; S492-L496 VanDerWaalsContact O-CB 3.26Å; S492-L496 WeakPolarHBondContact O-CB 3.19Å; S492-L496 WeakPolarHBondContact O-CD1 3.26Å; S492-L496 WeakPolarHBondContact O-CG 3.22Å; S492-L496 PolarHBondContact O-N 2.75Å; L496-A499 CarbonylContact O-C 2.87Å; L496-A499 PolarHBondContact O-N 3.41Å; L496-H500 PolarHBondContact O-N 3.28Å; L496-H500 VanDerWaalsContact O-N 3.15Å; L496-K501 HydrophobicContact CD2-CB 4Å; L496-K501 PolarHBondContact O-N 2.94Å; L496-E504 HydrophobicContact CD2-CB 3.91Å; L496-L505 HydrophobicContact CB-CB 4.33Å; L496-L505 HydrophobicContact CB-CD1 4.38Å; L496-L505 HydrophobicContact CD1-CB 4.28Å; L496-L505 HydrophobicContact CD1-CD1 4.13Å; L496-L508 HydrophobicContact CD1-CD2 4.13Å |
| 497 | K | 89.3 | Confident | 89.1 | Confident | 83 Ų | 83 | 55.5 Ų | 55.5 | 36% | 0.361 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 174.3 | -76.8 | 179.8 | 175.1 | 176.8 | 0 | 111.3 | E493 H494 A499 H500 L505 | E493-K497 HydrophobicContact CG-CD 3.95Å; E493-K497 HydrophobicContact CG-CG 4.5Å; E493-K497 VanDerWaalsContact O-CB 3.32Å; E493-K497 WeakPolarHBondContact O-CB 3.47Å; E493-K497 VanDerWaalsContact O-CG 3.3Å; E493-K497 WeakPolarHBondContact O-CG 3.39Å; E493-K497 PolarHBondContact O-N 3.3Å; E493-K497 WeakPolarHBondContact OE1-CE 3.27Å; E493-K497 IonicContact OE1-NZ 2.67Å; E493-K497 PolarHBondContact OE1-NZ 3.25Å; H494-K497 PolarHBondContact O-N 3.36Å; K497-A499 VanDerWaalsContact C-N 3.27Å; K497-A499 PolarHBondContact O-N 3Å; K497-H500 PolarHBondContact O-N 3.02Å; K497-L505 HydrophobicContact CD-CD2 4.5Å; K497-L505 HydrophobicContact CG-CD2 3.86Å |
| 498 | K | 89.1 | Confident | 89.3 | Confident | 160 Ų | 160 | 55.6 Ų | 55.6 | 70% | 0.696 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -59.4 | -38.6 | 176 | -172.8 | 179.2 | 179.1 | -178 | 0 | 111.8 | H494 V495 H500 | H494-K498 WeakPolarHBondContact O-CB 3.38Å; H494-K498 PolarHBondContact O-N 3Å; V495-K498 PolarHBondContact O-N 3.44Å; K498-H500 VanDerWaalsContact C-N 3.28Å; K498-H500 PolarHBondContact O-N 3.22Å; K498-H500 PolarHBondContact O-ND1 3.32Å; K498-H500 VanDerWaalsContact O-ND1 3.08Å |
| 499 | A | 87.6 | Confident | 89.5 | Confident | 40 Ų | 40 | 52.5 Ų | 52.5 | 33% | 0.331 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -0.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L469 V495 L496 K497 K501 | L469-A499 HydrophobicContact CD2-CB 4.18Å; V495-A499 WeakPolarHBondContact O-CB 3.47Å; V495-A499 PolarHBondContact O-N 3.45Å; L496-A499 CarbonylContact O-C 2.87Å; L496-A499 PolarHBondContact O-N 3.41Å; K497-A499 VanDerWaalsContact C-N 3.27Å; K497-A499 PolarHBondContact O-N 3Å; A499-K501 HydrophobicContact CB-CG 3.95Å; A499-K501 PolarHBondContact O-N 2.78Å |
| 500 | H | 88.2 | Confident | 89.6 | Confident | 136 Ų | 136 | 52.5 Ų | 52.5 | 63% | 0.63 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 30.1 | -175.8 | -57 | 66.4 | 0 | 0 | 0 | 113.6 | L496 K497 K498 Y502 | L496-H500 PolarHBondContact O-N 3.28Å; L496-H500 VanDerWaalsContact O-N 3.15Å; K497-H500 PolarHBondContact O-N 3.02Å; K498-H500 VanDerWaalsContact C-N 3.28Å; K498-H500 PolarHBondContact O-N 3.22Å; K498-H500 PolarHBondContact O-ND1 3.32Å; K498-H500 VanDerWaalsContact O-ND1 3.08Å; H500-Y502 HydrophobicContact CB-CE2 4.24Å; H500-Y502 PolarHBondContact O-N 3.39Å |
| 501 | K | 89.7 | Confident | 89.7 | Confident | 72 Ų | 72 | 50.8 Ų | 50.8 | 31% | 0.313 | 24% | 0.242 | S | C | . | . | trans | -98 | 68.9 | -178.3 | -66.3 | -62 | 172.5 | 176.8 | 0 | 111.4 | L469 V473 L496 A499 E504 L505 | L469-K501 HydrophobicContact CD2-CG 4.14Å; V473-K501 HydrophobicContact CG1-CD 4.04Å; L496-K501 HydrophobicContact CD2-CB 4Å; L496-K501 PolarHBondContact O-N 2.94Å; A499-K501 HydrophobicContact CB-CG 3.95Å; A499-K501 PolarHBondContact O-N 2.78Å; K501-E504 HydrophobicContact CB-CB 4.39Å; K501-E504 WeakPolarHBondContact CB-OE2 3.29Å; K501-L505 PolarHBondContact O-N 2.75Å | ||
| 502 | Y | 89.3 | Confident | 89.7 | Confident | 46 Ų | 46 | 50.8 Ų | 50.8 | 18% | 0.18 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.6 | -31.5 | -175 | -59.9 | -70.8 | 0 | 0 | 0 | 113.6 | H500 E504 L505 I506 V521 Q525 | H500-Y502 HydrophobicContact CB-CE2 4.24Å; H500-Y502 PolarHBondContact O-N 3.39Å; Y502-E504 VanDerWaalsContact C-N 3.34Å; Y502-E504 PolarHBondContact O-N 3.07Å; Y502-L505 HydrophobicContact CD1-CD2 4.46Å; Y502-L505 WeakPolarHBondContact O-CB 3.16Å; Y502-L505 PolarHBondContact O-N 2.86Å; Y502-I506 WeakPolarHBondContact O-CG1 3.5Å; Y502-I506 PolarHBondContact O-N 3.24Å; Y502-V521 HydrophobicContact CD1-CG1 4.22Å; Y502-Q525 HydrophobicContact CD2-CG 4.49Å; Y502-Q525 HydrophobicContact CG-CG 4.25Å |
| 503 | S | 89 | Confident | 89.6 | Confident | 38 Ų | 38 | 53 Ų | 53 | 27% | 0.266 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 176.4 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | I506 I507 | S503-I506 PolarHBondContact O-N 3.33Å; S503-I507 WeakPolarHBondContact O-CG1 3.48Å; S503-I507 PolarHBondContact O-N 3.46Å |
| 504 | E | 90.1 | Very high | 89.6 | Confident | 35 Ų | 35 | 53.9 Ų | 53.9 | 16% | 0.164 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.9 | -36.9 | 175.6 | -67.9 | 71.6 | -159.7 | 0 | 0 | 111.5 | V476 A477 L480 L496 K501 Y502 I506 I507 L508 | V476-E504 HydrophobicContact CB-CG 4.26Å; V476-E504 HydrophobicContact CG1-CB 3.97Å; V476-E504 HydrophobicContact CG1-CG 3.68Å; A477-E504 HydrophobicContact CB-CG 4.43Å; L480-E504 HydrophobicContact CD1-CB 3.88Å; L480-E504 VanDerWaalsContact CD1-O 3.29Å; L480-E504 WeakPolarHBondContact CD1-O 3.36Å; L496-E504 HydrophobicContact CD2-CB 3.91Å; K501-E504 HydrophobicContact CB-CB 4.39Å; K501-E504 WeakPolarHBondContact CB-OE2 3.29Å; Y502-E504 VanDerWaalsContact C-N 3.34Å; Y502-E504 PolarHBondContact O-N 3.07Å; E504-I506 VanDerWaalsContact C-N 3.32Å; E504-I506 PolarHBondContact O-N 3.44Å; E504-I507 WeakPolarHBondContact O-CB 3.49Å; E504-I507 PolarHBondContact O-N 3.07Å; E504-L508 PolarHBondContact O-N 3.5Å |
| 505 | L | 90.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 175 | -177.2 | 61.8 | 0 | 0 | 0 | 112.4 | E493 L496 K497 K501 Y502 I507 L508 Y509 V521 | E493-L505 HydrophobicContact CB-CD1 4.21Å; E493-L505 HydrophobicContact CG-CD1 4.24Å; L496-L505 HydrophobicContact CB-CB 4.33Å; L496-L505 HydrophobicContact CB-CD1 4.38Å; L496-L505 HydrophobicContact CD1-CB 4.28Å; L496-L505 HydrophobicContact CD1-CD1 4.13Å; K497-L505 HydrophobicContact CD-CD2 4.5Å; K497-L505 HydrophobicContact CG-CD2 3.86Å; K501-L505 PolarHBondContact O-N 2.75Å; Y502-L505 HydrophobicContact CD1-CD2 4.46Å; Y502-L505 WeakPolarHBondContact O-CB 3.16Å; Y502-L505 PolarHBondContact O-N 2.86Å; L505-I507 VanDerWaalsContact C-N 3.34Å; L505-L508 HydrophobicContact CD1-CD2 4.26Å; L505-L508 WeakPolarHBondContact O-CB 3.36Å; L505-L508 PolarHBondContact O-N 3.5Å; L505-Y509 HydrophobicContact CD1-CD2 4.39Å; L505-Y509 HydrophobicContact CD1-CE1 4.13Å; L505-Y509 HydrophobicContact CD1-CE2 3.87Å; L505-Y509 HydrophobicContact CD2-CE2 3.95Å; L505-Y509 HydrophobicContact CG-CD2 4.07Å; L505-Y509 HydrophobicContact CG-CE2 3.61Å; L505-Y509 WeakPolarHBondContact O-CD2 3.4Å; L505-Y509 PolarHBondContact O-N 3.32Å; L505-V521 HydrophobicContact CD2-CG2 4.32Å |
| 506 | I | 90.6 | Very high | 90 | Very high | 13 Ų | 13 | 54.6 Ų | 54.6 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63 | -42.4 | 175.4 | -68.2 | 159.5 | 0 | 0 | 0 | 110.7 | Y502 S503 E504 L508 Y509 E510 A518 V521 L522 L533 Y542 | Y502-I506 WeakPolarHBondContact O-CG1 3.5Å; Y502-I506 PolarHBondContact O-N 3.24Å; S503-I506 PolarHBondContact O-N 3.33Å; E504-I506 VanDerWaalsContact C-N 3.32Å; E504-I506 PolarHBondContact O-N 3.44Å; I506-L508 VanDerWaalsContact C-N 3.32Å; I506-L508 PolarHBondContact O-N 2.89Å; I506-Y509 PolarHBondContact O-N 3.23Å; I506-E510 VanDerWaalsContact O-CB 3.32Å; I506-E510 WeakPolarHBondContact O-CB 3.42Å; I506-E510 PolarHBondContact O-N 3.05Å; I506-A518 HydrophobicContact CG2-CB 4.35Å; I506-V521 HydrophobicContact CD1-CG1 4.42Å; I506-V521 HydrophobicContact CG1-CG1 4.25Å; I506-L522 HydrophobicContact CD1-CD2 3.52Å; I506-L522 HydrophobicContact CD1-CG 3.71Å; I506-L522 HydrophobicContact CG1-CG 4.36Å; I506-L533 HydrophobicContact CD1-CD1 3.46Å; I506-L533 VanDerWaalsContact CD1-CD1 3.46Å; I506-L533 HydrophobicContact CD1-CD2 4.25Å; I506-L533 HydrophobicContact CD1-CG 4.48Å; I506-Y542 HydrophobicContact CG2-CD2 3.89Å; I506-Y542 HydrophobicContact CG2-CE2 3.62Å |
| 507 | I | 90.4 | Very high | 90 | Very high | 22 Ų | 22 | 58.8 Ų | 58.8 | 11% | 0.113 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.6 | -42.7 | 175.9 | -62.9 | 170.2 | 0 | 0 | 0 | 110.7 | A477 L480 R481 S503 E504 L505 E510 K511 | A477-I507 HydrophobicContact CB-CD1 4.02Å; L480-I507 HydrophobicContact CB-CG2 3.85Å; R481-I507 HydrophobicContact CG-CG2 3.79Å; S503-I507 WeakPolarHBondContact O-CG1 3.48Å; S503-I507 PolarHBondContact O-N 3.46Å; E504-I507 WeakPolarHBondContact O-CB 3.49Å; E504-I507 PolarHBondContact O-N 3.07Å; L505-I507 VanDerWaalsContact C-N 3.34Å; I507-E510 PolarHBondContact O-N 2.92Å; I507-K511 HydrophobicContact CG2-CG 4.45Å; I507-K511 WeakPolarHBondContact O-CB 3.3Å; I507-K511 WeakPolarHBondContact O-CG 3.38Å; I507-K511 PolarHBondContact O-N 3.36Å |
| 508 | L | 90.8 | Very high | 90.2 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.9 | -48.3 | 176.3 | 175.5 | 69 | 0 | 0 | 0 | 111.1 | L480 C487 L496 E504 L505 I506 K511 K512 | L480-L508 HydrophobicContact CD1-CB 4.36Å; L480-L508 HydrophobicContact CD2-CB 4.28Å; L480-L508 HydrophobicContact CD2-CD1 3.93Å; C487-L508 HydrophobicContact CB-CD1 4.35Å; L496-L508 HydrophobicContact CD1-CD2 4.13Å; E504-L508 PolarHBondContact O-N 3.5Å; L505-L508 HydrophobicContact CD1-CD2 4.26Å; L505-L508 WeakPolarHBondContact O-CB 3.36Å; L505-L508 PolarHBondContact O-N 3.5Å; I506-L508 VanDerWaalsContact C-N 3.32Å; I506-L508 PolarHBondContact O-N 2.89Å; L508-K511 PolarHBondContact O-N 2.91Å; L508-K512 HydrophobicContact CD1-CG 4.18Å; L508-K512 WeakPolarHBondContact O-CB 3.39Å; L508-K512 WeakPolarHBondContact O-CG 3.45Å; L508-K512 PolarHBondContact O-N 3.47Å; L508-K512 VanDerWaalsContact O-N 3.08Å |
| 509 | Y | 92.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65 | -42.3 | 179.6 | -72 | -31.2 | 0 | 0 | 0 | 112.6 | E493 L505 I506 K512 G513 L514 K517 A518 V521 | E493-Y509 WeakPolarHBondContact CG-OH 3.32Å; E493-Y509 PolarHBondContact OE1-OH 3.29Å; E493-Y509 PolarHBondContact OE2-OH 3.49Å; L505-Y509 HydrophobicContact CD1-CD2 4.39Å; L505-Y509 HydrophobicContact CD1-CE1 4.13Å; L505-Y509 HydrophobicContact CD1-CE2 3.87Å; L505-Y509 HydrophobicContact CD2-CE2 3.95Å; L505-Y509 HydrophobicContact CG-CD2 4.07Å; L505-Y509 HydrophobicContact CG-CE2 3.61Å; L505-Y509 WeakPolarHBondContact O-CD2 3.4Å; L505-Y509 PolarHBondContact O-N 3.32Å; I506-Y509 PolarHBondContact O-N 3.23Å; Y509-K512 CarbonylContact O-C 3.38Å; Y509-K512 PolarHBondContact O-N 3.41Å; Y509-G513 PolarHBondContact O-N 2.92Å; Y509-G513 VanDerWaalsContact O-N 3.08Å; Y509-L514 HydrophobicContact CD1-CB 4.05Å; Y509-L514 HydrophobicContact CD1-CD1 4.01Å; Y509-L514 HydrophobicContact CE1-CD1 4.4Å; Y509-L514 HydrophobicContact CG-CB 4.39Å; Y509-L514 PolarHBondContact O-N 3.26Å; Y509-K517 HydrophobicContact CD1-CB 4.33Å; Y509-K517 HydrophobicContact CD2-CB 3.96Å; Y509-K517 HydrophobicContact CE1-CB 4.21Å; Y509-K517 HydrophobicContact CE1-CD 4.03Å; Y509-K517 HydrophobicContact CE2-CB 3.8Å; Y509-K517 HydrophobicContact CG-CB 4.21Å; Y509-A518 HydrophobicContact CD2-CB 4.22Å; Y509-A518 HydrophobicContact CG-CB 4.5Å; Y509-V521 HydrophobicContact CE2-CG2 4.07Å |
| 510 | E | 90.3 | Very high | 90.5 | Very high | 60 Ų | 60 | 50.2 Ų | 50.2 | 28% | 0.28 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.2 | -51.2 | 174.5 | -173.2 | -173.9 | 163.5 | 0 | 0 | 111.2 | I506 I507 K512 G513 Y542 | I506-E510 VanDerWaalsContact O-CB 3.32Å; I506-E510 WeakPolarHBondContact O-CB 3.42Å; I506-E510 PolarHBondContact O-N 3.05Å; I507-E510 PolarHBondContact O-N 2.92Å; E510-K512 PolarHBondContact O-N 3.22Å; E510-G513 PolarHBondContact O-N 3.45Å; E510-G513 VanDerWaalsContact O-N 3.15Å; E510-Y542 WeakPolarHBondContact CA-OH 3.4Å; E510-Y542 HydrophobicContact CB-CE2 4Å; E510-Y542 WeakPolarHBondContact CB-OH 3.4Å; E510-Y542 HydrophobicContact CG-CE2 4.07Å |
| 511 | K | 89.1 | Confident | 90.7 | Very high | 111 Ų | 111 | 44.4 Ų | 44.4 | 48% | 0.483 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -69.6 | -17.8 | -179.8 | -68.5 | -65.6 | -177 | -173.9 | 0 | 114.1 | I507 L508 | I507-K511 HydrophobicContact CG2-CG 4.45Å; I507-K511 WeakPolarHBondContact O-CB 3.3Å; I507-K511 WeakPolarHBondContact O-CG 3.38Å; I507-K511 PolarHBondContact O-N 3.36Å; L508-K511 PolarHBondContact O-N 2.91Å |
| 512 | K | 87.8 | Confident | 90.7 | Very high | 70 Ų | 70 | 41.2 Ų | 41.2 | 30% | 0.304 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 2.2 | 175.4 | -64.5 | -67.3 | 176.8 | -171.7 | 0 | 113.3 | N485 I489 L508 Y509 E510 L514 | N485-K512 PolarHBondContact O-NZ 3.2Å; I489-K512 HydrophobicContact CD1-CB 4.43Å; I489-K512 HydrophobicContact CD1-CD 4.25Å; I489-K512 HydrophobicContact CD1-CG 4.3Å; I489-K512 HydrophobicContact CG1-CD 4.29Å; I489-K512 HydrophobicContact CG1-CG 4.28Å; L508-K512 HydrophobicContact CD1-CG 4.18Å; L508-K512 WeakPolarHBondContact O-CB 3.39Å; L508-K512 WeakPolarHBondContact O-CG 3.45Å; L508-K512 PolarHBondContact O-N 3.47Å; L508-K512 VanDerWaalsContact O-N 3.08Å; Y509-K512 CarbonylContact O-C 3.38Å; Y509-K512 PolarHBondContact O-N 3.41Å; E510-K512 PolarHBondContact O-N 3.22Å; K512-L514 HydrophobicContact CB-CD1 4.31Å; K512-L514 HydrophobicContact CB-CG 4.23Å; K512-L514 PolarHBondContact O-N 3.36Å |
| 513 | G | 87.3 | Confident | 90.8 | Very high | 46 Ų | 46 | 40.3 Ų | 40.3 | 47% | 0.474 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 14.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y509 E510 H515 | Y509-G513 PolarHBondContact O-N 2.92Å; Y509-G513 VanDerWaalsContact O-N 3.08Å; E510-G513 PolarHBondContact O-N 3.45Å; E510-G513 VanDerWaalsContact O-N 3.15Å; G513-H515 PolarHBondContact O-N 3.24Å; G513-H515 VanDerWaalsContact O-N 3.12Å |
| 514 | L | 91.6 | Very high | 90.8 | Very high | 54 Ų | 54 | 42.6 Ų | 42.6 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | trans | -88.8 | 55.9 | -179.5 | -63.2 | 177.1 | 0 | 0 | 0 | 110.9 | I489 Y509 K512 E516 K517 A518 | I489-L514 HydrophobicContact CD1-CD1 4.22Å; I489-L514 HydrophobicContact CG2-CD1 3.83Å; Y509-L514 HydrophobicContact CD1-CB 4.05Å; Y509-L514 HydrophobicContact CD1-CD1 4.01Å; Y509-L514 HydrophobicContact CE1-CD1 4.4Å; Y509-L514 HydrophobicContact CG-CB 4.39Å; Y509-L514 PolarHBondContact O-N 3.26Å; K512-L514 HydrophobicContact CB-CD1 4.31Å; K512-L514 HydrophobicContact CB-CG 4.23Å; K512-L514 PolarHBondContact O-N 3.36Å; L514-E516 VanDerWaalsContact C-N 3.35Å; L514-E516 PolarHBondContact O-N 2.72Å; L514-K517 PolarHBondContact O-N 3.5Å; L514-A518 PolarHBondContact O-N 3.41Å | ||
| 515 | H | 92.8 | Very high | 90.7 | Very high | 34 Ų | 34 | 41.4 Ų | 41.4 | 16% | 0.157 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.8 | -36.5 | -170.9 | -60.5 | -61.3 | 0 | 0 | 0 | 113.7 | G513 K517 A518 L519 Y542 L546 N550 L553 | G513-H515 PolarHBondContact O-N 3.24Å; G513-H515 VanDerWaalsContact O-N 3.12Å; H515-K517 PolarHBondContact O-N 2.75Å; H515-A518 WeakPolarHBondContact O-CB 3.49Å; H515-A518 PolarHBondContact O-N 3.09Å; H515-L519 WeakPolarHBondContact O-CB 3.31Å; H515-L519 WeakPolarHBondContact O-CG 3.41Å; H515-L519 PolarHBondContact O-N 2.99Å; H515-Y542 HydrophobicContact CB-CE1 4.49Å; H515-Y542 AromaticContact ND1-CZ 3.9Å; H515-Y542 PolarHBondContact ND1-OH 3.36Å; H515-L546 HydrophobicContact CB-CD2 3.97Å; H515-N550 PolarHBondContact CD2-ND2 3.28Å; H515-L553 HydrophobicContact CB-CD1 3.74Å |
| 516 | E | 92.4 | Very high | 90.5 | Very high | 121 Ų | 121 | 42 Ų | 42 | 57% | 0.565 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -60.3 | -45 | 177.4 | -174 | 178 | -162.8 | 0 | 0 | 111.8 | L514 A518 L519 Q520 L553 | L514-E516 VanDerWaalsContact C-N 3.35Å; L514-E516 PolarHBondContact O-N 2.72Å; E516-A518 PolarHBondContact O-N 3.05Å; E516-L519 PolarHBondContact O-N 3.45Å; E516-Q520 WeakPolarHBondContact O-CB 3.22Å; E516-Q520 PolarHBondContact O-N 3.47Å; E516-L553 HydrophobicContact CB-CD1 4.45Å; E516-L553 HydrophobicContact CB-CD2 4.13Å; E516-L553 HydrophobicContact CG-CD2 4.29Å |
| 517 | K | 91.4 | Very high | 90.3 | Very high | 89 Ų | 89 | 49.8 Ų | 49.8 | 39% | 0.387 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.4 | -38 | 176.5 | -68.1 | -172.3 | 176.1 | -174 | 0 | 112 | Y509 L514 H515 V521 | Y509-K517 HydrophobicContact CD1-CB 4.33Å; Y509-K517 HydrophobicContact CD2-CB 3.96Å; Y509-K517 HydrophobicContact CE1-CB 4.21Å; Y509-K517 HydrophobicContact CE1-CD 4.03Å; Y509-K517 HydrophobicContact CE2-CB 3.8Å; Y509-K517 HydrophobicContact CG-CB 4.21Å; L514-K517 PolarHBondContact O-N 3.5Å; H515-K517 PolarHBondContact O-N 2.75Å; K517-V521 WeakPolarHBondContact O-CG2 3.42Å; K517-V521 PolarHBondContact O-N 2.85Å; K517-V521 VanDerWaalsContact O-N 3.08Å |
| 518 | A | 92.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | I506 Y509 L514 H515 E516 V521 L522 Y542 | I506-A518 HydrophobicContact CG2-CB 4.35Å; Y509-A518 HydrophobicContact CD2-CB 4.22Å; Y509-A518 HydrophobicContact CG-CB 4.5Å; L514-A518 PolarHBondContact O-N 3.41Å; H515-A518 WeakPolarHBondContact O-CB 3.49Å; H515-A518 PolarHBondContact O-N 3.09Å; E516-A518 PolarHBondContact O-N 3.05Å; A518-V521 PolarHBondContact O-N 3.08Å; A518-L522 PolarHBondContact O-N 3.25Å; A518-Y542 HydrophobicContact CB-CE1 4.17Å; A518-Y542 HydrophobicContact CB-CE2 4.12Å; A518-Y542 VanDerWaalsContact CB-OH 3.31Å; A518-Y542 WeakPolarHBondContact CB-OH 3.47Å |
| 519 | L | 92.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 179.3 | -72.3 | 169.5 | 0 | 0 | 0 | 111.8 | H515 E516 V521 L522 V523 Y542 L543 L546 L553 Y557 | H515-L519 WeakPolarHBondContact O-CB 3.31Å; H515-L519 WeakPolarHBondContact O-CG 3.41Å; H515-L519 PolarHBondContact O-N 2.99Å; E516-L519 PolarHBondContact O-N 3.45Å; L519-V521 PolarHBondContact O-N 3.2Å; L519-L522 HydrophobicContact CD2-CD1 4.32Å; L519-L522 WeakPolarHBondContact O-CB 3.22Å; L519-L522 PolarHBondContact O-N 3.08Å; L519-V523 WeakPolarHBondContact O-CG2 3.42Å; L519-V523 PolarHBondContact O-N 3.17Å; L519-Y542 HydrophobicContact CD2-CD1 3.66Å; L519-Y542 HydrophobicContact CD2-CE1 4.23Å; L519-Y542 HydrophobicContact CD2-CG 4.44Å; L519-Y542 HydrophobicContact CG-CD1 4.1Å; L519-Y542 HydrophobicContact CG-CE1 4.15Å; L519-L543 HydrophobicContact CD1-CD2 3.99Å; L519-L543 HydrophobicContact CD2-CD2 3.64Å; L519-L543 HydrophobicContact CD2-CG 4.16Å; L519-L543 HydrophobicContact CG-CD2 4.49Å; L519-L546 HydrophobicContact CD1-CD1 3.96Å; L519-L553 HydrophobicContact CD1-CB 4.01Å; L519-Y557 HydrophobicContact CB-CD1 3.74Å; L519-Y557 HydrophobicContact CB-CD2 4.08Å; L519-Y557 HydrophobicContact CB-CE1 3.79Å; L519-Y557 HydrophobicContact CB-CE2 4.14Å; L519-Y557 HydrophobicContact CB-CG 3.88Å; L519-Y557 HydrophobicContact CD1-CD2 3.65Å; L519-Y557 HydrophobicContact CD1-CE2 4.17Å; L519-Y557 HydrophobicContact CD1-CG 3.89Å; L519-Y557 HydrophobicContact CG-CD2 4.46Å; L519-Y557 HydrophobicContact CG-CG 4.35Å |
| 520 | Q | 92.3 | Very high | 88.7 | Confident | 102 Ų | 102 | 64.8 Ų | 64.8 | 48% | 0.477 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 174.4 | -169.1 | 172.4 | 17.6 | 0 | 0 | 111.7 | E516 L522 V523 D524 | E516-Q520 WeakPolarHBondContact O-CB 3.22Å; E516-Q520 PolarHBondContact O-N 3.47Å; Q520-L522 VanDerWaalsContact C-N 3.34Å; Q520-L522 PolarHBondContact O-N 3.26Å; Q520-V523 PolarHBondContact O-N 3.4Å; Q520-D524 WeakPolarHBondContact O-CB 3.33Å; Q520-D524 VanDerWaalsContact O-CG 3.29Å; Q520-D524 PolarHBondContact O-N 3.12Å |
| 521 | V | 90.9 | Very high | 88.4 | Confident | 15 Ų | 15 | 62.6 Ų | 62.6 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.3 | -41 | 174.3 | 172 | 0 | 0 | 0 | 0 | 111.4 | Y502 L505 I506 Y509 K517 A518 L519 D524 Q525 | Y502-V521 HydrophobicContact CD1-CG1 4.22Å; L505-V521 HydrophobicContact CD2-CG2 4.32Å; I506-V521 HydrophobicContact CD1-CG1 4.42Å; I506-V521 HydrophobicContact CG1-CG1 4.25Å; Y509-V521 HydrophobicContact CE2-CG2 4.07Å; K517-V521 WeakPolarHBondContact O-CG2 3.42Å; K517-V521 PolarHBondContact O-N 2.85Å; K517-V521 VanDerWaalsContact O-N 3.08Å; A518-V521 PolarHBondContact O-N 3.08Å; L519-V521 PolarHBondContact O-N 3.2Å; V521-D524 PolarHBondContact O-N 3.04Å; V521-Q525 HydrophobicContact CG1-CG 4.08Å; V521-Q525 VanDerWaalsContact O-CB 3.25Å; V521-Q525 WeakPolarHBondContact O-CB 3.49Å; V521-Q525 WeakPolarHBondContact O-CG 3.43Å; V521-Q525 PolarHBondContact O-N 3.45Å |
| 522 | L | 91.1 | Very high | 87.9 | Confident | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 176 | -78.8 | 166.5 | 0 | 0 | 0 | 111.9 | I506 A518 L519 Q520 Q525 S526 R538 Y542 | I506-L522 HydrophobicContact CD1-CD2 3.52Å; I506-L522 HydrophobicContact CD1-CG 3.71Å; I506-L522 HydrophobicContact CG1-CG 4.36Å; A518-L522 PolarHBondContact O-N 3.25Å; L519-L522 HydrophobicContact CD2-CD1 4.32Å; L519-L522 WeakPolarHBondContact O-CB 3.22Å; L519-L522 PolarHBondContact O-N 3.08Å; Q520-L522 VanDerWaalsContact C-N 3.34Å; Q520-L522 PolarHBondContact O-N 3.26Å; L522-Q525 PolarHBondContact O-N 3.22Å; L522-S526 VanDerWaalsContact O-CB 3.32Å; L522-S526 WeakPolarHBondContact O-CB 3.37Å; L522-S526 PolarHBondContact O-N 3.35Å; L522-R538 HydrophobicContact CD2-CB 3.9Å; L522-Y542 HydrophobicContact CD1-CD1 4.43Å; L522-Y542 HydrophobicContact CD1-CD2 4.09Å; L522-Y542 HydrophobicContact CD1-CG 3.85Å |
| 523 | V | 90.2 | Very high | 87.7 | Confident | 27 Ų | 27 | 59.3 Ų | 59.3 | 16% | 0.164 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.1 | -41.8 | 177.3 | 173.1 | 0 | 0 | 0 | 0 | 112 | L519 Q520 Q525 S526 Y557 | L519-V523 WeakPolarHBondContact O-CG2 3.42Å; L519-V523 PolarHBondContact O-N 3.17Å; Q520-V523 PolarHBondContact O-N 3.4Å; V523-Q525 VanDerWaalsContact C-N 3.28Å; V523-Q525 PolarHBondContact O-N 2.86Å; V523-S526 PolarHBondContact O-OG 2.97Å; V523-Y557 HydrophobicContact CG2-CD1 3.87Å; V523-Y557 HydrophobicContact CG2-CE1 4.2Å |
| 524 | D | 89 | Confident | 87.6 | Confident | 87 Ų | 87 | 63.6 Ų | 63.6 | 47% | 0.465 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.2 | -31.1 | 179.3 | -73.8 | -16.4 | 0 | 0 | 0 | 112.2 | Q520 V521 K528 | Q520-D524 WeakPolarHBondContact O-CB 3.33Å; Q520-D524 VanDerWaalsContact O-CG 3.29Å; Q520-D524 PolarHBondContact O-N 3.12Å; V521-D524 PolarHBondContact O-N 3.04Å; D524-K528 WeakPolarHBondContact O-CE 3.32Å |
| 525 | Q | 89.2 | Confident | 87.4 | Confident | 10 Ų | 10 | 62.3 Ų | 62.3 | 5% | 0.047 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -87.7 | -28 | -179.6 | -65.8 | -64.3 | -30.9 | 0 | 0 | 112.8 | Y502 V521 L522 V523 K527 K528 S531 L533 | Y502-Q525 HydrophobicContact CD2-CG 4.49Å; Y502-Q525 HydrophobicContact CG-CG 4.25Å; V521-Q525 HydrophobicContact CG1-CG 4.08Å; V521-Q525 VanDerWaalsContact O-CB 3.25Å; V521-Q525 WeakPolarHBondContact O-CB 3.49Å; V521-Q525 WeakPolarHBondContact O-CG 3.43Å; V521-Q525 PolarHBondContact O-N 3.45Å; L522-Q525 PolarHBondContact O-N 3.22Å; V523-Q525 VanDerWaalsContact C-N 3.28Å; V523-Q525 PolarHBondContact O-N 2.86Å; Q525-K527 PolarHBondContact O-N 3.48Å; Q525-K528 VanDerWaalsContact NE2-NZ 3.2Å; Q525-K528 PolarHBondContact O-N 3Å; Q525-S531 PolarHBondContact OE1-OG 2.78Å; Q525-L533 HydrophobicContact CB-CB 4.01Å; Q525-L533 HydrophobicContact CB-CD1 4.3Å; Q525-L533 HydrophobicContact CG-CD1 4.4Å |
| 526 | S | 87.2 | Confident | 87.3 | Confident | 13 Ų | 13 | 61.6 Ų | 61.6 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.7 | -31.4 | -179.7 | 69.5 | 0 | 0 | 0 | 0 | 112.8 | L522 V523 G535 | L522-S526 VanDerWaalsContact O-CB 3.32Å; L522-S526 WeakPolarHBondContact O-CB 3.37Å; L522-S526 PolarHBondContact O-N 3.35Å; V523-S526 PolarHBondContact O-OG 2.97Å; S526-G535 VanDerWaalsContact CB-O 3.27Å; S526-G535 WeakPolarHBondContact CB-O 3.46Å; S526-G535 PolarHBondContact O-N 3.46Å |
| 527 | K | 85.3 | Confident | 87.2 | Confident | 176 Ų | 176 | 62.2 Ų | 62.2 | 77% | 0.765 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -10.8 | 178.7 | -62.3 | 178 | -176.8 | 173.5 | 0 | 114.2 | Q525 | Q525-K527 PolarHBondContact O-N 3.48Š|
| 528 | K | 86.2 | Confident | 87.1 | Confident | 101 Ų | 101 | 64.6 Ų | 64.6 | 44% | 0.439 | 33% | 0.333 | S | S | . | . | trans | -93.2 | 122.9 | -175.1 | -68.3 | 178.3 | -172.6 | 171.8 | 0 | 111.2 | D524 Q525 N530 S531 | D524-K528 WeakPolarHBondContact O-CE 3.32Å; Q525-K528 VanDerWaalsContact NE2-NZ 3.2Å; Q525-K528 PolarHBondContact O-N 3Å; K528-N530 VanDerWaalsContact C-N 3.31Å; K528-N530 PolarHBondContact O-N 2.98Å; K528-S531 PolarHBondContact O-N 3.24Å | ||
| 529 | A | 75.4 | Confident | 87.1 | Confident | 74 Ų | 74 | 64.7 Ų | 64.7 | 61% | 0.612 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -33.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 530 | N | 79.1 | Confident | 87.1 | Confident | 167 Ų | 167 | 65.1 Ų | 65.1 | 89% | 0.893 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 11.4 | -176.2 | -63.7 | -14.4 | 0 | 0 | 0 | 113.4 | K528 | K528-N530 VanDerWaalsContact C-N 3.31Å; K528-N530 PolarHBondContact O-N 2.98Å |
| 531 | S | 83.6 | Confident | 87.1 | Confident | 14 Ų | 14 | 64 Ų | 64 | 10% | 0.098 | 33% | 0.331 | C | S | . | . | trans | -85.7 | 138.2 | -179.6 | -168.2 | 0 | 0 | 0 | 0 | 111.1 | Q525 K528 L533 K534 | Q525-S531 PolarHBondContact OE1-OG 2.78Å; K528-S531 PolarHBondContact O-N 3.24Å; S531-L533 PolarHBondContact O-N 3.02Å; S531-L533 VanDerWaalsContact O-N 3.1Å; S531-L533 PolarHBondContact OG-N 2.88Å; S531-K534 WeakPolarHBondContact O-CB 3.39Å; S531-K534 PolarHBondContact O-N 3.26Å | ||
| 532 | P | 77.9 | Confident | 87.1 | Confident | 105 Ų | 105 | 64.2 Ų | 64.2 | 68% | 0.682 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -8.5 | 171.2 | 29.4 | -35.6 | 0 | 0 | 0 | 113 | ||
| 533 | L | 83.9 | Confident | 87.2 | Confident | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 22.3 | 179.7 | -58.7 | 169.4 | 0 | 0 | 0 | 111.9 | I506 Q525 S531 R538 | I506-L533 HydrophobicContact CD1-CD1 3.46Å; I506-L533 VanDerWaalsContact CD1-CD1 3.46Å; I506-L533 HydrophobicContact CD1-CD2 4.25Å; I506-L533 HydrophobicContact CD1-CG 4.48Å; Q525-L533 HydrophobicContact CB-CB 4.01Å; Q525-L533 HydrophobicContact CB-CD1 4.3Å; Q525-L533 HydrophobicContact CG-CD1 4.4Å; S531-L533 PolarHBondContact O-N 3.02Å; S531-L533 VanDerWaalsContact O-N 3.1Å; S531-L533 PolarHBondContact OG-N 2.88Å; L533-R538 HydrophobicContact CD2-CG 4.28Å |
| 534 | K | 85.1 | Confident | 87.4 | Confident | 136 Ų | 136 | 63.3 Ų | 63.3 | 59% | 0.591 | 32% | 0.324 | S | S | * | . | trans | -64.6 | 141.5 | 177.1 | -175 | -173.8 | 177.6 | -171.6 | 0 | 110.6 | S531 | S531-K534 WeakPolarHBondContact O-CB 3.39Å; S531-K534 PolarHBondContact O-N 3.26Å | ||
| 535 | G | 87.9 | Confident | 87.4 | Confident | 27 Ų | 27 | 66.2 Ų | 66.2 | 28% | 0.278 | 33% | 0.328 | S | S | . | . | S | Bend | trans | 95.2 | -179.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | S526 | S526-G535 VanDerWaalsContact CB-O 3.27Å; S526-G535 WeakPolarHBondContact CB-O 3.46Å; S526-G535 PolarHBondContact O-N 3.46Å |
| 536 | H | 89.3 | Confident | 87.3 | Confident | 20 Ų | 20 | 66 Ų | 66 | 9% | 0.093 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -93.8 | -19.1 | -175.5 | 58.2 | -65.4 | 0 | 0 | 0 | 114.2 | R538 T539 V540 W560 V561 F565 D568 | H536-R538 VanDerWaalsContact C-N 3.34Å; H536-R538 PolarHBondContact O-N 3.41Å; H536-T539 WeakPolarHBondContact O-CB 3.14Å; H536-T539 PolarHBondContact O-N 3.26Å; H536-V540 PolarHBondContact O-N 2.76Å; H536-W560 HydrophobicContact CB-CH2 3.65Å; H536-W560 HydrophobicContact CB-CZ3 3.98Å; H536-V561 HydrophobicContact CB-CG1 4.12Å; H536-V561 HydrophobicContact CB-CG2 4.37Å; H536-F565 HydrophobicContact CB-CD2 4.06Å; H536-F565 HydrophobicContact CB-CE2 4.37Å; H536-F565 AromaticContact CD2-CG 3.89Å; H536-F565 AromaticContact CE1-CD1 3.66Å; H536-F565 AromaticContact CE1-CE1 3.93Å; H536-F565 AromaticContact CE1-CG 3.78Å; H536-F565 AromaticContact CG-CD2 3.7Å; H536-F565 AromaticContact CG-CG 3.92Å; H536-F565 AromaticContact ND1-CD2 3.77Å; H536-F565 AromaticContact ND1-CE2 3.82Å; H536-F565 AromaticContact ND1-CG 3.89Å; H536-F565 AromaticContact ND1-CZ 3.97Å; H536-F565 AromaticContact NE2-CD1 3.97Å; H536-F565 AromaticContact NE2-CG 3.79Å; H536-D568 IonicContact CD2-OD2 3.05Å; H536-D568 IonicContact CE1-OD2 3.94Å; H536-D568 IonicContact NE2-OD2 3.63Å; H536-D568 PolarHBondContact NE2-OD2 3.34Å |
| 537 | E | 90.7 | Very high | 87.3 | Confident | 133 Ų | 133 | 66.5 Ų | 66.5 | 62% | 0.621 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -52.9 | -45.7 | -174.5 | -62.7 | 175.4 | -177.6 | 0 | 0 | 113.6 | T539 V540 Q541 | E537-T539 VanDerWaalsContact C-N 3.34Å; E537-T539 PolarHBondContact O-N 3.18Å; E537-V540 PolarHBondContact O-N 3.2Å; E537-Q541 WeakPolarHBondContact O-CG 3.25Å; E537-Q541 PolarHBondContact O-N 3.31Å |
| 538 | R | 89.8 | Confident | 87.4 | Confident | 140 Ų | 140 | 61.3 Ų | 61.3 | 53% | 0.528 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.4 | -32.1 | 179.7 | -72.2 | -63.9 | -173.1 | 137.1 | -1.3 | 112.8 | L522 L533 H536 Y542 | L522-R538 HydrophobicContact CD2-CB 3.9Å; L533-R538 HydrophobicContact CD2-CG 4.28Å; H536-R538 VanDerWaalsContact C-N 3.34Å; H536-R538 PolarHBondContact O-N 3.41Å; R538-Y542 WeakPolarHBondContact O-CB 3.37Å; R538-Y542 PolarHBondContact O-N 3.06Å |
| 539 | T | 92.1 | Very high | 87.5 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.2 | -44.5 | 173.9 | -57.6 | 0 | 0 | 0 | 0 | 110.3 | H536 E537 Y542 L543 W560 V561 | H536-T539 WeakPolarHBondContact O-CB 3.14Å; H536-T539 PolarHBondContact O-N 3.26Å; E537-T539 VanDerWaalsContact C-N 3.34Å; E537-T539 PolarHBondContact O-N 3.18Å; T539-Y542 PolarHBondContact O-N 2.95Å; T539-L543 HydrophobicContact CG2-CD1 3.93Å; T539-L543 HydrophobicContact CG2-CG 4.23Å; T539-L543 WeakPolarHBondContact O-CB 3.38Å; T539-L543 VanDerWaalsContact O-CG 3.25Å; T539-L543 WeakPolarHBondContact O-CG 3.45Å; T539-L543 PolarHBondContact O-N 3.06Å; T539-W560 HydrophobicContact CG2-CZ2 3.94Å; T539-V561 HydrophobicContact CG2-CG2 4.29Å |
| 540 | V | 92.6 | Very high | 88.2 | Confident | 10 Ų | 10 | 62.7 Ų | 62.7 | 6% | 0.061 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.1 | -52.9 | 175 | 174 | 0 | 0 | 0 | 0 | 110.6 | H536 E537 Y542 L543 Q544 V561 I572 | H536-V540 PolarHBondContact O-N 2.76Å; E537-V540 PolarHBondContact O-N 3.2Å; V540-Y542 VanDerWaalsContact C-N 3.27Å; V540-Y542 PolarHBondContact O-N 3.12Å; V540-L543 PolarHBondContact O-N 3.32Å; V540-L543 VanDerWaalsContact O-N 3.15Å; V540-Q544 HydrophobicContact CG1-CG 4.25Å; V540-Q544 WeakPolarHBondContact O-CB 3.37Å; V540-Q544 VanDerWaalsContact O-CG 3.29Å; V540-Q544 WeakPolarHBondContact O-CG 3.47Å; V540-Q544 PolarHBondContact O-N 3.03Å; V540-V561 HydrophobicContact CG2-CG1 3.82Å; V540-I572 HydrophobicContact CB-CG1 4.32Å; V540-I572 HydrophobicContact CG1-CG1 3.94Å; V540-I572 HydrophobicContact CG2-CD1 4.29Å; V540-I572 HydrophobicContact CG2-CG1 4.13Å |
| 541 | Q | 91.8 | Very high | 88.8 | Confident | 79 Ų | 79 | 55.3 Ų | 55.3 | 37% | 0.369 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.3 | -36.1 | 178.7 | -71.6 | 174.3 | 5.2 | 0 | 0 | 113.3 | E537 R545 | E537-Q541 WeakPolarHBondContact O-CG 3.25Å; E537-Q541 PolarHBondContact O-N 3.31Å; Q541-R545 WeakPolarHBondContact O-CG 3.33Å |
| 542 | Y | 92.4 | Very high | 89.2 | Confident | 18 Ų | 18 | 60.6 Ų | 60.6 | 7% | 0.071 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71.2 | -43.6 | 177.4 | -164.2 | -83.2 | 0 | 0 | 0 | 111 | I506 E510 H515 A518 L519 L522 R538 T539 V540 R545 L546 | I506-Y542 HydrophobicContact CG2-CD2 3.89Å; I506-Y542 HydrophobicContact CG2-CE2 3.62Å; E510-Y542 WeakPolarHBondContact CA-OH 3.4Å; E510-Y542 HydrophobicContact CB-CE2 4Å; E510-Y542 WeakPolarHBondContact CB-OH 3.4Å; E510-Y542 HydrophobicContact CG-CE2 4.07Å; H515-Y542 HydrophobicContact CB-CE1 4.49Å; H515-Y542 AromaticContact ND1-CZ 3.9Å; H515-Y542 PolarHBondContact ND1-OH 3.36Å; A518-Y542 HydrophobicContact CB-CE1 4.17Å; A518-Y542 HydrophobicContact CB-CE2 4.12Å; A518-Y542 VanDerWaalsContact CB-OH 3.31Å; A518-Y542 WeakPolarHBondContact CB-OH 3.47Å; L519-Y542 HydrophobicContact CD2-CD1 3.66Å; L519-Y542 HydrophobicContact CD2-CE1 4.23Å; L519-Y542 HydrophobicContact CD2-CG 4.44Å; L519-Y542 HydrophobicContact CG-CD1 4.1Å; L519-Y542 HydrophobicContact CG-CE1 4.15Å; L522-Y542 HydrophobicContact CD1-CD1 4.43Å; L522-Y542 HydrophobicContact CD1-CD2 4.09Å; L522-Y542 HydrophobicContact CD1-CG 3.85Å; R538-Y542 WeakPolarHBondContact O-CB 3.37Å; R538-Y542 PolarHBondContact O-N 3.06Å; T539-Y542 PolarHBondContact O-N 2.95Å; V540-Y542 VanDerWaalsContact C-N 3.27Å; V540-Y542 PolarHBondContact O-N 3.12Å; Y542-R545 PolarHBondContact O-N 2.93Å; Y542-L546 HydrophobicContact CD1-CD1 4.07Å; Y542-L546 HydrophobicContact CD1-CG 4.25Å; Y542-L546 HydrophobicContact CE1-CD1 4.18Å; Y542-L546 HydrophobicContact CE1-CD2 4.09Å; Y542-L546 HydrophobicContact CE1-CG 4.25Å; Y542-L546 WeakPolarHBondContact O-CG 3.25Å; Y542-L546 PolarHBondContact O-N 2.86Å |
| 543 | L | 93.1 | Very high | 90 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 178.5 | -70.3 | 179.3 | 0 | 0 | 0 | 112.5 | L519 T539 V540 R545 L546 I554 I572 | L519-L543 HydrophobicContact CD1-CD2 3.99Å; L519-L543 HydrophobicContact CD2-CD2 3.64Å; L519-L543 HydrophobicContact CD2-CG 4.16Å; L519-L543 HydrophobicContact CG-CD2 4.49Å; T539-L543 HydrophobicContact CG2-CD1 3.93Å; T539-L543 HydrophobicContact CG2-CG 4.23Å; T539-L543 WeakPolarHBondContact O-CB 3.38Å; T539-L543 VanDerWaalsContact O-CG 3.25Å; T539-L543 WeakPolarHBondContact O-CG 3.45Å; T539-L543 PolarHBondContact O-N 3.06Å; V540-L543 PolarHBondContact O-N 3.32Å; V540-L543 VanDerWaalsContact O-N 3.15Å; L543-R545 PolarHBondContact O-N 3.44Å; L543-L546 HydrophobicContact CD2-CD1 3.65Å; L543-L546 WeakPolarHBondContact O-CB 3.07Å; L543-L546 PolarHBondContact O-N 2.88Å; L543-L546 VanDerWaalsContact O-N 3.09Å; L543-I554 HydrophobicContact CD2-CG1 4.49Å; L543-I572 HydrophobicContact CB-CG2 3.87Å; L543-I572 HydrophobicContact CD1-CD1 3.78Å; L543-I572 HydrophobicContact CD1-CG1 4.49Å; L543-I572 HydrophobicContact CD1-CG2 4.47Å |
| 544 | Q | 93 | Very high | 90.4 | Very high | 12 Ų | 12 | 55.7 Ų | 55.7 | 6% | 0.056 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -30.5 | 175.7 | -74.7 | 170.9 | -28.8 | 0 | 0 | 112.9 | V540 K571 E575 L577 E579 V580 | V540-Q544 HydrophobicContact CG1-CG 4.25Å; V540-Q544 WeakPolarHBondContact O-CB 3.37Å; V540-Q544 VanDerWaalsContact O-CG 3.29Å; V540-Q544 WeakPolarHBondContact O-CG 3.47Å; V540-Q544 PolarHBondContact O-N 3.03Å; Q544-K571 PolarHBondContact NE2-O 3.21Å; Q544-E575 HydrophobicContact CG-CB 4.42Å; Q544-E575 VanDerWaalsContact NE2-CB 3.31Å; Q544-E575 PolarHBondContact NE2-OE2 2.92Å; Q544-E575 VanDerWaalsContact NE2-OE2 3.1Å; Q544-L577 HydrophobicContact CB-CD1 3.86Å; Q544-E579 WeakPolarHBondContact O-CB 3.42Å; Q544-V580 HydrophobicContact CB-CG2 3.9Å; Q544-V580 HydrophobicContact CG-CG2 4.15Å; Q544-V580 VanDerWaalsContact O-CG2 3.28Å; Q544-V580 WeakPolarHBondContact O-CG2 3.25Å |
| 545 | R | 90.9 | Very high | 90.9 | Very high | 148 Ų | 148 | 51 Ų | 51 | 56% | 0.558 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -10.6 | 177.2 | -66 | 174.2 | -171.4 | -177.7 | 2.2 | 113.2 | Q541 Y542 L543 G547 | Q541-R545 WeakPolarHBondContact O-CG 3.33Å; Y542-R545 PolarHBondContact O-N 2.93Å; L543-R545 PolarHBondContact O-N 3.44Å; R545-G547 PolarHBondContact O-N 3.15Å |
| 546 | L | 87.2 | Confident | 91.1 | Very high | 6 Ų | 6 | 52.9 Ų | 52.9 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | trans | -76.7 | 115.3 | 173.3 | -69.6 | 169.3 | 0 | 0 | 0 | 107.7 | H515 L519 Y542 L543 N550 I554 | H515-L546 HydrophobicContact CB-CD2 3.97Å; L519-L546 HydrophobicContact CD1-CD1 3.96Å; Y542-L546 HydrophobicContact CD1-CD1 4.07Å; Y542-L546 HydrophobicContact CD1-CG 4.25Å; Y542-L546 HydrophobicContact CE1-CD1 4.18Å; Y542-L546 HydrophobicContact CE1-CD2 4.09Å; Y542-L546 HydrophobicContact CE1-CG 4.25Å; Y542-L546 WeakPolarHBondContact O-CG 3.25Å; Y542-L546 PolarHBondContact O-N 2.86Å; L543-L546 HydrophobicContact CD2-CD1 3.65Å; L543-L546 WeakPolarHBondContact O-CB 3.07Å; L543-L546 PolarHBondContact O-N 2.88Å; L543-L546 VanDerWaalsContact O-N 3.09Å; L546-N550 HydrophobicContact CB-CB 4.32Å; L546-N550 HydrophobicContact CD2-CB 4.09Å; L546-I554 HydrophobicContact CB-CD1 3.85Å; L546-I554 HydrophobicContact CB-CG1 3.85Å; L546-I554 HydrophobicContact CD1-CG1 4.2Å; L546-I554 VanDerWaalsContact O-CD1 3.26Å; L546-I554 WeakPolarHBondContact O-CD1 3.23Å | ||
| 547 | G | 86.8 | Confident | 91.3 | Very high | 22 Ų | 22 | 53.8 Ų | 53.8 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | trans | -73 | -175.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R545 E549 N550 | R545-G547 PolarHBondContact O-N 3.15Å; G547-E549 PolarHBondContact O-N 2.9Å; G547-E549 VanDerWaalsContact O-N 3.1Å; G547-N550 PolarHBondContact O-N 2.86Å; G547-N550 VanDerWaalsContact O-N 3.11Å | ||
| 548 | T | 87.8 | Confident | 91.4 | Very high | 67 Ų | 67 | 47.4 Ų | 47.4 | 41% | 0.411 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -53.3 | -31.4 | -177.7 | 53.9 | 0 | 0 | 0 | 0 | 115 | N550 L551 S582 L583 | T548-N550 PolarHBondContact O-N 3.3Å; T548-L551 WeakPolarHBondContact O-CB 3.5Å; T548-L551 PolarHBondContact O-N 3.33Å; T548-S582 WeakPolarHBondContact CG2-O 3.41Å; T548-L583 HydrophobicContact CG2-CD2 4.31Å |
| 549 | E | 87.4 | Confident | 91.6 | Very high | 172 Ų | 172 | 43.5 Ų | 43.5 | 80% | 0.804 | 22% | 0.218 | S | C | * | . | G | 310 helix | trans | -58.9 | -32.5 | -180 | -60.4 | -172.4 | 165.7 | 0 | 0 | 112.6 | G547 | G547-E549 PolarHBondContact O-N 2.9Å; G547-E549 VanDerWaalsContact O-N 3.1Å |
| 550 | N | 90.9 | Very high | 91.7 | Very high | 32 Ų | 32 | 45.7 Ų | 45.7 | 17% | 0.171 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -105.9 | 21.7 | -175.6 | -67.6 | -65.8 | 0 | 0 | 0 | 113 | H515 L546 G547 T548 H552 L553 I554 | H515-N550 PolarHBondContact CD2-ND2 3.28Å; L546-N550 HydrophobicContact CB-CB 4.32Å; L546-N550 HydrophobicContact CD2-CB 4.09Å; G547-N550 PolarHBondContact O-N 2.86Å; G547-N550 VanDerWaalsContact O-N 3.11Å; T548-N550 PolarHBondContact O-N 3.3Å; N550-H552 PolarHBondContact O-N 2.91Å; N550-L553 HydrophobicContact CB-CD1 4.37Å; N550-L553 WeakPolarHBondContact O-CB 3.46Å; N550-L553 PolarHBondContact O-N 3.41Å; N550-I554 PolarHBondContact O-N 3.41Å; N550-I554 VanDerWaalsContact O-N 3.16Å |
| 551 | L | 91 | Very high | 91.7 | Very high | 13 Ų | 13 | 45.2 Ų | 45.2 | 7% | 0.068 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -51 | -37.6 | -176.6 | -173.7 | 71.8 | 0 | 0 | 0 | 113.7 | T548 L553 I554 F555 L583 P584 R587 | T548-L551 WeakPolarHBondContact O-CB 3.5Å; T548-L551 PolarHBondContact O-N 3.33Å; L551-L553 VanDerWaalsContact C-N 3.33Å; L551-L553 PolarHBondContact O-N 2.84Å; L551-I554 WeakPolarHBondContact O-CB 3.39Å; L551-I554 PolarHBondContact O-N 3.38Å; L551-F555 HydrophobicContact CD1-CE1 3.94Å; L551-F555 HydrophobicContact CD1-CE2 4.19Å; L551-F555 HydrophobicContact CD1-CZ 3.71Å; L551-F555 HydrophobicContact CD2-CE2 3.88Å; L551-F555 HydrophobicContact CD2-CZ 4.03Å; L551-F555 HydrophobicContact CG-CD2 4.26Å; L551-F555 HydrophobicContact CG-CE1 4.37Å; L551-F555 HydrophobicContact CG-CE2 3.77Å; L551-F555 HydrophobicContact CG-CZ 3.82Å; L551-F555 PolarHBondContact O-N 3.4Å; L551-L583 HydrophobicContact CD1-CD2 4.08Å; L551-P584 HydrophobicContact CD1-CG 4.36Å; L551-P584 HydrophobicContact CD2-CG 3.66Å; L551-R587 HydrophobicContact CD2-CB 4.31Å |
| 552 | H | 92.6 | Very high | 91.8 | Very high | 124 Ų | 124 | 41.6 Ų | 41.6 | 57% | 0.574 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -63.3 | -36.9 | 178.2 | 73.4 | -77 | 0 | 0 | 0 | 112.9 | N550 S556 | N550-H552 PolarHBondContact O-N 2.91Å; H552-S556 PolarHBondContact O-N 3.41Å; H552-S556 PolarHBondContact O-OG 3.32Å |
| 553 | L | 93.1 | Very high | 91.8 | Very high | 9 Ų | 9 | 48.3 Ų | 48.3 | 5% | 0.047 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71 | -37.1 | 174.1 | -64 | 177.7 | 0 | 0 | 0 | 110.8 | H515 E516 L519 N550 L551 S556 Y557 | H515-L553 HydrophobicContact CB-CD1 3.74Å; E516-L553 HydrophobicContact CB-CD1 4.45Å; E516-L553 HydrophobicContact CB-CD2 4.13Å; E516-L553 HydrophobicContact CG-CD2 4.29Å; L519-L553 HydrophobicContact CD1-CB 4.01Å; N550-L553 HydrophobicContact CB-CD1 4.37Å; N550-L553 WeakPolarHBondContact O-CB 3.46Å; N550-L553 PolarHBondContact O-N 3.41Å; L551-L553 VanDerWaalsContact C-N 3.33Å; L551-L553 PolarHBondContact O-N 2.84Å; L553-S556 WeakPolarHBondContact CA-OG 3.23Å; L553-S556 PolarHBondContact O-N 3.03Å; L553-S556 PolarHBondContact O-OG 3.28Å; L553-Y557 HydrophobicContact CB-CD2 4.45Å; L553-Y557 HydrophobicContact CD2-CD2 4.39Å; L553-Y557 HydrophobicContact CD2-CE2 4.04Å; L553-Y557 WeakPolarHBondContact O-CB 3.46Å; L553-Y557 WeakPolarHBondContact O-CD2 3.35Å; L553-Y557 PolarHBondContact O-N 2.88Å |
| 554 | I | 93.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.2 | -48.5 | 175.8 | -57.1 | 173.3 | 0 | 0 | 0 | 109.8 | L543 L546 N550 L551 S558 I572 F573 L583 | L543-I554 HydrophobicContact CD2-CG1 4.49Å; L546-I554 HydrophobicContact CB-CD1 3.85Å; L546-I554 HydrophobicContact CB-CG1 3.85Å; L546-I554 HydrophobicContact CD1-CG1 4.2Å; L546-I554 VanDerWaalsContact O-CD1 3.26Å; L546-I554 WeakPolarHBondContact O-CD1 3.23Å; N550-I554 PolarHBondContact O-N 3.41Å; N550-I554 VanDerWaalsContact O-N 3.16Å; L551-I554 WeakPolarHBondContact O-CB 3.39Å; L551-I554 PolarHBondContact O-N 3.38Å; I554-S558 WeakPolarHBondContact O-CB 3.49Å; I554-S558 PolarHBondContact O-N 3.09Å; I554-S558 PolarHBondContact O-OG 3.15Å; I554-I572 HydrophobicContact CG2-CG2 3.83Å; I554-F573 HydrophobicContact CG2-CE1 3.75Å; I554-F573 HydrophobicContact CG2-CZ 4.24Å; I554-L583 HydrophobicContact CD1-CD1 4.48Å; I554-L583 HydrophobicContact CD1-CD2 3.9Å |
| 555 | F | 94.2 | Very high | 91.7 | Very high | 38 Ų | 38 | 55.8 Ų | 55.8 | 17% | 0.167 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 177.7 | -67.1 | -21 | 0 | 0 | 0 | 112.9 | L551 S558 V559 F573 R587 V588 F591 | L551-F555 HydrophobicContact CD1-CE1 3.94Å; L551-F555 HydrophobicContact CD1-CE2 4.19Å; L551-F555 HydrophobicContact CD1-CZ 3.71Å; L551-F555 HydrophobicContact CD2-CE2 3.88Å; L551-F555 HydrophobicContact CD2-CZ 4.03Å; L551-F555 HydrophobicContact CG-CD2 4.26Å; L551-F555 HydrophobicContact CG-CE1 4.37Å; L551-F555 HydrophobicContact CG-CE2 3.77Å; L551-F555 HydrophobicContact CG-CZ 3.82Å; L551-F555 PolarHBondContact O-N 3.4Å; F555-S558 PolarHBondContact O-OG 3.13Å; F555-V559 WeakPolarHBondContact O-CG2 3.29Å; F555-F573 HydrophobicContact CD1-CE1 4.3Å; F555-F573 HydrophobicContact CD1-CZ 4.26Å; F555-F573 HydrophobicContact CE1-CE1 4.05Å; F555-F573 HydrophobicContact CE1-CZ 4.32Å; F555-R587 HydrophobicContact CE2-CB 4.5Å; F555-R587 HydrophobicContact CZ-CB 4.28Å; F555-V588 HydrophobicContact CE1-CG2 4.25Å; F555-V588 HydrophobicContact CZ-CG2 4.37Å; F555-F591 HydrophobicContact CB-CD2 4.16Å; F555-F591 HydrophobicContact CB-CE2 3.98Å; F555-F591 HydrophobicContact CB-CZ 4.35Å; F555-F591 HydrophobicContact CD1-CB 4.27Å; F555-F591 AromaticContact CD1-CD1 3.79Å; F555-F591 HydrophobicContact CD1-CD1 3.79Å; F555-F591 HydrophobicContact CD1-CD2 4.13Å; F555-F591 HydrophobicContact CD1-CE1 4.1Å; F555-F591 HydrophobicContact CD1-CE2 4.42Å; F555-F591 AromaticContact CD1-CG 3.79Å; F555-F591 HydrophobicContact CD1-CG 3.79Å; F555-F591 HydrophobicContact CD1-CZ 4.4Å; F555-F591 HydrophobicContact CD2-CD2 4.42Å; F555-F591 HydrophobicContact CE1-CB 3.97Å; F555-F591 AromaticContact CE1-CD1 3.98Å; F555-F591 HydrophobicContact CE1-CD1 3.98Å; F555-F591 AromaticContact CE1-CG 3.96Å; F555-F591 HydrophobicContact CE1-CG 3.96Å; F555-F591 HydrophobicContact CE2-CB 4.3Å; F555-F591 HydrophobicContact CG-CD1 4.49Å; F555-F591 HydrophobicContact CG-CD2 4.01Å; F555-F591 HydrophobicContact CG-CE2 4.28Å; F555-F591 HydrophobicContact CG-CG 4.11Å; F555-F591 HydrophobicContact CZ-CB 3.98Å; F555-F591 HydrophobicContact CZ-CG 4.39Å |
| 556 | S | 93.1 | Very high | 91.7 | Very high | 66 Ų | 66 | 51.3 Ų | 51.3 | 46% | 0.462 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -69.1 | -38.2 | -177.7 | 63.2 | 0 | 0 | 0 | 0 | 113.3 | H552 L553 | H552-S556 PolarHBondContact O-N 3.41Å; H552-S556 PolarHBondContact O-OG 3.32Å; L553-S556 WeakPolarHBondContact CA-OG 3.23Å; L553-S556 PolarHBondContact O-N 3.03Å; L553-S556 PolarHBondContact O-OG 3.28Å |
| 557 | Y | 92.8 | Very high | 91.8 | Very high | 38 Ų | 38 | 57.4 Ų | 57.4 | 15% | 0.149 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -93.7 | -10.8 | -176.7 | -72.9 | -88 | 0 | 0 | 0 | 114.2 | L519 V523 L553 W560 | L519-Y557 HydrophobicContact CB-CD1 3.74Å; L519-Y557 HydrophobicContact CB-CD2 4.08Å; L519-Y557 HydrophobicContact CB-CE1 3.79Å; L519-Y557 HydrophobicContact CB-CE2 4.14Å; L519-Y557 HydrophobicContact CB-CG 3.88Å; L519-Y557 HydrophobicContact CD1-CD2 3.65Å; L519-Y557 HydrophobicContact CD1-CE2 4.17Å; L519-Y557 HydrophobicContact CD1-CG 3.89Å; L519-Y557 HydrophobicContact CG-CD2 4.46Å; L519-Y557 HydrophobicContact CG-CG 4.35Å; V523-Y557 HydrophobicContact CG2-CD1 3.87Å; V523-Y557 HydrophobicContact CG2-CE1 4.2Å; L553-Y557 HydrophobicContact CB-CD2 4.45Å; L553-Y557 HydrophobicContact CD2-CD2 4.39Å; L553-Y557 HydrophobicContact CD2-CE2 4.04Å; L553-Y557 WeakPolarHBondContact O-CB 3.46Å; L553-Y557 WeakPolarHBondContact O-CD2 3.35Å; L553-Y557 PolarHBondContact O-N 2.88Å; Y557-W560 PolarHBondContact O-NE1 3.49Å |
| 558 | S | 93.6 | Very high | 92 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -79.2 | -24.6 | 171.9 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | I554 F555 W560 V561 L562 | I554-S558 WeakPolarHBondContact O-CB 3.49Å; I554-S558 PolarHBondContact O-N 3.09Å; I554-S558 PolarHBondContact O-OG 3.15Å; F555-S558 PolarHBondContact O-OG 3.13Å; S558-W560 VanDerWaalsContact C-N 3.32Å; S558-W560 PolarHBondContact O-N 3.47Å; S558-V561 PolarHBondContact O-N 3.1Å; S558-L562 WeakPolarHBondContact O-CG 3.2Å; S558-L562 PolarHBondContact O-N 2.86Å |
| 559 | V | 94.1 | Very high | 92.2 | Very high | 58 Ų | 58 | 55.7 Ų | 55.7 | 35% | 0.352 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -50.8 | -47.1 | -174.5 | -178.4 | 0 | 0 | 0 | 0 | 113.1 | F555 R563 F591 F596 | F555-V559 WeakPolarHBondContact O-CG2 3.29Å; V559-R563 WeakPolarHBondContact O-CB 3.46Å; V559-R563 PolarHBondContact O-N 3.33Å; V559-F591 HydrophobicContact CG2-CZ 4.28Å; V559-F596 HydrophobicContact CB-CZ 4.48Å; V559-F596 HydrophobicContact CG1-CE2 4.5Å; V559-F596 HydrophobicContact CG1-CZ 3.94Å |
| 560 | W | 93 | Very high | 92.5 | Very high | 46 Ų | 46 | 48.1 Ų | 48.1 | 17% | 0.174 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.1 | -34 | -176.9 | 75.3 | -87.9 | 0 | 0 | 0 | 111.9 | H536 T539 Y557 S558 D564 F565 | H536-W560 HydrophobicContact CB-CH2 3.65Å; H536-W560 HydrophobicContact CB-CZ3 3.98Å; T539-W560 HydrophobicContact CG2-CZ2 3.94Å; Y557-W560 PolarHBondContact O-NE1 3.49Å; S558-W560 VanDerWaalsContact C-N 3.32Å; S558-W560 PolarHBondContact O-N 3.47Å; W560-D564 WeakPolarHBondContact O-CB 3.44Å; W560-D564 VanDerWaalsContact O-CG 3.31Å; W560-D564 PolarHBondContact O-N 3.41Å; W560-D564 VanDerWaalsContact O-N 3.09Å; W560-F565 HydrophobicContact CZ3-CE2 4.49Å |
| 561 | V | 93.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.8 | -46.6 | 175.8 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | H536 T539 V540 S558 R563 D564 F565 I572 | H536-V561 HydrophobicContact CB-CG1 4.12Å; H536-V561 HydrophobicContact CB-CG2 4.37Å; T539-V561 HydrophobicContact CG2-CG2 4.29Å; V540-V561 HydrophobicContact CG2-CG1 3.82Å; S558-V561 PolarHBondContact O-N 3.1Å; V561-R563 VanDerWaalsContact C-N 3.27Å; V561-R563 PolarHBondContact O-N 3.34Å; V561-D564 PolarHBondContact O-N 3.07Å; V561-F565 HydrophobicContact CG1-CB 4.4Å; V561-F565 CarbonylContact O-C 3.57Å; V561-F565 VanDerWaalsContact O-CA 3.25Å; V561-F565 WeakPolarHBondContact O-CA 3.46Å; V561-F565 PolarHBondContact O-N 3.2Å; V561-F565 VanDerWaalsContact O-O 3.05Å; V561-I572 HydrophobicContact CB-CD1 4.37Å; V561-I572 HydrophobicContact CG1-CD1 4.46Å |
| 562 | L | 93.4 | Very high | 92.8 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.4 | -33.3 | 179.4 | -70.6 | 162.7 | 0 | 0 | 0 | 113 | S558 P566 G569 F573 F591 F596 L599 | S558-L562 WeakPolarHBondContact O-CG 3.2Å; S558-L562 PolarHBondContact O-N 2.86Å; L562-P566 WeakPolarHBondContact O-CA 3.37Å; L562-G569 VanDerWaalsContact CD2-C 3.41Å; L562-F573 HydrophobicContact CD1-CE2 4.04Å; L562-F573 HydrophobicContact CD2-CE2 4.35Å; L562-F591 HydrophobicContact CD1-CE1 3.65Å; L562-F591 HydrophobicContact CD1-CZ 4.12Å; L562-F596 HydrophobicContact CB-CD1 4.18Å; L562-F596 HydrophobicContact CB-CD2 4.16Å; L562-F596 HydrophobicContact CB-CE1 3.88Å; L562-F596 HydrophobicContact CB-CE2 3.87Å; L562-F596 HydrophobicContact CB-CG 4.31Å; L562-F596 HydrophobicContact CB-CZ 3.71Å; L562-F596 HydrophobicContact CD1-CD2 3.89Å; L562-F596 HydrophobicContact CD1-CE2 3.7Å; L562-F596 HydrophobicContact CD1-CZ 4.36Å; L562-F596 HydrophobicContact CG-CE2 4.45Å; L562-L599 HydrophobicContact CB-CD1 4.42Å; L562-L599 HydrophobicContact CD2-CD1 3.67Å |
| 563 | R | 92.4 | Very high | 92.9 | Very high | 159 Ų | 159 | 44.4 Ų | 44.4 | 60% | 0.6 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -76.1 | -46.1 | 178 | -173 | -172.9 | 64.9 | -148.3 | -9.1 | 112.4 | V559 V561 F596 | V559-R563 WeakPolarHBondContact O-CB 3.46Å; V559-R563 PolarHBondContact O-N 3.33Å; V561-R563 VanDerWaalsContact C-N 3.27Å; V561-R563 PolarHBondContact O-N 3.34Å; R563-F596 HydrophobicContact CB-CE1 4.11Å |
| 564 | D | 90.5 | Very high | 92.8 | Very high | 81 Ų | 81 | 44.8 Ų | 44.8 | 43% | 0.433 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -90.6 | -26.3 | -170.8 | -57.3 | -11.4 | 0 | 0 | 0 | 111.6 | W560 V561 | W560-D564 WeakPolarHBondContact O-CB 3.44Å; W560-D564 VanDerWaalsContact O-CG 3.31Å; W560-D564 PolarHBondContact O-N 3.41Å; W560-D564 VanDerWaalsContact O-N 3.09Å; V561-D564 PolarHBondContact O-N 3.07Å |
| 565 | F | 92.9 | Very high | 92.8 | Very high | 89 Ų | 89 | 48.3 Ų | 48.3 | 39% | 0.39 | 23% | 0.234 | S | C | . | . | trans | -140.9 | 71.9 | -177.6 | -56.1 | -79.1 | 0 | 0 | 0 | 111.5 | H536 W560 V561 E567 D568 G569 | H536-F565 HydrophobicContact CB-CD2 4.06Å; H536-F565 HydrophobicContact CB-CE2 4.37Å; H536-F565 AromaticContact CD2-CG 3.89Å; H536-F565 AromaticContact CE1-CD1 3.66Å; H536-F565 AromaticContact CE1-CE1 3.93Å; H536-F565 AromaticContact CE1-CG 3.78Å; H536-F565 AromaticContact CG-CD2 3.7Å; H536-F565 AromaticContact CG-CG 3.92Å; H536-F565 AromaticContact ND1-CD2 3.77Å; H536-F565 AromaticContact ND1-CE2 3.82Å; H536-F565 AromaticContact ND1-CG 3.89Å; H536-F565 AromaticContact ND1-CZ 3.97Å; H536-F565 AromaticContact NE2-CD1 3.97Å; H536-F565 AromaticContact NE2-CG 3.79Å; W560-F565 HydrophobicContact CZ3-CE2 4.49Å; V561-F565 HydrophobicContact CG1-CB 4.4Å; V561-F565 CarbonylContact O-C 3.57Å; V561-F565 VanDerWaalsContact O-CA 3.25Å; V561-F565 WeakPolarHBondContact O-CA 3.46Å; V561-F565 PolarHBondContact O-N 3.2Å; V561-F565 VanDerWaalsContact O-O 3.05Å; F565-E567 PolarHBondContact O-N 2.91Å; F565-D568 PolarHBondContact O-N 2.98Å; F565-G569 PolarHBondContact O-N 3.17Å | ||
| 566 | P | 91.8 | Very high | 92.5 | Very high | 55 Ų | 55 | 51.5 Ų | 51.5 | 36% | 0.357 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56.3 | -45.2 | -170.5 | 16.4 | -29.7 | 0 | 0 | 0 | 114.7 | L562 G569 L570 L599 | L562-P566 WeakPolarHBondContact O-CA 3.37Å; P566-G569 PolarHBondContact O-N 3.21Å; P566-L570 WeakPolarHBondContact O-CB 3.24Å; P566-L570 PolarHBondContact O-N 3.44Å; P566-L599 HydrophobicContact CB-CD1 4.24Å; P566-L599 HydrophobicContact CB-CD2 3.87Å |
| 567 | E | 90.1 | Very high | 92.3 | Very high | 133 Ų | 133 | 51 Ų | 51 | 62% | 0.621 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -64.6 | -47.8 | -177.9 | -61.7 | -57.6 | 139 | 0 | 0 | 112.5 | F565 L570 K571 | F565-E567 PolarHBondContact O-N 2.91Å; E567-L570 PolarHBondContact O-N 3.11Å; E567-K571 PolarHBondContact O-N 3.31Å |
| 568 | D | 90.5 | Very high | 92.1 | Very high | 53 Ų | 53 | 53.4 Ų | 53.4 | 28% | 0.283 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -74.5 | -28.9 | 177.9 | -71 | -34.5 | 0 | 0 | 0 | 112.2 | H536 F565 L570 K571 | H536-D568 IonicContact CD2-OD2 3.05Å; H536-D568 IonicContact CE1-OD2 3.94Å; H536-D568 IonicContact NE2-OD2 3.63Å; H536-D568 PolarHBondContact NE2-OD2 3.34Å; F565-D568 PolarHBondContact O-N 2.98Å; D568-L570 VanDerWaalsContact C-N 3.33Å; D568-K571 WeakPolarHBondContact O-CB 3.26Å; D568-K571 PolarHBondContact O-N 2.68Å; D568-K571 IonicContact OD1-NZ 3.27Å; D568-K571 PolarHBondContact OD1-NZ 3.35Å |
| 569 | G | 92.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.2 | -37.4 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | L562 F565 P566 K571 I572 | L562-G569 VanDerWaalsContact CD2-C 3.41Å; F565-G569 PolarHBondContact O-N 3.17Å; P566-G569 PolarHBondContact O-N 3.21Å; G569-K571 VanDerWaalsContact C-N 3.28Å; G569-K571 PolarHBondContact O-N 3.16Å; G569-I572 VanDerWaalsContact O-CB 3.23Å; G569-I572 WeakPolarHBondContact O-CB 3.48Å; G569-I572 WeakPolarHBondContact O-CD1 3.38Å; G569-I572 VanDerWaalsContact O-CG1 3.23Å; G569-I572 WeakPolarHBondContact O-CG1 3.4Å; G569-I572 PolarHBondContact O-N 3.19Å; G569-I572 VanDerWaalsContact O-N 3.13Å |
| 570 | L | 93.7 | Very high | 91.8 | Very high | 13 Ų | 13 | 54.3 Ų | 54.3 | 7% | 0.068 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.4 | -34.3 | 177.6 | -175.7 | 61.9 | 0 | 0 | 0 | 112 | P566 E567 D568 I572 F573 T574 L592 P602 Y603 | P566-L570 WeakPolarHBondContact O-CB 3.24Å; P566-L570 PolarHBondContact O-N 3.44Å; E567-L570 PolarHBondContact O-N 3.11Å; D568-L570 VanDerWaalsContact C-N 3.33Å; L570-I572 PolarHBondContact O-N 3.5Å; L570-F573 PolarHBondContact O-N 2.82Å; L570-T574 HydrophobicContact CD1-CG2 4.01Å; L570-T574 HydrophobicContact CG-CG2 3.88Å; L570-T574 PolarHBondContact O-N 3.1Å; L570-T574 PolarHBondContact O-OG1 3.27Å; L570-L592 HydrophobicContact CD1-CD1 4.43Å; L570-P602 HydrophobicContact CD2-CB 3.61Å; L570-Y603 HydrophobicContact CD1-CD2 4.26Å |
| 571 | K | 92.9 | Very high | 91.5 | Very high | 89 Ų | 89 | 56.2 Ų | 56.2 | 39% | 0.387 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.1 | -18.4 | 174.3 | -63.4 | 175.9 | -174.9 | 160.2 | 0 | 113.7 | Q544 E567 D568 G569 F573 T574 E575 | Q544-K571 PolarHBondContact NE2-O 3.21Å; E567-K571 PolarHBondContact O-N 3.31Å; D568-K571 WeakPolarHBondContact O-CB 3.26Å; D568-K571 PolarHBondContact O-N 2.68Å; D568-K571 IonicContact OD1-NZ 3.27Å; D568-K571 PolarHBondContact OD1-NZ 3.35Å; G569-K571 VanDerWaalsContact C-N 3.28Å; G569-K571 PolarHBondContact O-N 3.16Å; K571-F573 PolarHBondContact O-N 3.28Å; K571-T574 WeakPolarHBondContact CA-OG1 3.47Å; K571-E575 WeakPolarHBondContact O-CB 3.49Å; K571-E575 PolarHBondContact O-N 2.85Å |
| 572 | I | 94.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.2 | -28.8 | 171.3 | -60.6 | 167.5 | 0 | 0 | 0 | 110.9 | V540 L543 I554 V561 G569 L570 V580 | V540-I572 HydrophobicContact CB-CG1 4.32Å; V540-I572 HydrophobicContact CG1-CG1 3.94Å; V540-I572 HydrophobicContact CG2-CD1 4.29Å; V540-I572 HydrophobicContact CG2-CG1 4.13Å; L543-I572 HydrophobicContact CB-CG2 3.87Å; L543-I572 HydrophobicContact CD1-CD1 3.78Å; L543-I572 HydrophobicContact CD1-CG1 4.49Å; L543-I572 HydrophobicContact CD1-CG2 4.47Å; I554-I572 HydrophobicContact CG2-CG2 3.83Å; V561-I572 HydrophobicContact CB-CD1 4.37Å; V561-I572 HydrophobicContact CG1-CD1 4.46Å; G569-I572 VanDerWaalsContact O-CB 3.23Å; G569-I572 WeakPolarHBondContact O-CB 3.48Å; G569-I572 WeakPolarHBondContact O-CD1 3.38Å; G569-I572 VanDerWaalsContact O-CG1 3.23Å; G569-I572 WeakPolarHBondContact O-CG1 3.4Å; G569-I572 PolarHBondContact O-N 3.19Å; G569-I572 VanDerWaalsContact O-N 3.13Å; L570-I572 PolarHBondContact O-N 3.5Å; I572-V580 WeakPolarHBondContact O-CG1 3.28Å |
| 573 | F | 94.1 | Very high | 91.2 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.009 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -114.7 | -5.6 | -175.6 | -52.7 | -65.6 | 0 | 0 | 0 | 114.7 | I554 F555 L562 L570 K571 V580 L583 V588 F591 L592 Y603 W611 | I554-F573 HydrophobicContact CG2-CE1 3.75Å; I554-F573 HydrophobicContact CG2-CZ 4.24Å; F555-F573 HydrophobicContact CD1-CE1 4.3Å; F555-F573 HydrophobicContact CD1-CZ 4.26Å; F555-F573 HydrophobicContact CE1-CE1 4.05Å; F555-F573 HydrophobicContact CE1-CZ 4.32Å; L562-F573 HydrophobicContact CD1-CE2 4.04Å; L562-F573 HydrophobicContact CD2-CE2 4.35Å; L570-F573 PolarHBondContact O-N 2.82Å; K571-F573 PolarHBondContact O-N 3.28Å; F573-V580 VanDerWaalsContact C-CG1 3.43Å; F573-L583 HydrophobicContact CD1-CD1 4.12Å; F573-V588 HydrophobicContact CB-CG1 3.89Å; F573-V588 HydrophobicContact CD1-CB 4.48Å; F573-V588 HydrophobicContact CD1-CG1 3.57Å; F573-V588 HydrophobicContact CD1-CG2 4.03Å; F573-V588 HydrophobicContact CD2-CG1 4.17Å; F573-V588 HydrophobicContact CE1-CG1 4.11Å; F573-V588 HydrophobicContact CE1-CG2 4.36Å; F573-V588 HydrophobicContact CG-CG1 3.61Å; F573-F591 HydrophobicContact CE2-CE1 4.34Å; F573-F591 HydrophobicContact CZ-CD1 4.3Å; F573-F591 HydrophobicContact CZ-CE1 4.12Å; F573-L592 HydrophobicContact CD2-CD2 4.47Å; F573-L592 HydrophobicContact CE2-CD2 4.29Å; F573-Y603 HydrophobicContact CB-CD2 4.15Å; F573-Y603 HydrophobicContact CB-CE2 3.81Å; F573-W611 VanDerWaalsContact O-CH2 3.32Å; F573-W611 WeakPolarHBondContact O-CH2 3.43Å |
| 574 | T | 92.8 | Very high | 91.3 | Very high | 17 Ų | 17 | 54 Ų | 54 | 10% | 0.104 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -129.8 | 13.3 | -172.9 | 66 | 0 | 0 | 0 | 0 | 113.8 | L570 K571 Y603 H606 | L570-T574 HydrophobicContact CD1-CG2 4.01Å; L570-T574 HydrophobicContact CG-CG2 3.88Å; L570-T574 PolarHBondContact O-N 3.1Å; L570-T574 PolarHBondContact O-OG1 3.27Å; K571-T574 WeakPolarHBondContact CA-OG1 3.47Å; T574-Y603 HydrophobicContact CG2-CD2 3.71Å; T574-Y603 HydrophobicContact CG2-CE2 4.25Å; T574-H606 HydrophobicContact CG2-CB 4.2Å; T574-H606 PolarHBondContact O-CE1 3.24Å; T574-H606 VanDerWaalsContact O-CE1 3.25Å; T574-H606 PolarHBondContact O-NE2 3.09Å; T574-H606 VanDerWaalsContact O-NE2 3.13Å |
| 575 | E | 92.3 | Very high | 91.4 | Very high | 73 Ų | 73 | 52.5 Ų | 52.5 | 34% | 0.341 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -81.9 | 146 | 175.7 | -165.7 | 72.3 | -102.5 | 0 | 0 | 110.6 | Q544 K571 L577 V580 | Q544-E575 HydrophobicContact CG-CB 4.42Å; Q544-E575 VanDerWaalsContact NE2-CB 3.31Å; Q544-E575 PolarHBondContact NE2-OE2 2.92Å; Q544-E575 VanDerWaalsContact NE2-OE2 3.1Å; K571-E575 WeakPolarHBondContact O-CB 3.49Å; K571-E575 PolarHBondContact O-N 2.85Å; E575-L577 HydrophobicContact CB-CD1 4.43Å; E575-L577 HydrophobicContact CG-CD1 3.9Å; E575-L577 HydrophobicContact CG-CG 3.95Å; E575-L577 PolarHBondContact O-N 3Å; E575-V580 HydrophobicContact CB-CG2 4.49Å |
| 576 | D | 88.3 | Confident | 91.3 | Very high | 105 Ų | 105 | 51.9 Ų | 51.9 | 56% | 0.561 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -76.2 | 63.2 | 178.9 | -62.3 | -28.9 | 0 | 0 | 0 | 111.2 | W611 | D576-W611 PolarHBondContact OD1-NE1 3.23Š|
| 577 | L | 90.2 | Very high | 91.4 | Very high | 55 Ų | 55 | 57.2 Ų | 57.2 | 29% | 0.288 | 29% | 0.286 | S | S | . | . | trans | -124.3 | 140.1 | 177 | -69.4 | 172.3 | 0 | 0 | 0 | 109.9 | Q544 E575 E579 V580 E581 | Q544-L577 HydrophobicContact CB-CD1 3.86Å; E575-L577 HydrophobicContact CB-CD1 4.43Å; E575-L577 HydrophobicContact CG-CD1 3.9Å; E575-L577 HydrophobicContact CG-CG 3.95Å; E575-L577 PolarHBondContact O-N 3Å; L577-E579 VanDerWaalsContact C-N 3.25Å; L577-E579 PolarHBondContact O-N 3.38Å; L577-V580 HydrophobicContact CB-CB 4.32Å; L577-V580 HydrophobicContact CB-CG2 3.95Å; L577-V580 HydrophobicContact CD1-CG2 4.42Å; L577-V580 PolarHBondContact O-N 3.13Å; L577-E581 PolarHBondContact O-N 3.28Å | ||
| 578 | P | 87.8 | Confident | 91.6 | Very high | 89 Ų | 89 | 50.9 Ų | 50.9 | 58% | 0.578 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -62.6 | -33.4 | -175.7 | 24.6 | -32 | 0 | 0 | 0 | 112.3 | V580 S582 | P578-V580 VanDerWaalsContact C-N 3.34Å; P578-S582 VanDerWaalsContact O-CB 3.27Å; P578-S582 WeakPolarHBondContact O-CB 3.28Å; P578-S582 PolarHBondContact O-N 3.25Å; P578-S582 VanDerWaalsContact O-N 3.09Å; P578-S582 PolarHBondContact O-OG 2.82Å |
| 579 | E | 89.8 | Confident | 91.7 | Very high | 75 Ų | 75 | 48.5 Ų | 48.5 | 35% | 0.35 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.1 | -40 | 175.1 | -63.2 | 81.2 | -176.2 | 0 | 0 | 111.7 | Q544 L577 S582 | Q544-E579 WeakPolarHBondContact O-CB 3.42Å; L577-E579 VanDerWaalsContact C-N 3.25Å; L577-E579 PolarHBondContact O-N 3.38Å; E579-S582 PolarHBondContact O-OG 3.31Å |
| 580 | V | 90.5 | Very high | 91.7 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -73.7 | -45.7 | -179.5 | -177.1 | 0 | 0 | 0 | 0 | 110.9 | Q544 I572 F573 E575 L577 P578 S582 L583 W611 | Q544-V580 HydrophobicContact CB-CG2 3.9Å; Q544-V580 HydrophobicContact CG-CG2 4.15Å; Q544-V580 VanDerWaalsContact O-CG2 3.28Å; Q544-V580 WeakPolarHBondContact O-CG2 3.25Å; I572-V580 WeakPolarHBondContact O-CG1 3.28Å; F573-V580 VanDerWaalsContact C-CG1 3.43Å; E575-V580 HydrophobicContact CB-CG2 4.49Å; L577-V580 HydrophobicContact CB-CB 4.32Å; L577-V580 HydrophobicContact CB-CG2 3.95Å; L577-V580 HydrophobicContact CD1-CG2 4.42Å; L577-V580 PolarHBondContact O-N 3.13Å; P578-V580 VanDerWaalsContact C-N 3.34Å; V580-S582 PolarHBondContact O-N 3.35Å; V580-L583 HydrophobicContact CG1-CD1 4.37Å; V580-L583 VanDerWaalsContact O-CB 3.27Å; V580-L583 WeakPolarHBondContact O-CB 3.46Å; V580-L583 WeakPolarHBondContact O-CG 3.43Å; V580-L583 PolarHBondContact O-N 3.08Å; V580-W611 HydrophobicContact CG1-CH2 4.18Å |
| 581 | E | 87.6 | Confident | 91.7 | Very high | 86 Ų | 86 | 49.7 Ų | 49.7 | 40% | 0.402 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.8 | -31.7 | 176.2 | -73.4 | -180 | -163.5 | 0 | 0 | 112.5 | L577 L583 W611 | L577-E581 PolarHBondContact O-N 3.28Å; E581-L583 VanDerWaalsContact C-N 3.26Å; E581-L583 PolarHBondContact O-N 3.46Å; E581-W611 HydrophobicContact CG-CH2 4.21Å; E581-W611 HydrophobicContact CG-CZ2 3.9Å |
| 582 | S | 89.3 | Confident | 91.8 | Very high | 64 Ų | 64 | 45.5 Ų | 45.5 | 45% | 0.448 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -13 | 177.9 | 79.3 | 0 | 0 | 0 | 0 | 114.1 | T548 P578 E579 V580 | T548-S582 WeakPolarHBondContact CG2-O 3.41Å; P578-S582 VanDerWaalsContact O-CB 3.27Å; P578-S582 WeakPolarHBondContact O-CB 3.28Å; P578-S582 PolarHBondContact O-N 3.25Å; P578-S582 VanDerWaalsContact O-N 3.09Å; P578-S582 PolarHBondContact O-OG 2.82Å; E579-S582 PolarHBondContact O-OG 3.31Å; V580-S582 PolarHBondContact O-N 3.35Å |
| 583 | L | 92.4 | Very high | 91.7 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -62.2 | 141.1 | -179.5 | -64.8 | 177.2 | 0 | 0 | 0 | 111.1 | T548 L551 I554 F573 V580 E581 R585 V588 | T548-L583 HydrophobicContact CG2-CD2 4.31Å; L551-L583 HydrophobicContact CD1-CD2 4.08Å; I554-L583 HydrophobicContact CD1-CD1 4.48Å; I554-L583 HydrophobicContact CD1-CD2 3.9Å; F573-L583 HydrophobicContact CD1-CD1 4.12Å; V580-L583 HydrophobicContact CG1-CD1 4.37Å; V580-L583 VanDerWaalsContact O-CB 3.27Å; V580-L583 WeakPolarHBondContact O-CB 3.46Å; V580-L583 WeakPolarHBondContact O-CG 3.43Å; V580-L583 PolarHBondContact O-N 3.08Å; E581-L583 VanDerWaalsContact C-N 3.26Å; E581-L583 PolarHBondContact O-N 3.46Å; L583-R585 PolarHBondContact O-N 3.02Å; L583-V588 HydrophobicContact CB-CG2 4.25Å |
| 584 | P | 92.9 | Very high | 91.6 | Very high | 44 Ų | 44 | 55.5 Ų | 55.5 | 29% | 0.286 | 29% | 0.286 | S | S | . | . | trans | -67.8 | 96.6 | 179.2 | 26.8 | -33.9 | 0 | 0 | 0 | 110.7 | L551 D586 R587 V588 | L551-P584 HydrophobicContact CD1-CG 4.36Å; L551-P584 HydrophobicContact CD2-CG 3.66Å; P584-D586 PolarHBondContact O-N 2.95Å; P584-D586 VanDerWaalsContact O-N 3.1Å; P584-R587 HydrophobicContact CB-CB 4.41Å; P584-R587 HydrophobicContact CB-CG 4.33Å; P584-R587 HydrophobicContact CG-CB 4.19Å; P584-R587 HydrophobicContact CG-CG 4.34Å; P584-R587 PolarHBondContact O-N 2.97Å; P584-V588 PolarHBondContact O-N 2.84Å; P584-V588 VanDerWaalsContact O-N 3.12Å | ||
| 585 | R | 93 | Very high | 91.5 | Very high | 48 Ų | 48 | 59 Ų | 59 | 18% | 0.181 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -49.9 | -38.1 | -176.7 | -58.8 | 177.4 | -171.6 | -177.8 | 1.1 | 112.7 | L583 R587 V588 L589 E613 F618 | L583-R585 PolarHBondContact O-N 3.02Å; R585-R587 VanDerWaalsContact C-N 3.35Å; R585-R587 PolarHBondContact O-N 3.13Å; R585-V588 PolarHBondContact O-N 2.8Å; R585-L589 VanDerWaalsContact O-CB 3.3Å; R585-L589 WeakPolarHBondContact O-CB 3.41Å; R585-L589 PolarHBondContact O-N 2.88Å; R585-E613 WeakPolarHBondContact CD-OE2 3.46Å; R585-E613 IonicContact CZ-OE2 3.58Å; R585-E613 IonicContact NE-OE2 2.73Å; R585-E613 IonicContact NH1-OE2 3.81Å; R585-E613 PolarHBondContact NH1-OE2 2.81Å; R585-F618 HydrophobicContact CB-CE1 3.86Å; R585-F618 HydrophobicContact CB-CZ 3.65Å |
| 586 | D | 91.2 | Very high | 91.5 | Very high | 76 Ų | 76 | 57.3 Ų | 57.3 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.2 | -38 | 176.5 | -79.9 | -52.6 | 0 | 0 | 0 | 114.6 | P584 G590 R617 F618 | P584-D586 PolarHBondContact O-N 2.95Å; P584-D586 VanDerWaalsContact O-N 3.1Å; D586-G590 PolarHBondContact O-N 2.93Å; D586-R617 VanDerWaalsContact CG-NH1 3.28Å; D586-R617 PolarHBondContact O-NH1 3.07Å; D586-R617 WeakPolarHBondContact OD1-CD 3.37Å; D586-R617 IonicContact OD1-CZ 3.62Å; D586-R617 IonicContact OD1-NE 3.13Å; D586-R617 IonicContact OD1-NH1 2.64Å; D586-R617 PolarHBondContact OD1-NH1 2.68Å; D586-F618 WeakPolarHBondContact OD1-CZ 3.49Å |
| 587 | R | 93.6 | Very high | 91.5 | Very high | 168 Ų | 168 | 56.7 Ų | 56.7 | 63% | 0.634 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -81.3 | -38.8 | 179.2 | -67.2 | -170.5 | 178.9 | -168.7 | 0.8 | 111 | L551 F555 P584 R585 G590 F591 | L551-R587 HydrophobicContact CD2-CB 4.31Å; F555-R587 HydrophobicContact CE2-CB 4.5Å; F555-R587 HydrophobicContact CZ-CB 4.28Å; P584-R587 HydrophobicContact CB-CB 4.41Å; P584-R587 HydrophobicContact CB-CG 4.33Å; P584-R587 HydrophobicContact CG-CB 4.19Å; P584-R587 HydrophobicContact CG-CG 4.34Å; P584-R587 PolarHBondContact O-N 2.97Å; R585-R587 VanDerWaalsContact C-N 3.35Å; R585-R587 PolarHBondContact O-N 3.13Å; R587-G590 PolarHBondContact O-N 3.46Å; R587-F591 WeakPolarHBondContact O-CB 3.42Å; R587-F591 PolarHBondContact O-N 3.29Å |
| 588 | V | 93.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 174.6 | 177.5 | 0 | 0 | 0 | 0 | 110 | F555 F573 L583 P584 R585 G590 F591 L592 Y603 | F555-V588 HydrophobicContact CE1-CG2 4.25Å; F555-V588 HydrophobicContact CZ-CG2 4.37Å; F573-V588 HydrophobicContact CB-CG1 3.89Å; F573-V588 HydrophobicContact CD1-CB 4.48Å; F573-V588 HydrophobicContact CD1-CG1 3.57Å; F573-V588 HydrophobicContact CD1-CG2 4.03Å; F573-V588 HydrophobicContact CD2-CG1 4.17Å; F573-V588 HydrophobicContact CE1-CG1 4.11Å; F573-V588 HydrophobicContact CE1-CG2 4.36Å; F573-V588 HydrophobicContact CG-CG1 3.61Å; L583-V588 HydrophobicContact CB-CG2 4.25Å; P584-V588 PolarHBondContact O-N 2.84Å; P584-V588 VanDerWaalsContact O-N 3.12Å; R585-V588 PolarHBondContact O-N 2.8Å; V588-G590 PolarHBondContact O-N 3.37Å; V588-F591 WeakPolarHBondContact O-CB 3.39Å; V588-F591 PolarHBondContact O-N 3.25Å; V588-L592 HydrophobicContact CG1-CD1 4.1Å; V588-L592 HydrophobicContact CG1-CG 4.45Å; V588-L592 WeakPolarHBondContact O-CG 3.46Å; V588-L592 PolarHBondContact O-N 2.94Å; V588-Y603 HydrophobicContact CB-CE1 4.47Å; V588-Y603 HydrophobicContact CG1-CE1 4.1Å; V588-Y603 HydrophobicContact CG1-CE2 3.88Å |
| 589 | L | 93.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.6 | -46.2 | 175.2 | 179.1 | 64.3 | 0 | 0 | 0 | 111.9 | R585 F591 L592 V593 Y603 L604 F618 C621 | R585-L589 VanDerWaalsContact O-CB 3.3Å; R585-L589 WeakPolarHBondContact O-CB 3.41Å; R585-L589 PolarHBondContact O-N 2.88Å; L589-F591 VanDerWaalsContact C-N 3.34Å; L589-F591 PolarHBondContact O-N 3.45Å; L589-L592 PolarHBondContact O-N 3.43Å; L589-V593 HydrophobicContact CD1-CG2 3.89Å; L589-V593 HydrophobicContact CG-CG2 4.25Å; L589-V593 WeakPolarHBondContact O-CB 3.35Å; L589-V593 VanDerWaalsContact O-CG2 3.3Å; L589-V593 WeakPolarHBondContact O-CG2 3.4Å; L589-V593 PolarHBondContact O-N 3.23Å; L589-Y603 HydrophobicContact CB-CE1 4.24Å; L589-Y603 HydrophobicContact CD1-CD1 4.3Å; L589-L604 HydrophobicContact CD1-CD1 3.9Å; L589-L604 HydrophobicContact CD1-CD2 3.77Å; L589-L604 HydrophobicContact CD1-CG 3.78Å; L589-L604 HydrophobicContact CD2-CD2 3.99Å; L589-L604 HydrophobicContact CG-CD2 4.49Å; L589-F618 HydrophobicContact CD2-CD1 3.89Å; L589-F618 HydrophobicContact CD2-CE1 4.19Å; L589-C621 HydrophobicContact CD2-CB 4.21Å |
| 590 | G | 92.8 | Very high | 91.8 | Very high | 18 Ų | 18 | 50.2 Ų | 50.2 | 19% | 0.186 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.9 | -47.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D586 R587 V588 L592 V593 E594 | D586-G590 PolarHBondContact O-N 2.93Å; R587-G590 PolarHBondContact O-N 3.46Å; V588-G590 PolarHBondContact O-N 3.37Å; G590-L592 PolarHBondContact O-N 3.26Å; G590-V593 PolarHBondContact O-N 3.49Å; G590-E594 WeakPolarHBondContact O-CB 3.38Å; G590-E594 VanDerWaalsContact O-CG 3.32Å; G590-E594 WeakPolarHBondContact O-CG 3.23Å; G590-E594 PolarHBondContact O-N 3.08Å |
| 591 | F | 94 | Very high | 91.9 | Very high | 21 Ų | 21 | 50.7 Ų | 50.7 | 9% | 0.092 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.3 | -44.7 | 176.8 | 170 | -103.2 | 0 | 0 | 0 | 112.8 | F555 V559 L562 F573 R587 V588 L589 N595 F596 | F555-F591 HydrophobicContact CB-CD2 4.16Å; F555-F591 HydrophobicContact CB-CE2 3.98Å; F555-F591 HydrophobicContact CB-CZ 4.35Å; F555-F591 HydrophobicContact CD1-CB 4.27Å; F555-F591 AromaticContact CD1-CD1 3.79Å; F555-F591 HydrophobicContact CD1-CD1 3.79Å; F555-F591 HydrophobicContact CD1-CD2 4.13Å; F555-F591 HydrophobicContact CD1-CE1 4.1Å; F555-F591 HydrophobicContact CD1-CE2 4.42Å; F555-F591 AromaticContact CD1-CG 3.79Å; F555-F591 HydrophobicContact CD1-CG 3.79Å; F555-F591 HydrophobicContact CD1-CZ 4.4Å; F555-F591 HydrophobicContact CD2-CD2 4.42Å; F555-F591 HydrophobicContact CE1-CB 3.97Å; F555-F591 AromaticContact CE1-CD1 3.98Å; F555-F591 HydrophobicContact CE1-CD1 3.98Å; F555-F591 AromaticContact CE1-CG 3.96Å; F555-F591 HydrophobicContact CE1-CG 3.96Å; F555-F591 HydrophobicContact CE2-CB 4.3Å; F555-F591 HydrophobicContact CG-CD1 4.49Å; F555-F591 HydrophobicContact CG-CD2 4.01Å; F555-F591 HydrophobicContact CG-CE2 4.28Å; F555-F591 HydrophobicContact CG-CG 4.11Å; F555-F591 HydrophobicContact CZ-CB 3.98Å; F555-F591 HydrophobicContact CZ-CG 4.39Å; V559-F591 HydrophobicContact CG2-CZ 4.28Å; L562-F591 HydrophobicContact CD1-CE1 3.65Å; L562-F591 HydrophobicContact CD1-CZ 4.12Å; F573-F591 HydrophobicContact CE2-CE1 4.34Å; F573-F591 HydrophobicContact CZ-CD1 4.3Å; F573-F591 HydrophobicContact CZ-CE1 4.12Å; R587-F591 WeakPolarHBondContact O-CB 3.42Å; R587-F591 PolarHBondContact O-N 3.29Å; V588-F591 WeakPolarHBondContact O-CB 3.39Å; V588-F591 PolarHBondContact O-N 3.25Å; L589-F591 VanDerWaalsContact C-N 3.34Å; L589-F591 PolarHBondContact O-N 3.45Å; F591-N595 WeakPolarHBondContact CD2-ND2 3.35Å; F591-N595 WeakPolarHBondContact O-CB 3.37Å; F591-N595 PolarHBondContact O-N 3.42Å; F591-N595 VanDerWaalsContact O-N 3.08Å; F591-N595 PolarHBondContact O-ND2 2.9Å; F591-F596 HydrophobicContact CE1-CD2 4.38Å; F591-F596 HydrophobicContact CE1-CE2 4.38Å; F591-F596 HydrophobicContact CZ-CD2 4.43Å; F591-F596 HydrophobicContact CZ-CE2 4.05Å |
| 592 | L | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.5 | -42.7 | 178.4 | -69.5 | 176.2 | 0 | 0 | 0 | 112 | L570 F573 V588 L589 G590 E594 F596 K597 L599 A600 Y603 | L570-L592 HydrophobicContact CD1-CD1 4.43Å; F573-L592 HydrophobicContact CD2-CD2 4.47Å; F573-L592 HydrophobicContact CE2-CD2 4.29Å; V588-L592 HydrophobicContact CG1-CD1 4.1Å; V588-L592 HydrophobicContact CG1-CG 4.45Å; V588-L592 WeakPolarHBondContact O-CG 3.46Å; V588-L592 PolarHBondContact O-N 2.94Å; L589-L592 PolarHBondContact O-N 3.43Å; G590-L592 PolarHBondContact O-N 3.26Å; L592-E594 VanDerWaalsContact C-N 3.34Å; L592-E594 PolarHBondContact O-N 3.12Å; L592-F596 HydrophobicContact CD2-CB 4.46Å; L592-F596 CarbonylContact O-C 3.42Å; L592-F596 VanDerWaalsContact O-CA 3.24Å; L592-F596 WeakPolarHBondContact O-CA 3.5Å; L592-F596 PolarHBondContact O-N 3.32Å; L592-K597 PolarHBondContact O-N 3.3Å; L592-K597 VanDerWaalsContact O-N 3.13Å; L592-L599 HydrophobicContact CD2-CB 4.4Å; L592-A600 HydrophobicContact CB-CB 4.5Å; L592-Y603 HydrophobicContact CD1-CD1 3.83Å; L592-Y603 HydrophobicContact CD1-CD2 4.01Å; L592-Y603 HydrophobicContact CD1-CG 3.54Å |
| 593 | V | 91.5 | Very high | 92.4 | Very high | 52 Ų | 52 | 45.6 Ų | 45.6 | 32% | 0.315 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.9 | -39.1 | 178.9 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | L589 G590 A600 | L589-V593 HydrophobicContact CD1-CG2 3.89Å; L589-V593 HydrophobicContact CG-CG2 4.25Å; L589-V593 WeakPolarHBondContact O-CB 3.35Å; L589-V593 VanDerWaalsContact O-CG2 3.3Å; L589-V593 WeakPolarHBondContact O-CG2 3.4Å; L589-V593 PolarHBondContact O-N 3.23Å; G590-V593 PolarHBondContact O-N 3.49Å; V593-A600 HydrophobicContact CG2-CB 3.82Å |
| 594 | E | 92.4 | Very high | 92.5 | Very high | 161 Ų | 161 | 45.2 Ų | 45.2 | 75% | 0.752 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -72.4 | -40.8 | -179.6 | -73.7 | 174.7 | -173.8 | 0 | 0 | 113.3 | G590 L592 | G590-E594 WeakPolarHBondContact O-CB 3.38Å; G590-E594 VanDerWaalsContact O-CG 3.32Å; G590-E594 WeakPolarHBondContact O-CG 3.23Å; G590-E594 PolarHBondContact O-N 3.08Å; L592-E594 VanDerWaalsContact C-N 3.34Å; L592-E594 PolarHBondContact O-N 3.12Å |
| 595 | N | 90.6 | Very high | 92.6 | Very high | 92 Ų | 92 | 45.1 Ų | 45.1 | 49% | 0.492 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -109.2 | -27.8 | -169.2 | -59.9 | -81.6 | 0 | 0 | 0 | 113.9 | F591 | F591-N595 WeakPolarHBondContact CD2-ND2 3.35Å; F591-N595 WeakPolarHBondContact O-CB 3.37Å; F591-N595 PolarHBondContact O-N 3.42Å; F591-N595 VanDerWaalsContact O-N 3.08Å; F591-N595 PolarHBondContact O-ND2 2.9Å |
| 596 | F | 92.1 | Very high | 92.6 | Very high | 36 Ų | 36 | 44.8 Ų | 44.8 | 16% | 0.158 | 24% | 0.236 | C | C | . | . | trans | -144.3 | 54 | -170.1 | -59.5 | -76.2 | 0 | 0 | 0 | 111.9 | V559 L562 R563 F591 L592 G598 L599 | V559-F596 HydrophobicContact CB-CZ 4.48Å; V559-F596 HydrophobicContact CG1-CE2 4.5Å; V559-F596 HydrophobicContact CG1-CZ 3.94Å; L562-F596 HydrophobicContact CB-CD1 4.18Å; L562-F596 HydrophobicContact CB-CD2 4.16Å; L562-F596 HydrophobicContact CB-CE1 3.88Å; L562-F596 HydrophobicContact CB-CE2 3.87Å; L562-F596 HydrophobicContact CB-CG 4.31Å; L562-F596 HydrophobicContact CB-CZ 3.71Å; L562-F596 HydrophobicContact CD1-CD2 3.89Å; L562-F596 HydrophobicContact CD1-CE2 3.7Å; L562-F596 HydrophobicContact CD1-CZ 4.36Å; L562-F596 HydrophobicContact CG-CE2 4.45Å; R563-F596 HydrophobicContact CB-CE1 4.11Å; F591-F596 HydrophobicContact CE1-CD2 4.38Å; F591-F596 HydrophobicContact CE1-CE2 4.38Å; F591-F596 HydrophobicContact CZ-CD2 4.43Å; F591-F596 HydrophobicContact CZ-CE2 4.05Å; L592-F596 HydrophobicContact CD2-CB 4.46Å; L592-F596 CarbonylContact O-C 3.42Å; L592-F596 VanDerWaalsContact O-CA 3.24Å; L592-F596 WeakPolarHBondContact O-CA 3.5Å; L592-F596 PolarHBondContact O-N 3.32Å; F596-G598 PolarHBondContact O-N 3.21Å; F596-L599 HydrophobicContact CB-CB 4.4Å; F596-L599 HydrophobicContact CB-CD1 4.09Å; F596-L599 HydrophobicContact CB-CG 4.4Å; F596-L599 PolarHBondContact O-N 3.43Å | ||
| 597 | K | 87.8 | Confident | 92.7 | Very high | 92 Ų | 92 | 41.1 Ų | 41.1 | 40% | 0.4 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -49.6 | -33.6 | -172 | -169.8 | 174.2 | -176.9 | 173.3 | 0 | 114.5 | L592 L599 A600 L625 E628 | L592-K597 PolarHBondContact O-N 3.3Å; L592-K597 VanDerWaalsContact O-N 3.13Å; K597-L599 VanDerWaalsContact C-N 3.26Å; K597-L599 PolarHBondContact O-N 2.99Å; K597-A600 WeakPolarHBondContact O-CB 3.33Å; K597-A600 PolarHBondContact O-N 3.48Å; K597-L625 HydrophobicContact CG-CD2 4.36Å; K597-E628 WeakPolarHBondContact CE-OE2 3.11Å; K597-E628 IonicContact NZ-OE1 3.85Å; K597-E628 PolarHBondContact NZ-OE1 3.48Å; K597-E628 IonicContact NZ-OE2 3.02Å; K597-E628 PolarHBondContact NZ-OE2 2.84Å |
| 598 | G | 87.1 | Confident | 92.7 | Very high | 66 Ų | 66 | 33.8 Ų | 33.8 | 68% | 0.68 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -61.7 | -27.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | F596 P602 | F596-G598 PolarHBondContact O-N 3.21Å; G598-P602 WeakPolarHBondContact O-CD 3.27Å |
| 599 | L | 92.8 | Very high | 92.6 | Very high | 17 Ų | 17 | 39.3 Ų | 39.3 | 9% | 0.089 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -89.4 | -10.4 | 178.8 | -62.5 | 178.8 | 0 | 0 | 0 | 113.4 | L562 P566 L592 F596 K597 V601 P602 Y603 | L562-L599 HydrophobicContact CB-CD1 4.42Å; L562-L599 HydrophobicContact CD2-CD1 3.67Å; P566-L599 HydrophobicContact CB-CD1 4.24Å; P566-L599 HydrophobicContact CB-CD2 3.87Å; L592-L599 HydrophobicContact CD2-CB 4.4Å; F596-L599 HydrophobicContact CB-CB 4.4Å; F596-L599 HydrophobicContact CB-CD1 4.09Å; F596-L599 HydrophobicContact CB-CG 4.4Å; F596-L599 PolarHBondContact O-N 3.43Å; K597-L599 VanDerWaalsContact C-N 3.26Å; K597-L599 PolarHBondContact O-N 2.99Å; L599-V601 VanDerWaalsContact C-N 3.35Å; L599-V601 PolarHBondContact O-N 3.03Å; L599-P602 WeakPolarHBondContact O-CD 3.09Å; L599-Y603 WeakPolarHBondContact O-CB 3.26Å; L599-Y603 PolarHBondContact O-N 3.12Å; L599-Y603 VanDerWaalsContact O-N 3.12Å |
| 600 | A | 93.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.9 | -35.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L592 V593 K597 L604 L625 | L592-A600 HydrophobicContact CB-CB 4.5Å; V593-A600 HydrophobicContact CG2-CB 3.82Å; K597-A600 WeakPolarHBondContact O-CB 3.33Å; K597-A600 PolarHBondContact O-N 3.48Å; A600-L604 WeakPolarHBondContact O-CB 3.38Å; A600-L604 VanDerWaalsContact O-CG 3.23Å; A600-L604 WeakPolarHBondContact O-CG 3.46Å; A600-L604 PolarHBondContact O-N 3.42Å; A600-L625 HydrophobicContact CB-CD1 3.8Å |
| 601 | V | 93 | Very high | 92.4 | Very high | 13 Ų | 13 | 44 Ų | 44 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.9 | -54.3 | 177.8 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | L599 Y603 L604 E605 L622 L625 Y626 Y660 | L599-V601 VanDerWaalsContact C-N 3.35Å; L599-V601 PolarHBondContact O-N 3.03Å; V601-Y603 VanDerWaalsContact C-N 3.25Å; V601-Y603 PolarHBondContact O-N 2.76Å; V601-L604 PolarHBondContact O-N 3.5Å; V601-L604 VanDerWaalsContact O-N 3.11Å; V601-E605 HydrophobicContact CG1-CG 4.24Å; V601-E605 WeakPolarHBondContact O-CG 3.45Å; V601-E605 PolarHBondContact O-N 2.86Å; V601-L622 HydrophobicContact CG1-CD1 4.2Å; V601-L625 HydrophobicContact CG2-CB 3.75Å; V601-L625 HydrophobicContact CG2-CD1 4.06Å; V601-Y626 HydrophobicContact CG1-CD1 4.28Å; V601-Y626 HydrophobicContact CG1-CE1 3.6Å; V601-Y660 HydrophobicContact CG1-CE1 4.27Å |
| 602 | P | 93.8 | Very high | 92.3 | Very high | 40 Ų | 40 | 50.5 Ų | 50.5 | 26% | 0.26 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.1 | -38 | 175.3 | -27.7 | 35.2 | 0 | 0 | 0 | 113.7 | L570 G598 L599 H606 | L570-P602 HydrophobicContact CD2-CB 3.61Å; G598-P602 WeakPolarHBondContact O-CD 3.27Å; L599-P602 WeakPolarHBondContact O-CD 3.09Å; P602-H606 WeakPolarHBondContact O-CB 3.32Å; P602-H606 PolarHBondContact O-N 3.09Å |
| 603 | Y | 94.7 | Very high | 92.1 | Very high | 3 Ų | 3 | 52.4 Ų | 52.4 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.1 | -50.1 | 174.1 | 179.6 | -110.2 | 0 | 0 | 0 | 112.1 | L570 F573 T574 V588 L589 L592 L599 V601 H606 I607 | L570-Y603 HydrophobicContact CD1-CD2 4.26Å; F573-Y603 HydrophobicContact CB-CD2 4.15Å; F573-Y603 HydrophobicContact CB-CE2 3.81Å; T574-Y603 HydrophobicContact CG2-CD2 3.71Å; T574-Y603 HydrophobicContact CG2-CE2 4.25Å; V588-Y603 HydrophobicContact CB-CE1 4.47Å; V588-Y603 HydrophobicContact CG1-CE1 4.1Å; V588-Y603 HydrophobicContact CG1-CE2 3.88Å; L589-Y603 HydrophobicContact CB-CE1 4.24Å; L589-Y603 HydrophobicContact CD1-CD1 4.3Å; L592-Y603 HydrophobicContact CD1-CD1 3.83Å; L592-Y603 HydrophobicContact CD1-CD2 4.01Å; L592-Y603 HydrophobicContact CD1-CG 3.54Å; L599-Y603 WeakPolarHBondContact O-CB 3.26Å; L599-Y603 PolarHBondContact O-N 3.12Å; L599-Y603 VanDerWaalsContact O-N 3.12Å; V601-Y603 VanDerWaalsContact C-N 3.25Å; V601-Y603 PolarHBondContact O-N 2.76Å; Y603-H606 PolarHBondContact O-N 3.13Å; Y603-I607 HydrophobicContact CD1-CD1 4.45Å; Y603-I607 HydrophobicContact CD2-CG2 4.27Å; Y603-I607 HydrophobicContact CE1-CD1 3.98Å; Y603-I607 HydrophobicContact CE1-CG2 4.19Å; Y603-I607 HydrophobicContact CE2-CG2 3.78Å; Y603-I607 WeakPolarHBondContact O-CG2 3.43Å; Y603-I607 PolarHBondContact O-N 3.03Å |
| 604 | L | 94.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.4 | -41.3 | -179.8 | -75.5 | 171 | 0 | 0 | 0 | 112.2 | L589 A600 V601 H606 I607 I608 F618 C621 L622 L625 | L589-L604 HydrophobicContact CD1-CD1 3.9Å; L589-L604 HydrophobicContact CD1-CD2 3.77Å; L589-L604 HydrophobicContact CD1-CG 3.78Å; L589-L604 HydrophobicContact CD2-CD2 3.99Å; L589-L604 HydrophobicContact CG-CD2 4.49Å; A600-L604 WeakPolarHBondContact O-CB 3.38Å; A600-L604 VanDerWaalsContact O-CG 3.23Å; A600-L604 WeakPolarHBondContact O-CG 3.46Å; A600-L604 PolarHBondContact O-N 3.42Å; V601-L604 PolarHBondContact O-N 3.5Å; V601-L604 VanDerWaalsContact O-N 3.11Å; L604-H606 VanDerWaalsContact C-N 3.3Å; L604-H606 PolarHBondContact O-N 3Å; L604-I607 HydrophobicContact CD2-CD1 3.89Å; L604-I607 WeakPolarHBondContact O-CG1 3.28Å; L604-I607 PolarHBondContact O-N 3.41Å; L604-I608 VanDerWaalsContact O-CB 3.3Å; L604-I608 WeakPolarHBondContact O-CB 3.27Å; L604-I608 WeakPolarHBondContact O-CD1 3.21Å; L604-I608 VanDerWaalsContact O-CG1 3.25Å; L604-I608 WeakPolarHBondContact O-CG1 3.22Å; L604-I608 PolarHBondContact O-N 3.03Å; L604-F618 HydrophobicContact CD2-CB 4.04Å; L604-F618 HydrophobicContact CD2-CD1 4.09Å; L604-C621 HydrophobicContact CD1-CB 4.26Å; L604-L622 HydrophobicContact CB-CB 4.22Å; L604-L622 HydrophobicContact CB-CD1 3.91Å; L604-L622 HydrophobicContact CB-CD2 4.44Å; L604-L622 HydrophobicContact CB-CG 4.41Å; L604-L622 HydrophobicContact CD1-CB 3.99Å; L604-L622 HydrophobicContact CD1-CD1 4.29Å; L604-L625 HydrophobicContact CD1-CD1 3.72Å |
| 605 | E | 93.5 | Very high | 92.1 | Very high | 42 Ų | 42 | 46.6 Ų | 46.6 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.5 | -45.7 | 173.3 | -76 | 179.8 | 154.8 | 0 | 0 | 110.4 | V601 H609 L622 Y626 K663 | V601-E605 HydrophobicContact CG1-CG 4.24Å; V601-E605 WeakPolarHBondContact O-CG 3.45Å; V601-E605 PolarHBondContact O-N 2.86Å; E605-H609 VanDerWaalsContact O-CB 3.22Å; E605-H609 WeakPolarHBondContact O-CB 3.27Å; E605-H609 PolarHBondContact O-CD2 2.8Å; E605-H609 VanDerWaalsContact O-CD2 3.23Å; E605-H609 PolarHBondContact O-N 3.11Å; E605-L622 HydrophobicContact CG-CD1 4.5Å; E605-Y626 VanDerWaalsContact CG-OH 3.27Å; E605-Y626 WeakPolarHBondContact CG-OH 3.23Å; E605-Y626 PolarHBondContact OE1-OH 3.26Å; E605-K663 IonicContact OE1-NZ 3.57Å; E605-K663 PolarHBondContact OE1-NZ 3.35Å; E605-K663 IonicContact OE2-NZ 2.67Å |
| 606 | H | 93.4 | Very high | 92.2 | Very high | 41 Ų | 41 | 45.3 Ų | 45.3 | 19% | 0.19 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -53.4 | 178 | -176.7 | 90.7 | 0 | 0 | 0 | 112.1 | T574 P602 Y603 L604 I608 V610 W611 | T574-H606 HydrophobicContact CG2-CB 4.2Å; T574-H606 PolarHBondContact O-CE1 3.24Å; T574-H606 VanDerWaalsContact O-CE1 3.25Å; T574-H606 PolarHBondContact O-NE2 3.09Å; T574-H606 VanDerWaalsContact O-NE2 3.13Å; P602-H606 WeakPolarHBondContact O-CB 3.32Å; P602-H606 PolarHBondContact O-N 3.09Å; Y603-H606 PolarHBondContact O-N 3.13Å; L604-H606 VanDerWaalsContact C-N 3.3Å; L604-H606 PolarHBondContact O-N 3Å; H606-I608 PolarHBondContact O-N 2.97Å; H606-V610 WeakPolarHBondContact O-CA 3.17Å; H606-V610 WeakPolarHBondContact O-CB 3.13Å; H606-V610 PolarHBondContact O-N 3.28Å; H606-W611 AromaticContact CD2-CE2 3.9Å; H606-W611 AromaticContact NE2-CD1 3.94Å; H606-W611 AromaticContact NE2-CE2 3.41Å; H606-W611 AromaticContact NE2-CZ2 3.72Å; H606-W611 AromaticContact NE2-NE1 3.31Å; H606-W611 PolarHBondContact NE2-NE1 2.71Å; H606-W611 PolarHBondContact O-N 3.34Å |
| 607 | I | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.8 | -28.8 | -176.5 | 72 | -178.9 | 0 | 0 | 0 | 112.7 | Y603 L604 W611 E612 E613 F618 | Y603-I607 HydrophobicContact CD1-CD1 4.45Å; Y603-I607 HydrophobicContact CD2-CG2 4.27Å; Y603-I607 HydrophobicContact CE1-CD1 3.98Å; Y603-I607 HydrophobicContact CE1-CG2 4.19Å; Y603-I607 HydrophobicContact CE2-CG2 3.78Å; Y603-I607 WeakPolarHBondContact O-CG2 3.43Å; Y603-I607 PolarHBondContact O-N 3.03Å; L604-I607 HydrophobicContact CD2-CD1 3.89Å; L604-I607 WeakPolarHBondContact O-CG1 3.28Å; L604-I607 PolarHBondContact O-N 3.41Å; I607-W611 HydrophobicContact CB-CE3 4.17Å; I607-W611 HydrophobicContact CG2-CE3 3.7Å; I607-W611 HydrophobicContact CG2-CZ3 3.93Å; I607-W611 CarbonylContact O-C 3.24Å; I607-W611 WeakPolarHBondContact O-CB 3.4Å; I607-E612 PolarHBondContact O-N 3.45Å; I607-E613 HydrophobicContact CG1-CB 4.45Å; I607-E613 VanDerWaalsContact O-CB 3.25Å; I607-E613 WeakPolarHBondContact O-CB 3.24Å; I607-E613 PolarHBondContact O-N 2.99Å; I607-F618 HydrophobicContact CD1-CB 4.32Å; I607-F618 HydrophobicContact CD1-CD1 3.77Å; I607-F618 HydrophobicContact CD1-CE1 4.32Å; I607-F618 HydrophobicContact CD1-CG 4.05Å |
| 608 | I | 93.8 | Very high | 92.4 | Very high | 14 Ų | 14 | 45.7 Ų | 45.7 | 7% | 0.072 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -85 | -43.7 | -178.9 | -66.8 | 166 | 0 | 0 | 0 | 111.2 | L604 H606 E612 F618 L622 F667 | L604-I608 VanDerWaalsContact O-CB 3.3Å; L604-I608 WeakPolarHBondContact O-CB 3.27Å; L604-I608 WeakPolarHBondContact O-CD1 3.21Å; L604-I608 VanDerWaalsContact O-CG1 3.25Å; L604-I608 WeakPolarHBondContact O-CG1 3.22Å; L604-I608 PolarHBondContact O-N 3.03Å; H606-I608 PolarHBondContact O-N 2.97Å; I608-E612 WeakPolarHBondContact O-CA 3.32Å; I608-E612 PolarHBondContact O-N 2.93Å; I608-F618 HydrophobicContact CD1-CB 4.32Å; I608-L622 HydrophobicContact CD1-CB 4.22Å; I608-L622 HydrophobicContact CD1-CD2 3.72Å; I608-F667 HydrophobicContact CD1-CZ 4.05Å; I608-F667 HydrophobicContact CG2-CE2 3.82Å; I608-F667 HydrophobicContact CG2-CZ 4.1Å |
| 609 | H | 92.4 | Very high | 92.7 | Very high | 115 Ų | 115 | 42.8 Ų | 42.8 | 53% | 0.532 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -89.2 | -31.5 | -175 | -63 | -53.1 | 0 | 0 | 0 | 113.8 | E605 | E605-H609 VanDerWaalsContact O-CB 3.22Å; E605-H609 WeakPolarHBondContact O-CB 3.27Å; E605-H609 PolarHBondContact O-CD2 2.8Å; E605-H609 VanDerWaalsContact O-CD2 3.23Å; E605-H609 PolarHBondContact O-N 3.11Å |
| 610 | V | 91.1 | Very high | 92.7 | Very high | 83 Ų | 83 | 42.7 Ų | 42.7 | 50% | 0.503 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -48 | -178.4 | -173 | 0 | 0 | 0 | 0 | 110.6 | H606 | H606-V610 WeakPolarHBondContact O-CA 3.17Å; H606-V610 WeakPolarHBondContact O-CB 3.13Å; H606-V610 PolarHBondContact O-N 3.28Å |
| 611 | W | 90.1 | Very high | 92.7 | Very high | 35 Ų | 35 | 43.7 Ų | 43.7 | 13% | 0.133 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -92.8 | 5.4 | -179.7 | -61.3 | -12.8 | 0 | 0 | 0 | 114.3 | F573 D576 V580 E581 H606 I607 E613 | F573-W611 VanDerWaalsContact O-CH2 3.32Å; F573-W611 WeakPolarHBondContact O-CH2 3.43Å; D576-W611 PolarHBondContact OD1-NE1 3.23Å; V580-W611 HydrophobicContact CG1-CH2 4.18Å; E581-W611 HydrophobicContact CG-CH2 4.21Å; E581-W611 HydrophobicContact CG-CZ2 3.9Å; H606-W611 AromaticContact CD2-CE2 3.9Å; H606-W611 AromaticContact NE2-CD1 3.94Å; H606-W611 AromaticContact NE2-CE2 3.41Å; H606-W611 AromaticContact NE2-CZ2 3.72Å; H606-W611 AromaticContact NE2-NE1 3.31Å; H606-W611 PolarHBondContact NE2-NE1 2.71Å; H606-W611 PolarHBondContact O-N 3.34Å; I607-W611 HydrophobicContact CB-CE3 4.17Å; I607-W611 HydrophobicContact CG2-CE3 3.7Å; I607-W611 HydrophobicContact CG2-CZ3 3.93Å; I607-W611 CarbonylContact O-C 3.24Å; I607-W611 WeakPolarHBondContact O-CB 3.4Å; W611-E613 PolarHBondContact O-N 2.74Å; W611-E613 VanDerWaalsContact O-N 3.11Å |
| 612 | E | 91.1 | Very high | 92.7 | Very high | 158 Ų | 158 | 43.1 Ų | 43.1 | 74% | 0.738 | 22% | 0.221 | S | C | * | . | trans | 51.4 | 36 | 175.2 | -58.1 | -173.9 | 166.6 | 0 | 0 | 114.3 | I607 I608 T614 | I607-E612 PolarHBondContact O-N 3.45Å; I608-E612 WeakPolarHBondContact O-CA 3.32Å; I608-E612 PolarHBondContact O-N 2.93Å; E612-T614 PolarHBondContact O-N 3.23Å | ||
| 613 | E | 91.1 | Very high | 92.7 | Very high | 40 Ų | 40 | 41.2 Ų | 41.2 | 19% | 0.187 | 21% | 0.209 | C | C | . | . | trans | -62.4 | 132 | -179.9 | -180 | 55 | -98.9 | 0 | 0 | 111.6 | R585 I607 W611 G615 F618 H619 | R585-E613 WeakPolarHBondContact CD-OE2 3.46Å; R585-E613 IonicContact CZ-OE2 3.58Å; R585-E613 IonicContact NE-OE2 2.73Å; R585-E613 IonicContact NH1-OE2 3.81Å; R585-E613 PolarHBondContact NH1-OE2 2.81Å; I607-E613 HydrophobicContact CG1-CB 4.45Å; I607-E613 VanDerWaalsContact O-CB 3.25Å; I607-E613 WeakPolarHBondContact O-CB 3.24Å; I607-E613 PolarHBondContact O-N 2.99Å; W611-E613 PolarHBondContact O-N 2.74Å; W611-E613 VanDerWaalsContact O-N 3.11Å; E613-G615 PolarHBondContact OE1-N 3.47Å; E613-F618 HydrophobicContact CG-CD2 3.45Å; E613-F618 VanDerWaalsContact CG-CD2 3.45Å; E613-F618 HydrophobicContact CG-CE2 3.9Å; E613-F618 HydrophobicContact CG-CG 4.18Å; E613-H619 PolarHBondContact O-NE2 3.12Å | ||
| 614 | T | 91.9 | Very high | 92.5 | Very high | 68 Ų | 68 | 45 Ų | 45 | 42% | 0.417 | 23% | 0.227 | S | C | . | . | trans | -108.2 | -1.8 | -174.9 | 59.1 | 0 | 0 | 0 | 0 | 113.2 | E612 T616 Y673 | E612-T614 PolarHBondContact O-N 3.23Å; T614-T616 PolarHBondContact O-N 3.48Å; T614-Y673 HydrophobicContact CG2-CD1 4.16Å; T614-Y673 HydrophobicContact CG2-CD2 4.36Å; T614-Y673 HydrophobicContact CG2-CE1 3.64Å; T614-Y673 HydrophobicContact CG2-CE2 3.87Å; T614-Y673 HydrophobicContact CG2-CG 4.5Å; T614-Y673 VanDerWaalsContact CG2-CZ 3.48Å; T614-Y673 WeakPolarHBondContact O-CB 3.34Å; T614-Y673 WeakPolarHBondContact O-CD1 3.47Å | ||
| 615 | G | 91.6 | Very high | 92.4 | Very high | 23 Ų | 23 | 45.7 Ų | 45.7 | 24% | 0.237 | 23% | 0.231 | C | C | . | . | trans | -62.6 | 120.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E613 R617 F618 H619 | E613-G615 PolarHBondContact OE1-N 3.47Å; G615-R617 PolarHBondContact O-N 2.88Å; G615-R617 VanDerWaalsContact O-N 3.09Å; G615-F618 PolarHBondContact O-N 2.65Å; G615-H619 PolarHBondContact O-CD2 3.31Å; G615-H619 PolarHBondContact O-N 3.25Å | ||
| 616 | T | 91.9 | Very high | 92.3 | Very high | 66 Ų | 66 | 43.9 Ų | 43.9 | 41% | 0.405 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -53.5 | -34.5 | -177.7 | -57.7 | 0 | 0 | 0 | 0 | 114.5 | T614 F618 H619 N620 Y673 D675 | T614-T616 PolarHBondContact O-N 3.48Å; T616-F618 VanDerWaalsContact C-N 3.34Å; T616-F618 PolarHBondContact O-N 3.31Å; T616-H619 PolarHBondContact O-N 3.18Å; T616-N620 WeakPolarHBondContact O-CB 3.25Å; T616-N620 PolarHBondContact O-N 3.4Å; T616-N620 PolarHBondContact O-OD1 2.89Å; T616-Y673 WeakPolarHBondContact CA-O 3.38Å; T616-Y673 WeakPolarHBondContact CB-O 3.3Å; T616-Y673 VanDerWaalsContact CG2-O 3.28Å; T616-Y673 WeakPolarHBondContact CG2-O 3.46Å; T616-Y673 PolarHBondContact OG1-O 3.24Å; T616-D675 HydrophobicContact CG2-CB 3.92Å |
| 617 | R | 91.9 | Very high | 92.2 | Very high | 124 Ų | 124 | 42.1 Ų | 42.1 | 47% | 0.468 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.3 | -43.6 | 178.3 | -173.6 | -161.9 | 173.5 | -169.2 | -5 | 111.9 | D586 G615 N620 C621 | D586-R617 VanDerWaalsContact CG-NH1 3.28Å; D586-R617 PolarHBondContact O-NH1 3.07Å; D586-R617 WeakPolarHBondContact OD1-CD 3.37Å; D586-R617 IonicContact OD1-CZ 3.62Å; D586-R617 IonicContact OD1-NE 3.13Å; D586-R617 IonicContact OD1-NH1 2.64Å; D586-R617 PolarHBondContact OD1-NH1 2.68Å; G615-R617 PolarHBondContact O-N 2.88Å; G615-R617 VanDerWaalsContact O-N 3.09Å; R617-N620 PolarHBondContact O-N 2.84Å; R617-C621 VanDerWaalsContact O-CB 3.27Å; R617-C621 WeakPolarHBondContact O-CB 3.35Å; R617-C621 PolarHBondContact O-N 3.4Å |
| 618 | F | 93.6 | Very high | 92 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 5% | 0.048 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67 | -44.5 | -176.9 | -57.2 | -67 | 0 | 0 | 0 | 110.9 | R585 D586 L589 L604 I607 I608 E613 G615 T616 C621 L622 | R585-F618 HydrophobicContact CB-CE1 3.86Å; R585-F618 HydrophobicContact CB-CZ 3.65Å; D586-F618 WeakPolarHBondContact OD1-CZ 3.49Å; L589-F618 HydrophobicContact CD2-CD1 3.89Å; L589-F618 HydrophobicContact CD2-CE1 4.19Å; L604-F618 HydrophobicContact CD2-CB 4.04Å; L604-F618 HydrophobicContact CD2-CD1 4.09Å; I607-F618 HydrophobicContact CD1-CB 4.32Å; I607-F618 HydrophobicContact CD1-CD1 3.77Å; I607-F618 HydrophobicContact CD1-CE1 4.32Å; I607-F618 HydrophobicContact CD1-CG 4.05Å; I608-F618 HydrophobicContact CD1-CB 4.32Å; E613-F618 HydrophobicContact CG-CD2 3.45Å; E613-F618 VanDerWaalsContact CG-CD2 3.45Å; E613-F618 HydrophobicContact CG-CE2 3.9Å; E613-F618 HydrophobicContact CG-CG 4.18Å; G615-F618 PolarHBondContact O-N 2.65Å; T616-F618 VanDerWaalsContact C-N 3.34Å; T616-F618 PolarHBondContact O-N 3.31Å; F618-C621 PolarHBondContact O-N 3.43Å; F618-L622 PolarHBondContact O-N 2.91Å |
| 619 | H | 93.8 | Very high | 91.9 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.028 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.6 | -44.9 | 176.3 | -71.9 | -107.7 | 0 | 0 | 0 | 111.8 | E613 G615 T616 C621 L622 I623 F667 S671 Y673 | E613-H619 PolarHBondContact O-NE2 3.12Å; G615-H619 PolarHBondContact O-CD2 3.31Å; G615-H619 PolarHBondContact O-N 3.25Å; T616-H619 PolarHBondContact O-N 3.18Å; H619-C621 PolarHBondContact O-N 3.12Å; H619-L622 PolarHBondContact O-N 3.41Å; H619-I623 WeakPolarHBondContact O-CD1 3.04Å; H619-I623 VanDerWaalsContact O-CG1 3.32Å; H619-I623 WeakPolarHBondContact O-CG1 3.3Å; H619-I623 PolarHBondContact O-N 3.19Å; H619-F667 HydrophobicContact CB-CE1 4.23Å; H619-F667 HydrophobicContact CB-CZ 4.28Å; H619-F667 AromaticContact CE1-CZ 3.89Å; H619-F667 AromaticContact CG-CZ 3.96Å; H619-F667 AromaticContact ND1-CE1 3.84Å; H619-F667 AromaticContact ND1-CZ 3.23Å; H619-F667 WeakPolarHBondContact ND1-CZ 3.46Å; H619-S671 PolarHBondContact CE1-OG 2.85Å; H619-S671 PolarHBondContact ND1-OG 3.26Å; H619-Y673 AromaticContact CE1-CD2 3.9Å |
| 620 | N | 93.1 | Very high | 91.8 | Very high | 14 Ų | 14 | 44.2 Ų | 44.2 | 8% | 0.075 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.4 | -44.8 | 175 | -72.5 | 5.3 | 0 | 0 | 0 | 111.7 | T616 R617 I623 Q624 Y674 D675 L679 | T616-N620 WeakPolarHBondContact O-CB 3.25Å; T616-N620 PolarHBondContact O-N 3.4Å; T616-N620 PolarHBondContact O-OD1 2.89Å; R617-N620 PolarHBondContact O-N 2.84Å; N620-I623 PolarHBondContact O-N 3.41Å; N620-Q624 VanDerWaalsContact O-CG 3.31Å; N620-Q624 WeakPolarHBondContact O-CG 3.48Å; N620-Q624 PolarHBondContact O-N 2.75Å; N620-Y674 VanDerWaalsContact OD1-CA 3.24Å; N620-Y674 WeakPolarHBondContact OD1-CA 3.31Å; N620-Y674 VanDerWaalsContact OD1-CB 3.23Å; N620-Y674 WeakPolarHBondContact OD1-CB 3.35Å; N620-D675 PolarHBondContact OD1-N 3.35Å; N620-L679 HydrophobicContact CB-CD2 4.1Å |
| 621 | C | 92.5 | Very high | 91.7 | Very high | 22 Ų | 22 | 42.8 Ų | 42.8 | 15% | 0.149 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.5 | -40.2 | -179.2 | -171.4 | 0 | 0 | 0 | 0 | 111.8 | L589 L604 R617 F618 H619 Q624 L625 | L589-C621 HydrophobicContact CD2-CB 4.21Å; L604-C621 HydrophobicContact CD1-CB 4.26Å; R617-C621 VanDerWaalsContact O-CB 3.27Å; R617-C621 WeakPolarHBondContact O-CB 3.35Å; R617-C621 PolarHBondContact O-N 3.4Å; F618-C621 PolarHBondContact O-N 3.43Å; H619-C621 PolarHBondContact O-N 3.12Å; C621-Q624 PolarHBondContact O-N 3.37Å; C621-L625 WeakPolarHBondContact O-CG 3.39Å; C621-L625 PolarHBondContact O-N 3.01Å |
| 622 | L | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.1 | -45.4 | 175.5 | -177.4 | 55.8 | 0 | 0 | 0 | 111.2 | V601 L604 E605 I608 F618 H619 Q624 L625 Y626 F667 | V601-L622 HydrophobicContact CG1-CD1 4.2Å; L604-L622 HydrophobicContact CB-CB 4.22Å; L604-L622 HydrophobicContact CB-CD1 3.91Å; L604-L622 HydrophobicContact CB-CD2 4.44Å; L604-L622 HydrophobicContact CB-CG 4.41Å; L604-L622 HydrophobicContact CD1-CB 3.99Å; L604-L622 HydrophobicContact CD1-CD1 4.29Å; E605-L622 HydrophobicContact CG-CD1 4.5Å; I608-L622 HydrophobicContact CD1-CB 4.22Å; I608-L622 HydrophobicContact CD1-CD2 3.72Å; F618-L622 PolarHBondContact O-N 2.91Å; H619-L622 PolarHBondContact O-N 3.41Å; L622-Q624 VanDerWaalsContact C-N 3.32Å; L622-Q624 PolarHBondContact O-N 3.28Å; L622-L625 PolarHBondContact O-N 3.33Å; L622-Y626 HydrophobicContact CD1-CD1 4.25Å; L622-Y626 HydrophobicContact CD1-CD2 4.21Å; L622-Y626 HydrophobicContact CD1-CE1 3.82Å; L622-Y626 HydrophobicContact CD1-CE2 3.76Å; L622-Y626 HydrophobicContact CD1-CG 4.43Å; L622-Y626 HydrophobicContact CD2-CE2 3.98Å; L622-Y626 HydrophobicContact CG-CD2 4.02Å; L622-Y626 HydrophobicContact CG-CE2 3.62Å; L622-Y626 WeakPolarHBondContact O-CB 3.49Å; L622-Y626 PolarHBondContact O-N 2.98Å; L622-F667 HydrophobicContact CD2-CD2 4.32Å; L622-F667 HydrophobicContact CD2-CE1 4.15Å; L622-F667 HydrophobicContact CD2-CE2 3.9Å; L622-F667 HydrophobicContact CD2-CZ 3.8Å |
| 623 | I | 92.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 175.9 | -68.8 | 162.6 | 0 | 0 | 0 | 111 | H619 N620 Y626 C627 L664 F667 L668 Y674 L679 F683 | H619-I623 WeakPolarHBondContact O-CD1 3.04Å; H619-I623 VanDerWaalsContact O-CG1 3.32Å; H619-I623 WeakPolarHBondContact O-CG1 3.3Å; H619-I623 PolarHBondContact O-N 3.19Å; N620-I623 PolarHBondContact O-N 3.41Å; I623-Y626 PolarHBondContact O-N 3.42Å; I623-C627 WeakPolarHBondContact O-CB 3.47Å; I623-C627 PolarHBondContact O-N 3.45Å; I623-L664 HydrophobicContact CG2-CD1 3.99Å; I623-F667 HydrophobicContact CD1-CD1 4.02Å; I623-F667 HydrophobicContact CD1-CE1 4.03Å; I623-F667 HydrophobicContact CG1-CD1 3.6Å; I623-F667 HydrophobicContact CG1-CE1 3.81Å; I623-L668 HydrophobicContact CD1-CD2 3.82Å; I623-L668 HydrophobicContact CG1-CD2 4.2Å; I623-L668 HydrophobicContact CG2-CD2 4.16Å; I623-Y674 HydrophobicContact CD1-CD1 3.73Å; I623-Y674 HydrophobicContact CD1-CD2 4.11Å; I623-Y674 HydrophobicContact CD1-CE1 4.36Å; I623-Y674 HydrophobicContact CD1-CG 3.57Å; I623-L679 HydrophobicContact CB-CD1 4.22Å; I623-L679 HydrophobicContact CB-CD2 4.4Å; I623-L679 HydrophobicContact CD1-CD1 3.62Å; I623-L679 HydrophobicContact CG2-CD1 4.01Å; I623-L679 HydrophobicContact CG2-CD2 4.18Å; I623-F683 HydrophobicContact CG2-CE2 4.14Å; I623-F683 HydrophobicContact CG2-CZ 3.91Å |
| 624 | Q | 91.5 | Very high | 91.1 | Very high | 82 Ų | 82 | 36.5 Ų | 36.5 | 38% | 0.383 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63 | -44 | 177.6 | -75.6 | 176.4 | -25.2 | 0 | 0 | 112.2 | N620 C621 L622 C627 E628 L679 D682 | N620-Q624 VanDerWaalsContact O-CG 3.31Å; N620-Q624 WeakPolarHBondContact O-CG 3.48Å; N620-Q624 PolarHBondContact O-N 2.75Å; C621-Q624 PolarHBondContact O-N 3.37Å; L622-Q624 VanDerWaalsContact C-N 3.32Å; L622-Q624 PolarHBondContact O-N 3.28Å; Q624-C627 PolarHBondContact O-N 3.39Å; Q624-E628 WeakPolarHBondContact O-CB 3.45Å; Q624-E628 PolarHBondContact O-N 3.03Å; Q624-L679 HydrophobicContact CG-CD2 3.74Å; Q624-D682 WeakPolarHBondContact CG-OD2 3.23Å; Q624-D682 PolarHBondContact NE2-OD2 2.91Å |
| 625 | L | 91.6 | Very high | 90.7 | Very high | 16 Ų | 16 | 39.9 Ų | 39.9 | 8% | 0.084 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.5 | -40.5 | 178.4 | -70.1 | 171.9 | 0 | 0 | 0 | 112.2 | K597 A600 V601 L604 C621 L622 K629 | K597-L625 HydrophobicContact CG-CD2 4.36Å; A600-L625 HydrophobicContact CB-CD1 3.8Å; V601-L625 HydrophobicContact CG2-CB 3.75Å; V601-L625 HydrophobicContact CG2-CD1 4.06Å; L604-L625 HydrophobicContact CD1-CD1 3.72Å; C621-L625 WeakPolarHBondContact O-CG 3.39Å; C621-L625 PolarHBondContact O-N 3.01Å; L622-L625 PolarHBondContact O-N 3.33Å; L625-K629 WeakPolarHBondContact O-CB 3.43Å; L625-K629 PolarHBondContact O-N 3.45Å |
| 626 | Y | 92.5 | Very high | 90.4 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.7 | -48.2 | 170.8 | -74.6 | -24.2 | 0 | 0 | 0 | 111.5 | V601 E605 L622 I623 E628 K629 V630 Y660 K663 L664 F667 | V601-Y626 HydrophobicContact CG1-CD1 4.28Å; V601-Y626 HydrophobicContact CG1-CE1 3.6Å; E605-Y626 VanDerWaalsContact CG-OH 3.27Å; E605-Y626 WeakPolarHBondContact CG-OH 3.23Å; E605-Y626 PolarHBondContact OE1-OH 3.26Å; L622-Y626 HydrophobicContact CD1-CD1 4.25Å; L622-Y626 HydrophobicContact CD1-CD2 4.21Å; L622-Y626 HydrophobicContact CD1-CE1 3.82Å; L622-Y626 HydrophobicContact CD1-CE2 3.76Å; L622-Y626 HydrophobicContact CD1-CG 4.43Å; L622-Y626 HydrophobicContact CD2-CE2 3.98Å; L622-Y626 HydrophobicContact CG-CD2 4.02Å; L622-Y626 HydrophobicContact CG-CE2 3.62Å; L622-Y626 WeakPolarHBondContact O-CB 3.49Å; L622-Y626 PolarHBondContact O-N 2.98Å; I623-Y626 PolarHBondContact O-N 3.42Å; Y626-E628 PolarHBondContact O-N 3.26Å; Y626-K629 PolarHBondContact O-N 2.93Å; Y626-V630 WeakPolarHBondContact O-CB 3.21Å; Y626-V630 VanDerWaalsContact O-CG2 3.23Å; Y626-V630 WeakPolarHBondContact O-CG2 3.27Å; Y626-V630 PolarHBondContact O-N 2.86Å; Y626-Y660 AromaticContact CD1-CD1 3.72Å; Y626-Y660 HydrophobicContact CD1-CD1 3.72Å; Y626-Y660 HydrophobicContact CD1-CE1 4.15Å; Y626-Y660 AromaticContact CE1-CD1 3.91Å; Y626-Y660 HydrophobicContact CE1-CD1 3.91Å; Y626-Y660 HydrophobicContact CE1-CE1 4.06Å; Y626-K663 HydrophobicContact CE1-CD 4.42Å; Y626-K663 HydrophobicContact CE2-CB 4.25Å; Y626-L664 HydrophobicContact CD2-CB 4.41Å; Y626-L664 HydrophobicContact CD2-CD1 4.4Å; Y626-F667 HydrophobicContact CE2-CB 4.45Å |
| 627 | C | 90.9 | Very high | 90 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.02 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60 | -45.7 | 179.8 | -171.7 | 0 | 0 | 0 | 0 | 111.2 | I623 Q624 K629 V630 Q631 F683 | I623-C627 WeakPolarHBondContact O-CB 3.47Å; I623-C627 PolarHBondContact O-N 3.45Å; Q624-C627 PolarHBondContact O-N 3.39Å; C627-K629 PolarHBondContact O-N 3.29Å; C627-V630 PolarHBondContact O-N 2.79Å; C627-Q631 VanDerWaalsContact O-CB 3.31Å; C627-Q631 WeakPolarHBondContact O-CB 3.38Å; C627-Q631 WeakPolarHBondContact O-CG 3.37Å; C627-Q631 PolarHBondContact O-N 3.1Å; C627-Q631 PolarHBondContact SG-NE2 3.23Å; C627-F683 HydrophobicContact CB-CE1 4.46Å; C627-F683 HydrophobicContact CB-CZ 4.16Å |
| 628 | E | 90.1 | Very high | 89.4 | Confident | 106 Ų | 106 | 43 Ų | 43 | 50% | 0.495 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.3 | -44.8 | 176.9 | -171.7 | -176.4 | 166.7 | 0 | 0 | 111.7 | K597 Q624 Y626 Q631 G632 | K597-E628 WeakPolarHBondContact CE-OE2 3.11Å; K597-E628 IonicContact NZ-OE1 3.85Å; K597-E628 PolarHBondContact NZ-OE1 3.48Å; K597-E628 IonicContact NZ-OE2 3.02Å; K597-E628 PolarHBondContact NZ-OE2 2.84Å; Q624-E628 WeakPolarHBondContact O-CB 3.45Å; Q624-E628 PolarHBondContact O-N 3.03Å; Y626-E628 PolarHBondContact O-N 3.26Å; E628-Q631 PolarHBondContact O-N 2.84Å; E628-G632 PolarHBondContact O-N 3.48Å |
| 629 | K | 89.9 | Confident | 88.8 | Confident | 67 Ų | 67 | 49.8 Ų | 49.8 | 29% | 0.291 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.7 | -45.9 | 178 | -172.9 | 164.3 | 177.9 | 172.1 | 0 | 111.5 | L625 Y626 C627 G632 L633 E656 Y660 | L625-K629 WeakPolarHBondContact O-CB 3.43Å; L625-K629 PolarHBondContact O-N 3.45Å; Y626-K629 PolarHBondContact O-N 2.93Å; C627-K629 PolarHBondContact O-N 3.29Å; K629-G632 PolarHBondContact O-N 2.82Å; K629-L633 HydrophobicContact CG-CD1 4.05Å; K629-L633 WeakPolarHBondContact O-CG 3.16Å; K629-L633 PolarHBondContact O-N 2.9Å; K629-E656 VanDerWaalsContact CE-OE2 3.28Å; K629-E656 WeakPolarHBondContact CE-OE2 3.27Å; K629-E656 IonicContact NZ-OE2 2.86Å; K629-E656 PolarHBondContact NZ-OE2 3.41Å; K629-Y660 HydrophobicContact CD-CD1 3.95Å; K629-Y660 HydrophobicContact CD-CD2 3.86Å; K629-Y660 HydrophobicContact CD-CE1 3.75Å; K629-Y660 HydrophobicContact CD-CE2 3.71Å; K629-Y660 HydrophobicContact CD-CG 3.99Å; K629-Y660 HydrophobicContact CG-CD2 4.49Å; K629-Y660 HydrophobicContact CG-CG 4.4Å; K629-Y660 PolarHBondContact NZ-OH 3.09Å |
| 630 | V | 90.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 176.5 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | Y626 C627 G632 L633 M634 L657 R661 L664 L688 | Y626-V630 WeakPolarHBondContact O-CB 3.21Å; Y626-V630 VanDerWaalsContact O-CG2 3.23Å; Y626-V630 WeakPolarHBondContact O-CG2 3.27Å; Y626-V630 PolarHBondContact O-N 2.86Å; C627-V630 PolarHBondContact O-N 2.79Å; V630-G632 VanDerWaalsContact C-N 3.33Å; V630-G632 PolarHBondContact O-N 3.47Å; V630-L633 PolarHBondContact O-N 3.43Å; V630-M634 WeakPolarHBondContact O-CA 3.38Å; V630-M634 WeakPolarHBondContact O-CB 3.44Å; V630-M634 PolarHBondContact O-N 2.65Å; V630-L657 HydrophobicContact CG1-CD1 4.02Å; V630-R661 HydrophobicContact CG1-CB 4.18Å; V630-R661 HydrophobicContact CG1-CG 4.13Å; V630-R661 HydrophobicContact CG2-CB 4.17Å; V630-L664 HydrophobicContact CG2-CD2 4.41Å; V630-L688 HydrophobicContact CG1-CD2 3.67Å |
| 631 | Q | 89 | Confident | 87.2 | Confident | 53 Ų | 53 | 55.9 Ų | 55.9 | 25% | 0.248 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 177.2 | -75.2 | -178.6 | 16.7 | 0 | 0 | 112.6 | C627 E628 K635 D682 L688 | C627-Q631 VanDerWaalsContact O-CB 3.31Å; C627-Q631 WeakPolarHBondContact O-CB 3.38Å; C627-Q631 WeakPolarHBondContact O-CG 3.37Å; C627-Q631 PolarHBondContact O-N 3.1Å; C627-Q631 PolarHBondContact SG-NE2 3.23Å; E628-Q631 PolarHBondContact O-N 2.84Å; Q631-K635 VanDerWaalsContact O-CG 3.31Å; Q631-K635 WeakPolarHBondContact O-CG 3.3Å; Q631-K635 PolarHBondContact O-N 3.31Å; Q631-D682 PolarHBondContact NE2-O 3.41Å; Q631-L688 HydrophobicContact CG-CD1 3.7Å |
| 632 | G | 87.3 | Confident | 86.2 | Confident | 33 Ų | 33 | 58.5 Ų | 58.5 | 34% | 0.34 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.2 | -55.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E628 K629 V630 M634 K635 E636 | E628-G632 PolarHBondContact O-N 3.48Å; K629-G632 PolarHBondContact O-N 2.82Å; V630-G632 VanDerWaalsContact C-N 3.33Å; V630-G632 PolarHBondContact O-N 3.47Å; G632-M634 VanDerWaalsContact C-N 3.33Å; G632-M634 PolarHBondContact O-N 2.95Å; G632-K635 PolarHBondContact O-N 2.93Å; G632-E636 PolarHBondContact O-N 3.39Å |
| 633 | L | 87.6 | Confident | 84.7 | Confident | 40 Ų | 40 | 63.9 Ų | 63.9 | 21% | 0.209 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.3 | -35.5 | -179.8 | -67 | 173.8 | 0 | 0 | 0 | 112.5 | K629 V630 E636 Y637 E656 L657 | K629-L633 HydrophobicContact CG-CD1 4.05Å; K629-L633 WeakPolarHBondContact O-CG 3.16Å; K629-L633 PolarHBondContact O-N 2.9Å; V630-L633 PolarHBondContact O-N 3.43Å; L633-E636 PolarHBondContact O-N 2.81Å; L633-Y637 WeakPolarHBondContact O-CB 3.49Å; L633-Y637 PolarHBondContact O-N 3.02Å; L633-E656 HydrophobicContact CD1-CB 4Å; L633-L657 HydrophobicContact CB-CB 4.17Å; L633-L657 HydrophobicContact CB-CD1 3.76Å; L633-L657 HydrophobicContact CB-CG 4.44Å; L633-L657 HydrophobicContact CD1-CB 4.46Å |
| 634 | M | 85.2 | Confident | 83.1 | Confident | 28 Ų | 28 | 68 Ų | 68 | 14% | 0.138 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.2 | -37.3 | 178.2 | -174.5 | 64.2 | 74.2 | 0 | 0 | 111.8 | V630 G632 E636 Y637 L638 L657 | V630-M634 WeakPolarHBondContact O-CA 3.38Å; V630-M634 WeakPolarHBondContact O-CB 3.44Å; V630-M634 PolarHBondContact O-N 2.65Å; G632-M634 VanDerWaalsContact C-N 3.33Å; G632-M634 PolarHBondContact O-N 2.95Å; M634-E636 VanDerWaalsContact C-N 3.34Å; M634-Y637 PolarHBondContact O-N 3.01Å; M634-Y637 HydrophobicContact SD-CD1 3.97Å; M634-L638 HydrophobicContact CG-CD1 4.06Å; M634-L638 HydrophobicContact CG-CG 4.31Å; M634-L638 WeakPolarHBondContact O-CB 3.25Å; M634-L638 VanDerWaalsContact O-CG 3.25Å; M634-L638 WeakPolarHBondContact O-CG 3.25Å; M634-L638 PolarHBondContact O-N 3.11Å; M634-L638 HydrophobicContact SD-CD1 4.48Å; M634-L638 HydrophobicContact SD-CG 4.25Å; M634-L657 HydrophobicContact CB-CD1 4.34Å; M634-L657 HydrophobicContact CE-CD1 4.21Å; M634-L657 HydrophobicContact CE-CD2 4.37Å; M634-L657 HydrophobicContact SD-CD2 4.35Å |
| 635 | K | 84.5 | Confident | 82 | Confident | 140 Ų | 140 | 71.5 Ų | 71.5 | 61% | 0.609 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -62.1 | -43.6 | 174.4 | -75.5 | 169.7 | -175.3 | 172.9 | 0 | 111.3 | Q631 G632 L639 | Q631-K635 VanDerWaalsContact O-CG 3.31Å; Q631-K635 WeakPolarHBondContact O-CG 3.3Å; Q631-K635 PolarHBondContact O-N 3.31Å; G632-K635 PolarHBondContact O-N 2.93Å; K635-L639 VanDerWaalsContact O-CG 3.24Å; K635-L639 WeakPolarHBondContact O-CG 3.47Å; K635-L639 PolarHBondContact O-N 3.12Å; K635-L639 VanDerWaalsContact O-N 3.12Å |
| 636 | E | 83.8 | Confident | 80.9 | Confident | 132 Ų | 132 | 76.7 Ų | 76.7 | 62% | 0.617 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -65.1 | -45 | 177.2 | -65.3 | 179 | -179.1 | 0 | 0 | 111.4 | G632 L633 M634 L639 S640 | G632-E636 PolarHBondContact O-N 3.39Å; L633-E636 PolarHBondContact O-N 2.81Å; M634-E636 VanDerWaalsContact C-N 3.34Å; E636-L639 PolarHBondContact O-N 2.89Å; E636-S640 PolarHBondContact O-N 2.9Å; E636-S640 VanDerWaalsContact O-N 3.12Å; E636-S640 PolarHBondContact O-OG 3.5Å |
| 637 | Y | 83.4 | Confident | 79.9 | Confident | 48 Ų | 48 | 80 Ų | 80 | 19% | 0.188 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -57.9 | -51 | 176.4 | 177 | -108.6 | 0 | 0 | 0 | 112 | L633 M634 L639 S640 F641 E653 L657 | L633-Y637 WeakPolarHBondContact O-CB 3.49Å; L633-Y637 PolarHBondContact O-N 3.02Å; M634-Y637 PolarHBondContact O-N 3.01Å; M634-Y637 HydrophobicContact SD-CD1 3.97Å; Y637-L639 VanDerWaalsContact C-N 3.33Å; Y637-L639 PolarHBondContact O-N 3.27Å; Y637-S640 PolarHBondContact O-N 3.47Å; Y637-S640 VanDerWaalsContact O-N 3.08Å; Y637-S640 PolarHBondContact O-OG 2.88Å; Y637-F641 HydrophobicContact CE1-CD2 4.13Å; Y637-F641 HydrophobicContact CE1-CE2 4.43Å; Y637-F641 AromaticContact CE2-CD2 3.96Å; Y637-F641 HydrophobicContact CE2-CD2 3.96Å; Y637-F641 HydrophobicContact CE2-CE2 4.27Å; Y637-F641 AromaticContact CZ-CD2 3.62Å; Y637-F641 AromaticContact CZ-CE2 3.72Å; Y637-F641 PolarHBondContact O-N 3.18Å; Y637-F641 VanDerWaalsContact O-N 3.09Å; Y637-F641 WeakPolarHBondContact OH-CE2 3.4Å; Y637-E653 HydrophobicContact CE1-CG 4.5Å; Y637-L657 HydrophobicContact CD1-CD2 4.01Å; Y637-L657 HydrophobicContact CD2-CD2 4.18Å; Y637-L657 HydrophobicContact CG-CD2 3.67Å |
| 638 | L | 80.4 | Confident | 79.4 | Confident | 97 Ų | 97 | 82.7 Ų | 82.7 | 51% | 0.508 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63 | -35.1 | 179.5 | -71.4 | 175.6 | 0 | 0 | 0 | 113.1 | M634 S640 F641 | M634-L638 HydrophobicContact CG-CD1 4.06Å; M634-L638 HydrophobicContact CG-CG 4.31Å; M634-L638 WeakPolarHBondContact O-CB 3.25Å; M634-L638 VanDerWaalsContact O-CG 3.25Å; M634-L638 WeakPolarHBondContact O-CG 3.25Å; M634-L638 PolarHBondContact O-N 3.11Å; M634-L638 HydrophobicContact SD-CD1 4.48Å; M634-L638 HydrophobicContact SD-CG 4.25Å; L638-S640 VanDerWaalsContact C-N 3.29Å; L638-S640 PolarHBondContact O-N 2.68Å; L638-F641 PolarHBondContact O-N 3.33Å |
| 639 | L | 81.1 | Confident | 79 | Confident | 155 Ų | 155 | 81 Ų | 81 | 81% | 0.812 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.3 | -31.4 | 174.8 | -74.8 | 169.6 | 0 | 0 | 0 | 112.5 | K635 E636 Y637 | K635-L639 VanDerWaalsContact O-CG 3.24Å; K635-L639 WeakPolarHBondContact O-CG 3.47Å; K635-L639 PolarHBondContact O-N 3.12Å; K635-L639 VanDerWaalsContact O-N 3.12Å; E636-L639 PolarHBondContact O-N 2.89Å; Y637-L639 VanDerWaalsContact C-N 3.33Å; Y637-L639 PolarHBondContact O-N 3.27Å |
| 640 | S | 78.8 | Confident | 78.7 | Confident | 92 Ų | 92 | 78.6 Ų | 78.6 | 64% | 0.643 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -86.6 | -10 | 179.5 | 74.4 | 0 | 0 | 0 | 0 | 114 | E636 Y637 L638 | E636-S640 PolarHBondContact O-N 2.9Å; E636-S640 VanDerWaalsContact O-N 3.12Å; E636-S640 PolarHBondContact O-OG 3.5Å; Y637-S640 PolarHBondContact O-N 3.47Å; Y637-S640 VanDerWaalsContact O-N 3.08Å; Y637-S640 PolarHBondContact O-OG 2.88Å; L638-S640 VanDerWaalsContact C-N 3.29Å; L638-S640 PolarHBondContact O-N 2.68Å |
| 641 | F | 73.4 | Confident | 78.3 | Confident | 55 Ų | 55 | 79.2 Ų | 79.2 | 24% | 0.241 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -83.9 | 136.8 | -169.3 | -155.1 | -103.9 | 0 | 0 | 0 | 112.8 | Y637 L638 A643 K645 | Y637-F641 HydrophobicContact CE1-CD2 4.13Å; Y637-F641 HydrophobicContact CE1-CE2 4.43Å; Y637-F641 AromaticContact CE2-CD2 3.96Å; Y637-F641 HydrophobicContact CE2-CD2 3.96Å; Y637-F641 HydrophobicContact CE2-CE2 4.27Å; Y637-F641 AromaticContact CZ-CD2 3.62Å; Y637-F641 AromaticContact CZ-CE2 3.72Å; Y637-F641 PolarHBondContact O-N 3.18Å; Y637-F641 VanDerWaalsContact O-N 3.09Å; Y637-F641 WeakPolarHBondContact OH-CE2 3.4Å; L638-F641 PolarHBondContact O-N 3.33Å; F641-A643 PolarHBondContact O-N 3.36Å; F641-K645 HydrophobicContact CE1-CB 3.68Å; F641-K645 WeakPolarHBondContact CE1-O 3.34Å; F641-K645 HydrophobicContact CZ-CB 4.16Å |
| 642 | P | 71.9 | Confident | 78.1 | Confident | 77 Ų | 77 | 83.3 Ų | 83.3 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 131.2 | -179.4 | -18.9 | 29.9 | 0 | 0 | 0 | 112.7 | G644 K645 | P642-G644 PolarHBondContact O-N 3.28Å; P642-K645 PolarHBondContact O-N 3.4Å |
| 643 | A | 62.3 | Low | 78 | Confident | 114 Ų | 114 | 82.3 Ų | 82.3 | 94% | 0.942 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 122.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F641 | F641-A643 PolarHBondContact O-N 3.36Š|
| 644 | G | 59.5 | Low | 77.7 | Confident | 87 Ų | 87 | 89.3 Ų | 89.3 | 90% | 0.897 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104.3 | -3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | P642 | P642-G644 PolarHBondContact O-N 3.28Š|
| 645 | K | 69.1 | Low | 77.8 | Confident | 154 Ų | 154 | 90.5 Ų | 90.5 | 67% | 0.67 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -94.5 | 146.9 | 166.4 | -74.1 | -173.2 | 176.8 | -177.5 | 0 | 110.5 | F641 P642 | F641-K645 HydrophobicContact CE1-CB 3.68Å; F641-K645 WeakPolarHBondContact CE1-O 3.34Å; F641-K645 HydrophobicContact CZ-CB 4.16Å; P642-K645 PolarHBondContact O-N 3.4Å |
| 646 | T | 66.9 | Low | 77.9 | Confident | 125 Ų | 125 | 88.9 Ų | 88.9 | 77% | 0.767 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -75 | 137.1 | 170.3 | 48.8 | 0 | 0 | 0 | 0 | 109.5 | ||
| 647 | P | 72.9 | Confident | 78.1 | Confident | 73 Ų | 73 | 83 Ų | 83 | 47% | 0.474 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 152.6 | 169.9 | -24.4 | 34.3 | 0 | 0 | 0 | 111.6 | ||
| 648 | V | 80.7 | Confident | 78.3 | Confident | 60 Ų | 60 | 80.9 Ų | 80.9 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 157 | 170.3 | -63.5 | 0 | 0 | 0 | 0 | 110.6 | E653 | V648-E653 HydrophobicContact CG2-CB 4.29Å; V648-E653 HydrophobicContact CG2-CG 3.71Å |
| 649 | P | 81.1 | Confident | 78.8 | Confident | 72 Ų | 72 | 81.9 Ų | 81.9 | 47% | 0.468 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 153.1 | 176.3 | -25.2 | 35.4 | 0 | 0 | 0 | 112.8 | G651 E652 | P649-G651 PolarHBondContact O-N 2.91Å; P649-E652 HydrophobicContact CB-CG 4.37Å; P649-E652 PolarHBondContact O-N 3.47Å; P649-E652 VanDerWaalsContact O-N 3.12Å |
| 650 | A | 83 | Confident | 79.2 | Confident | 15 Ų | 15 | 76.4 Ų | 76.4 | 12% | 0.124 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 124.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R661 L665 E690 | A650-R661 VanDerWaalsContact CB-NH2 3.3Å; A650-L665 HydrophobicContact CB-CD1 3.83Å; A650-L665 WeakPolarHBondContact O-CD1 3.22Å; A650-E690 HydrophobicContact CB-CB 4.45Å; A650-E690 VanDerWaalsContact CB-CD 3.46Å; A650-E690 HydrophobicContact CB-CG 4.37Å; A650-E690 VanDerWaalsContact CB-OE1 3.3Å; A650-E690 WeakPolarHBondContact CB-OE1 3.34Å |
| 651 | G | 82 | Confident | 79.8 | Confident | 13 Ų | 13 | 73.1 Ų | 73.1 | 13% | 0.134 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | -3.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | P649 E653 | P649-G651 PolarHBondContact O-N 2.91Å; G651-E653 VanDerWaalsContact CA-OE2 3.27Å; G651-E653 WeakPolarHBondContact CA-OE2 3.31Å; G651-E653 PolarHBondContact N-OE2 3.48Å |
| 652 | E | 84.9 | Confident | 80.7 | Confident | 139 Ų | 139 | 75.5 Ų | 75.5 | 65% | 0.65 | 44% | 0.444 | S | S | * | . | trans | -101.7 | 8.4 | 174 | -63 | -172.3 | 176.8 | 0 | 0 | 112.9 | P649 | P649-E652 HydrophobicContact CB-CG 4.37Å; P649-E652 PolarHBondContact O-N 3.47Å; P649-E652 VanDerWaalsContact O-N 3.12Å | ||
| 653 | E | 86.1 | Confident | 81.7 | Confident | 12 Ų | 12 | 75.7 Ų | 75.7 | 6% | 0.056 | 44% | 0.437 | C | S | . | . | trans | -65.2 | 148.5 | 174.3 | -58.4 | 88.7 | 163.5 | 0 | 0 | 112.2 | Y637 V648 G651 L657 G658 R661 | Y637-E653 HydrophobicContact CE1-CG 4.5Å; V648-E653 HydrophobicContact CG2-CB 4.29Å; V648-E653 HydrophobicContact CG2-CG 3.71Å; G651-E653 VanDerWaalsContact CA-OE2 3.27Å; G651-E653 WeakPolarHBondContact CA-OE2 3.31Å; G651-E653 PolarHBondContact N-OE2 3.48Å; E653-L657 HydrophobicContact CB-CB 4.23Å; E653-L657 HydrophobicContact CB-CD2 3.95Å; E653-L657 HydrophobicContact CB-CG 3.89Å; E653-L657 HydrophobicContact CG-CD2 3.82Å; E653-L657 HydrophobicContact CG-CG 4.03Å; E653-G658 VanDerWaalsContact O-CA 3.23Å; E653-G658 WeakPolarHBondContact O-CA 3.31Å; E653-R661 WeakPolarHBondContact OE1-CD 3.3Å; E653-R661 IonicContact OE1-CZ 3.47Å; E653-R661 IonicContact OE1-NE 2.68Å; E653-R661 IonicContact OE1-NH1 3.63Å; E653-R661 PolarHBondContact OE1-NH1 3.32Å | ||
| 654 | E | 80.9 | Confident | 83.2 | Confident | 188 Ų | 188 | 70.2 Ų | 70.2 | 88% | 0.879 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -76.3 | 146.3 | 177 | -64.7 | -170.7 | 167.4 | 0 | 0 | 112.3 | ||
| 655 | G | 87.3 | Confident | 84.7 | Confident | 52 Ų | 52 | 67.3 Ų | 67.3 | 54% | 0.536 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | -156.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L657 G658 E659 | G655-L657 PolarHBondContact O-N 2.92Å; G655-L657 VanDerWaalsContact O-N 3.13Å; G655-G658 PolarHBondContact O-N 2.8Å; G655-E659 PolarHBondContact O-N 2.93Å |
| 656 | E | 86.8 | Confident | 85.7 | Confident | 106 Ų | 106 | 64.6 Ų | 64.6 | 50% | 0.495 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58 | -29.3 | -176.4 | -69.2 | -166.7 | -158.8 | 0 | 0 | 112.9 | K629 L633 E659 Y660 | K629-E656 VanDerWaalsContact CE-OE2 3.28Å; K629-E656 WeakPolarHBondContact CE-OE2 3.27Å; K629-E656 IonicContact NZ-OE2 2.86Å; K629-E656 PolarHBondContact NZ-OE2 3.41Å; L633-E656 HydrophobicContact CD1-CB 4Å; E656-E659 PolarHBondContact O-N 3.35Å; E656-Y660 HydrophobicContact CB-CD2 4.31Å; E656-Y660 VanDerWaalsContact O-CD2 3.26Å; E656-Y660 WeakPolarHBondContact O-CD2 3.38Å; E656-Y660 PolarHBondContact O-N 3.07Å |
| 657 | L | 87.9 | Confident | 87 | Confident | 10 Ų | 10 | 59.3 Ų | 59.3 | 5% | 0.052 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.8 | -50.3 | -179.6 | 176.9 | 58.7 | 0 | 0 | 0 | 111.6 | V630 L633 M634 Y637 E653 G655 R661 | V630-L657 HydrophobicContact CG1-CD1 4.02Å; L633-L657 HydrophobicContact CB-CB 4.17Å; L633-L657 HydrophobicContact CB-CD1 3.76Å; L633-L657 HydrophobicContact CB-CG 4.44Å; L633-L657 HydrophobicContact CD1-CB 4.46Å; M634-L657 HydrophobicContact CB-CD1 4.34Å; M634-L657 HydrophobicContact CE-CD1 4.21Å; M634-L657 HydrophobicContact CE-CD2 4.37Å; M634-L657 HydrophobicContact SD-CD2 4.35Å; Y637-L657 HydrophobicContact CD1-CD2 4.01Å; Y637-L657 HydrophobicContact CD2-CD2 4.18Å; Y637-L657 HydrophobicContact CG-CD2 3.67Å; E653-L657 HydrophobicContact CB-CB 4.23Å; E653-L657 HydrophobicContact CB-CD2 3.95Å; E653-L657 HydrophobicContact CB-CG 3.89Å; E653-L657 HydrophobicContact CG-CD2 3.82Å; E653-L657 HydrophobicContact CG-CG 4.03Å; G655-L657 PolarHBondContact O-N 2.92Å; G655-L657 VanDerWaalsContact O-N 3.13Å; L657-R661 WeakPolarHBondContact O-CB 3.17Å; L657-R661 PolarHBondContact O-N 2.94Å |
| 658 | G | 88.1 | Confident | 87.8 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E653 G655 Y660 R661 Q662 | E653-G658 VanDerWaalsContact O-CA 3.23Å; E653-G658 WeakPolarHBondContact O-CA 3.31Å; G655-G658 PolarHBondContact O-N 2.8Å; G658-Y660 PolarHBondContact O-N 3.44Å; G658-R661 PolarHBondContact O-N 3.49Å; G658-Q662 WeakPolarHBondContact O-CB 3.38Å; G658-Q662 PolarHBondContact O-N 3.5Å |
| 659 | E | 89.4 | Confident | 88.2 | Confident | 118 Ų | 118 | 57 Ų | 57 | 55% | 0.551 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -57.9 | -50.4 | 178.4 | -67.8 | -176.9 | 179.1 | 0 | 0 | 112.1 | G655 E656 K663 | G655-E659 PolarHBondContact O-N 2.93Å; E656-E659 PolarHBondContact O-N 3.35Å; E659-K663 WeakPolarHBondContact O-CB 3.44Å; E659-K663 VanDerWaalsContact O-CG 3.28Å; E659-K663 WeakPolarHBondContact O-CG 3.45Å; E659-K663 PolarHBondContact O-N 3.03Å |
| 660 | Y | 90.2 | Very high | 88.5 | Confident | 40 Ų | 40 | 59.5 Ų | 59.5 | 16% | 0.157 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -72.1 | -34.4 | -179.8 | -81.7 | -80.1 | 0 | 0 | 0 | 112.8 | V601 Y626 K629 E656 G658 K663 L664 | V601-Y660 HydrophobicContact CG1-CE1 4.27Å; Y626-Y660 AromaticContact CD1-CD1 3.72Å; Y626-Y660 HydrophobicContact CD1-CD1 3.72Å; Y626-Y660 HydrophobicContact CD1-CE1 4.15Å; Y626-Y660 AromaticContact CE1-CD1 3.91Å; Y626-Y660 HydrophobicContact CE1-CD1 3.91Å; Y626-Y660 HydrophobicContact CE1-CE1 4.06Å; K629-Y660 HydrophobicContact CD-CD1 3.95Å; K629-Y660 HydrophobicContact CD-CD2 3.86Å; K629-Y660 HydrophobicContact CD-CE1 3.75Å; K629-Y660 HydrophobicContact CD-CE2 3.71Å; K629-Y660 HydrophobicContact CD-CG 3.99Å; K629-Y660 HydrophobicContact CG-CD2 4.49Å; K629-Y660 HydrophobicContact CG-CG 4.4Å; K629-Y660 PolarHBondContact NZ-OH 3.09Å; E656-Y660 HydrophobicContact CB-CD2 4.31Å; E656-Y660 VanDerWaalsContact O-CD2 3.26Å; E656-Y660 WeakPolarHBondContact O-CD2 3.38Å; E656-Y660 PolarHBondContact O-N 3.07Å; G658-Y660 PolarHBondContact O-N 3.44Å; Y660-K663 PolarHBondContact O-N 3.31Å; Y660-L664 WeakPolarHBondContact O-CB 3.49Å; Y660-L664 PolarHBondContact O-N 3.37Å |
| 661 | R | 92 | Very high | 88.9 | Confident | 23 Ų | 23 | 59.2 Ų | 59.2 | 9% | 0.087 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.8 | -40.5 | 177.3 | -167.1 | 172.2 | -168.4 | -160 | -8.5 | 111.6 | V630 A650 E653 L657 G658 L664 L665 E691 | V630-R661 HydrophobicContact CG1-CB 4.18Å; V630-R661 HydrophobicContact CG1-CG 4.13Å; V630-R661 HydrophobicContact CG2-CB 4.17Å; A650-R661 VanDerWaalsContact CB-NH2 3.3Å; E653-R661 WeakPolarHBondContact OE1-CD 3.3Å; E653-R661 IonicContact OE1-CZ 3.47Å; E653-R661 IonicContact OE1-NE 2.68Å; E653-R661 IonicContact OE1-NH1 3.63Å; E653-R661 PolarHBondContact OE1-NH1 3.32Å; L657-R661 WeakPolarHBondContact O-CB 3.17Å; L657-R661 PolarHBondContact O-N 2.94Å; G658-R661 PolarHBondContact O-N 3.49Å; R661-L664 WeakPolarHBondContact O-CB 3.13Å; R661-L664 PolarHBondContact O-N 3.4Å; R661-L665 HydrophobicContact CG-CD1 4.48Å; R661-L665 WeakPolarHBondContact O-CG 3.46Å; R661-L665 PolarHBondContact O-N 2.63Å; R661-E691 WeakPolarHBondContact CG-OE1 3.32Å; R661-E691 IonicContact CZ-OE1 2.92Å; R661-E691 IonicContact NE-OE1 2.71Å; R661-E691 PolarHBondContact NE-OE1 3.32Å; R661-E691 IonicContact NH2-OE1 3.76Å; R661-E691 PolarHBondContact NH2-OE1 3.31Å; R661-E691 IonicContact NH2-OE2 3.89Å; R661-E691 PolarHBondContact NH2-OE2 2.77Å |
| 662 | Q | 92.5 | Very high | 89.2 | Confident | 105 Ų | 105 | 62.1 Ų | 62.1 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 172.8 | -172.1 | 179.8 | 22.3 | 0 | 0 | 111.3 | G658 L664 L665 M666 | G658-Q662 WeakPolarHBondContact O-CB 3.38Å; G658-Q662 PolarHBondContact O-N 3.5Å; Q662-L664 VanDerWaalsContact C-N 3.31Å; Q662-L664 PolarHBondContact O-N 2.72Å; Q662-L665 PolarHBondContact O-N 2.87Å; Q662-M666 HydrophobicContact CG-CG 4.42Å; Q662-M666 HydrophobicContact CG-SD 4.17Å; Q662-M666 WeakPolarHBondContact O-CB 3.46Å; Q662-M666 WeakPolarHBondContact O-CG 3.23Å; Q662-M666 PolarHBondContact O-N 3.3Å |
| 663 | K | 92.4 | Very high | 89.5 | Confident | 80 Ų | 80 | 60.7 Ų | 60.7 | 35% | 0.348 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.6 | -44.2 | 173.5 | -78.5 | 179.4 | 174.6 | -166.1 | 0 | 111.8 | E605 Y626 E659 Y660 F667 | E605-K663 IonicContact OE1-NZ 3.57Å; E605-K663 PolarHBondContact OE1-NZ 3.35Å; E605-K663 IonicContact OE2-NZ 2.67Å; Y626-K663 HydrophobicContact CE1-CD 4.42Å; Y626-K663 HydrophobicContact CE2-CB 4.25Å; E659-K663 WeakPolarHBondContact O-CB 3.44Å; E659-K663 VanDerWaalsContact O-CG 3.28Å; E659-K663 WeakPolarHBondContact O-CG 3.45Å; E659-K663 PolarHBondContact O-N 3.03Å; Y660-K663 PolarHBondContact O-N 3.31Å; K663-F667 WeakPolarHBondContact O-CB 3.32Å; K663-F667 PolarHBondContact O-N 2.92Å |
| 664 | L | 93.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.7 | -48.7 | 177.3 | 177.1 | 58.5 | 0 | 0 | 0 | 112 | I623 Y626 V630 Y660 R661 Q662 F667 L668 F683 E691 | I623-L664 HydrophobicContact CG2-CD1 3.99Å; Y626-L664 HydrophobicContact CD2-CB 4.41Å; Y626-L664 HydrophobicContact CD2-CD1 4.4Å; V630-L664 HydrophobicContact CG2-CD2 4.41Å; Y660-L664 WeakPolarHBondContact O-CB 3.49Å; Y660-L664 PolarHBondContact O-N 3.37Å; R661-L664 WeakPolarHBondContact O-CB 3.13Å; R661-L664 PolarHBondContact O-N 3.4Å; Q662-L664 VanDerWaalsContact C-N 3.31Å; Q662-L664 PolarHBondContact O-N 2.72Å; L664-F667 PolarHBondContact O-N 3.3Å; L664-L668 HydrophobicContact CD1-CD1 3.98Å; L664-L668 HydrophobicContact CD1-CG 4.09Å; L664-L668 HydrophobicContact CG-CD1 4.13Å; L664-L668 WeakPolarHBondContact O-CB 3.23Å; L664-L668 VanDerWaalsContact O-CG 3.32Å; L664-L668 WeakPolarHBondContact O-CG 3.38Å; L664-L668 PolarHBondContact O-N 2.77Å; L664-F683 HydrophobicContact CD2-CE1 4.28Å; L664-E691 HydrophobicContact CD2-CG 3.98Å; L664-E691 HydrophobicContact CG-CG 4.21Å |
| 665 | L | 91.6 | Very high | 90.2 | Very high | 25 Ų | 25 | 54.3 Ų | 54.3 | 13% | 0.131 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.2 | -50.8 | 178.3 | -74.2 | 166.2 | 0 | 0 | 0 | 111.6 | A650 R661 Q662 F667 L668 E669 E690 E691 L694 | A650-L665 HydrophobicContact CB-CD1 3.83Å; A650-L665 WeakPolarHBondContact O-CD1 3.22Å; R661-L665 HydrophobicContact CG-CD1 4.48Å; R661-L665 WeakPolarHBondContact O-CG 3.46Å; R661-L665 PolarHBondContact O-N 2.63Å; Q662-L665 PolarHBondContact O-N 2.87Å; L665-F667 VanDerWaalsContact C-N 3.28Å; L665-F667 PolarHBondContact O-N 3.4Å; L665-L668 PolarHBondContact O-N 3.36Å; L665-E669 WeakPolarHBondContact O-CB 3.27Å; L665-E669 PolarHBondContact O-N 3.01Å; L665-E690 HydrophobicContact CD2-CB 4.19Å; L665-E691 HydrophobicContact CD2-CG 3.72Å; L665-E691 HydrophobicContact CG-CG 4.26Å; L665-L694 HydrophobicContact CD2-CD1 3.93Å |
| 666 | M | 90.6 | Very high | 90.3 | Very high | 98 Ų | 98 | 52.9 Ų | 52.9 | 48% | 0.483 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.3 | -41.2 | 177.2 | -72.4 | -175.5 | 68 | 0 | 0 | 111.5 | Q662 E669 I670 | Q662-M666 HydrophobicContact CG-CG 4.42Å; Q662-M666 HydrophobicContact CG-SD 4.17Å; Q662-M666 WeakPolarHBondContact O-CB 3.46Å; Q662-M666 WeakPolarHBondContact O-CG 3.23Å; Q662-M666 PolarHBondContact O-N 3.3Å; M666-E669 PolarHBondContact O-N 2.93Å; M666-I670 HydrophobicContact CB-CD1 4.39Å; M666-I670 HydrophobicContact CE-CD1 4.23Å; M666-I670 WeakPolarHBondContact O-CB 3.12Å; M666-I670 VanDerWaalsContact O-CG1 3.24Å; M666-I670 WeakPolarHBondContact O-CG1 3.33Å; M666-I670 PolarHBondContact O-N 3.4Å |
| 667 | F | 93 | Very high | 90.2 | Very high | 13 Ų | 13 | 49.4 Ų | 49.4 | 6% | 0.057 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -69.7 | -40.9 | -178.9 | -166.2 | -102.2 | 0 | 0 | 0 | 112.6 | I608 H619 L622 I623 Y626 K663 L664 L665 E669 S671 | I608-F667 HydrophobicContact CD1-CZ 4.05Å; I608-F667 HydrophobicContact CG2-CE2 3.82Å; I608-F667 HydrophobicContact CG2-CZ 4.1Å; H619-F667 HydrophobicContact CB-CE1 4.23Å; H619-F667 HydrophobicContact CB-CZ 4.28Å; H619-F667 AromaticContact CE1-CZ 3.89Å; H619-F667 AromaticContact CG-CZ 3.96Å; H619-F667 AromaticContact ND1-CE1 3.84Å; H619-F667 AromaticContact ND1-CZ 3.23Å; H619-F667 WeakPolarHBondContact ND1-CZ 3.46Å; L622-F667 HydrophobicContact CD2-CD2 4.32Å; L622-F667 HydrophobicContact CD2-CE1 4.15Å; L622-F667 HydrophobicContact CD2-CE2 3.9Å; L622-F667 HydrophobicContact CD2-CZ 3.8Å; I623-F667 HydrophobicContact CD1-CD1 4.02Å; I623-F667 HydrophobicContact CD1-CE1 4.03Å; I623-F667 HydrophobicContact CG1-CD1 3.6Å; I623-F667 HydrophobicContact CG1-CE1 3.81Å; Y626-F667 HydrophobicContact CE2-CB 4.45Å; K663-F667 WeakPolarHBondContact O-CB 3.32Å; K663-F667 PolarHBondContact O-N 2.92Å; L664-F667 PolarHBondContact O-N 3.3Å; L665-F667 VanDerWaalsContact C-N 3.28Å; L665-F667 PolarHBondContact O-N 3.4Å; F667-E669 PolarHBondContact O-N 2.85Å; F667-S671 VanDerWaalsContact O-CB 3.23Å; F667-S671 WeakPolarHBondContact O-CB 3.24Å; F667-S671 PolarHBondContact O-N 3.32Å |
| 668 | L | 90.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.1 | -34.2 | 173.2 | -74.3 | 173.9 | 0 | 0 | 0 | 112 | I623 L664 L665 Y674 F683 E691 L694 L695 | I623-L668 HydrophobicContact CD1-CD2 3.82Å; I623-L668 HydrophobicContact CG1-CD2 4.2Å; I623-L668 HydrophobicContact CG2-CD2 4.16Å; L664-L668 HydrophobicContact CD1-CD1 3.98Å; L664-L668 HydrophobicContact CD1-CG 4.09Å; L664-L668 HydrophobicContact CG-CD1 4.13Å; L664-L668 WeakPolarHBondContact O-CB 3.23Å; L664-L668 VanDerWaalsContact O-CG 3.32Å; L664-L668 WeakPolarHBondContact O-CG 3.38Å; L664-L668 PolarHBondContact O-N 2.77Å; L665-L668 PolarHBondContact O-N 3.36Å; L668-Y674 HydrophobicContact CD2-CE1 4.33Å; L668-Y674 HydrophobicContact CD2-CE2 4.25Å; L668-Y674 WeakPolarHBondContact O-CE1 3.23Å; L668-Y674 PolarHBondContact O-OH 2.96Å; L668-F683 HydrophobicContact CD1-CZ 4.42Å; L668-E691 HydrophobicContact CD1-CB 3.76Å; L668-E691 HydrophobicContact CD1-CG 4.17Å; L668-L694 HydrophobicContact CB-CB 4.5Å; L668-L694 HydrophobicContact CB-CD1 4.14Å; L668-L695 HydrophobicContact CD2-CD2 3.61Å; L668-L695 HydrophobicContact CD2-CG 4.18Å |
| 669 | E | 88.3 | Confident | 90.2 | Very high | 85 Ų | 85 | 57.4 Ų | 57.4 | 40% | 0.397 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -76.5 | -46.2 | 178 | -175.8 | 166.5 | -155.7 | 0 | 0 | 112.6 | L665 M666 F667 R698 K725 | L665-E669 WeakPolarHBondContact O-CB 3.27Å; L665-E669 PolarHBondContact O-N 3.01Å; M666-E669 PolarHBondContact O-N 2.93Å; F667-E669 PolarHBondContact O-N 2.85Å; E669-R698 PolarHBondContact O-NH2 3.37Å; E669-K725 WeakPolarHBondContact OE1-CE 3.34Å; E669-K725 IonicContact OE1-NZ 3.88Å; E669-K725 PolarHBondContact OE1-NZ 3.36Å; E669-K725 IonicContact OE2-NZ 3.34Å |
| 670 | I | 88.1 | Confident | 90 | Very high | 124 Ų | 124 | 52.8 Ų | 52.8 | 64% | 0.636 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -81.6 | -45 | -172.4 | -65 | 167.4 | 0 | 0 | 0 | 111.6 | M666 | M666-I670 HydrophobicContact CB-CD1 4.39Å; M666-I670 HydrophobicContact CE-CD1 4.23Å; M666-I670 WeakPolarHBondContact O-CB 3.12Å; M666-I670 VanDerWaalsContact O-CG1 3.24Å; M666-I670 WeakPolarHBondContact O-CG1 3.33Å; M666-I670 PolarHBondContact O-N 3.4Å |
| 671 | S | 90.8 | Very high | 89.8 | Confident | 8 Ų | 8 | 56 Ų | 56 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | trans | -70 | 137.7 | -174.8 | 177.7 | 0 | 0 | 0 | 0 | 112 | H619 F667 Y673 Y674 R698 | H619-S671 PolarHBondContact CE1-OG 2.85Å; H619-S671 PolarHBondContact ND1-OG 3.26Å; F667-S671 VanDerWaalsContact O-CB 3.23Å; F667-S671 WeakPolarHBondContact O-CB 3.24Å; F667-S671 PolarHBondContact O-N 3.32Å; S671-Y673 PolarHBondContact OG-N 2.86Å; S671-Y674 WeakPolarHBondContact O-CE1 3.24Å; S671-R698 PolarHBondContact O-NH1 2.99Å; S671-R698 PolarHBondContact O-NH2 3.38Å | ||
| 672 | S | 88.1 | Confident | 89.3 | Confident | 74 Ų | 74 | 58 Ų | 58 | 52% | 0.517 | 30% | 0.297 | S | S | . | . | trans | -109.4 | 0.2 | 173.7 | 57.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 673 | Y | 91.1 | Very high | 89 | Confident | 109 Ų | 109 | 53.1 Ų | 53.1 | 43% | 0.427 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -100.8 | -7.7 | -167 | -62.3 | -73.4 | 0 | 0 | 0 | 114.3 | T614 T616 H619 S671 | T614-Y673 HydrophobicContact CG2-CD1 4.16Å; T614-Y673 HydrophobicContact CG2-CD2 4.36Å; T614-Y673 HydrophobicContact CG2-CE1 3.64Å; T614-Y673 HydrophobicContact CG2-CE2 3.87Å; T614-Y673 HydrophobicContact CG2-CG 4.5Å; T614-Y673 VanDerWaalsContact CG2-CZ 3.48Å; T614-Y673 WeakPolarHBondContact O-CB 3.34Å; T614-Y673 WeakPolarHBondContact O-CD1 3.47Å; T616-Y673 WeakPolarHBondContact CA-O 3.38Å; T616-Y673 WeakPolarHBondContact CB-O 3.3Å; T616-Y673 VanDerWaalsContact CG2-O 3.28Å; T616-Y673 WeakPolarHBondContact CG2-O 3.46Å; T616-Y673 PolarHBondContact OG1-O 3.24Å; H619-Y673 AromaticContact CE1-CD2 3.9Å; S671-Y673 PolarHBondContact OG-N 2.86Å |
| 674 | Y | 91.6 | Very high | 88.4 | Confident | 13 Ų | 13 | 51.2 Ų | 51.2 | 5% | 0.051 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -81 | 159.9 | 176.5 | 65.6 | -97.7 | 0 | 0 | 0 | 112.8 | N620 I623 L668 S671 P676 L679 L695 R698 | N620-Y674 VanDerWaalsContact OD1-CA 3.24Å; N620-Y674 WeakPolarHBondContact OD1-CA 3.31Å; N620-Y674 VanDerWaalsContact OD1-CB 3.23Å; N620-Y674 WeakPolarHBondContact OD1-CB 3.35Å; I623-Y674 HydrophobicContact CD1-CD1 3.73Å; I623-Y674 HydrophobicContact CD1-CD2 4.11Å; I623-Y674 HydrophobicContact CD1-CE1 4.36Å; I623-Y674 HydrophobicContact CD1-CG 3.57Å; L668-Y674 HydrophobicContact CD2-CE1 4.33Å; L668-Y674 HydrophobicContact CD2-CE2 4.25Å; L668-Y674 WeakPolarHBondContact O-CE1 3.23Å; L668-Y674 PolarHBondContact O-OH 2.96Å; S671-Y674 WeakPolarHBondContact O-CE1 3.24Å; Y674-P676 HydrophobicContact CD2-CB 4.48Å; Y674-P676 HydrophobicContact CD2-CG 4Å; Y674-P676 HydrophobicContact CE2-CB 4.14Å; Y674-P676 HydrophobicContact CE2-CG 3.72Å; Y674-P676 WeakPolarHBondContact O-CD 3.28Å; Y674-L679 HydrophobicContact CD2-CD1 3.81Å; Y674-L679 HydrophobicContact CG-CD1 4.23Å; Y674-L695 HydrophobicContact CD2-CD2 4.22Å; Y674-L695 HydrophobicContact CE2-CD2 3.5Å; Y674-L695 VanDerWaalsContact CE2-CD2 3.5Å; Y674-R698 WeakPolarHBondContact OH-CG 3.37Å |
| 675 | D | 90.9 | Very high | 87.5 | Confident | 54 Ų | 54 | 54.8 Ų | 54.8 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | trans | -100.8 | 101.7 | 174.8 | -179.9 | -3 | 0 | 0 | 0 | 110.1 | T616 N620 G677 R678 L679 | T616-D675 HydrophobicContact CG2-CB 3.92Å; N620-D675 PolarHBondContact OD1-N 3.35Å; D675-G677 PolarHBondContact O-N 2.98Å; D675-G677 PolarHBondContact OD1-N 3.5Å; D675-R678 HydrophobicContact CB-CG 4.49Å; D675-R678 PolarHBondContact O-N 3.5Å; D675-R678 VanDerWaalsContact OD2-CD 3.26Å; D675-R678 WeakPolarHBondContact OD2-CD 3.44Å; D675-R678 VanDerWaalsContact OD2-CG 3.27Å; D675-R678 WeakPolarHBondContact OD2-CG 3.15Å; D675-R678 IonicContact OD2-NE 3.86Å; D675-R678 PolarHBondContact OD2-NE 3.28Å; D675-L679 WeakPolarHBondContact O-CG 3.41Å; D675-L679 PolarHBondContact O-N 2.81Å | ||
| 676 | P | 87.8 | Confident | 86.4 | Confident | 21 Ų | 21 | 58.5 Ų | 58.5 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.4 | -29.6 | -176.6 | -16.1 | 27.4 | 0 | 0 | 0 | 113 | Y674 R678 L679 I680 L695 R698 M699 | Y674-P676 HydrophobicContact CD2-CB 4.48Å; Y674-P676 HydrophobicContact CD2-CG 4Å; Y674-P676 HydrophobicContact CE2-CB 4.14Å; Y674-P676 HydrophobicContact CE2-CG 3.72Å; Y674-P676 WeakPolarHBondContact O-CD 3.28Å; P676-R678 VanDerWaalsContact C-N 3.32Å; P676-R678 PolarHBondContact O-N 2.86Å; P676-L679 PolarHBondContact O-N 3.27Å; P676-I680 PolarHBondContact O-N 3.48Å; P676-L695 HydrophobicContact CB-CD2 4.12Å; P676-R698 HydrophobicContact CB-CB 4.41Å; P676-R698 HydrophobicContact CG-CB 3.83Å; P676-M699 HydrophobicContact CB-CG 3.56Å; P676-M699 HydrophobicContact CB-SD 4.3Å; P676-M699 HydrophobicContact CG-CG 4.33Å |
| 677 | G | 86.2 | Confident | 85.8 | Confident | 34 Ų | 34 | 55 Ų | 55 | 35% | 0.351 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -69.4 | -29.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D675 I680 | D675-G677 PolarHBondContact O-N 2.98Å; D675-G677 PolarHBondContact OD1-N 3.5Å; G677-I680 WeakPolarHBondContact O-CG2 3.19Å |
| 678 | R | 87.5 | Confident | 85.4 | Confident | 181 Ų | 181 | 54.8 Ų | 54.8 | 68% | 0.683 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -78.2 | -40.5 | 173.2 | -70.5 | 178.5 | -167.1 | -152.8 | -3.2 | 112 | D675 P676 | D675-R678 HydrophobicContact CB-CG 4.49Å; D675-R678 PolarHBondContact O-N 3.5Å; D675-R678 VanDerWaalsContact OD2-CD 3.26Å; D675-R678 WeakPolarHBondContact OD2-CD 3.44Å; D675-R678 VanDerWaalsContact OD2-CG 3.27Å; D675-R678 WeakPolarHBondContact OD2-CG 3.15Å; D675-R678 IonicContact OD2-NE 3.86Å; D675-R678 PolarHBondContact OD2-NE 3.28Å; P676-R678 VanDerWaalsContact C-N 3.32Å; P676-R678 PolarHBondContact O-N 2.86Å |
| 679 | L | 88.5 | Confident | 85 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -75.4 | -29.5 | -172.7 | -67 | 170.2 | 0 | 0 | 0 | 113.1 | N620 I623 Q624 Y674 D675 P676 C681 D682 F683 L695 | N620-L679 HydrophobicContact CB-CD2 4.1Å; I623-L679 HydrophobicContact CB-CD1 4.22Å; I623-L679 HydrophobicContact CB-CD2 4.4Å; I623-L679 HydrophobicContact CD1-CD1 3.62Å; I623-L679 HydrophobicContact CG2-CD1 4.01Å; I623-L679 HydrophobicContact CG2-CD2 4.18Å; Q624-L679 HydrophobicContact CG-CD2 3.74Å; Y674-L679 HydrophobicContact CD2-CD1 3.81Å; Y674-L679 HydrophobicContact CG-CD1 4.23Å; D675-L679 WeakPolarHBondContact O-CG 3.41Å; D675-L679 PolarHBondContact O-N 2.81Å; P676-L679 PolarHBondContact O-N 3.27Å; L679-C681 PolarHBondContact O-N 3.37Å; L679-D682 WeakPolarHBondContact O-CB 3.41Å; L679-D682 PolarHBondContact O-N 3.09Å; L679-F683 HydrophobicContact CB-CE2 4.42Å; L679-F683 VanDerWaalsContact O-CD2 3.27Å; L679-F683 WeakPolarHBondContact O-CD2 3.49Å; L679-L695 HydrophobicContact CB-CD1 4.32Å |
| 680 | I | 85.4 | Confident | 85 | Confident | 21 Ų | 21 | 54 Ų | 54 | 11% | 0.108 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -22.6 | -175.4 | -164.3 | 62.5 | 0 | 0 | 0 | 114.6 | P676 G677 R692 L695 L696 M699 | P676-I680 PolarHBondContact O-N 3.48Å; G677-I680 WeakPolarHBondContact O-CG2 3.19Å; I680-R692 HydrophobicContact CD1-CG 3.82Å; I680-R692 PolarHBondContact O-NH1 2.99Å; I680-L695 HydrophobicContact CD1-CB 4.02Å; I680-L695 HydrophobicContact CD1-CD1 4.24Å; I680-L696 HydrophobicContact CD1-CD2 4.18Å; I680-L696 HydrophobicContact CD1-CG 4.14Å; I680-M699 HydrophobicContact CB-SD 4.5Å |
| 681 | C | 84.6 | Confident | 85.1 | Confident | 108 Ų | 108 | 48 Ų | 48 | 73% | 0.73 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -25.6 | 176.2 | -65.2 | 0 | 0 | 0 | 0 | 113 | L679 F683 | L679-C681 PolarHBondContact O-N 3.37Å; C681-F683 VanDerWaalsContact C-N 3.27Å |
| 682 | D | 82.9 | Confident | 85 | Confident | 63 Ų | 63 | 48.5 Ų | 48.5 | 34% | 0.337 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -14.1 | -179.8 | -58.7 | -32.9 | 0 | 0 | 0 | 111.7 | Q624 Q631 L679 | Q624-D682 WeakPolarHBondContact CG-OD2 3.23Å; Q624-D682 PolarHBondContact NE2-OD2 2.91Å; Q631-D682 PolarHBondContact NE2-O 3.41Å; L679-D682 WeakPolarHBondContact O-CB 3.41Å; L679-D682 PolarHBondContact O-N 3.09Å |
| 683 | F | 85.4 | Confident | 85 | Confident | 3 Ų | 3 | 45 Ų | 45 | 1% | 0.013 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -100 | 121.1 | -179.5 | -68.5 | -98.8 | 0 | 0 | 0 | 111.2 | I623 C627 L664 L668 L679 C681 L688 E691 R692 L695 | I623-F683 HydrophobicContact CG2-CE2 4.14Å; I623-F683 HydrophobicContact CG2-CZ 3.91Å; C627-F683 HydrophobicContact CB-CE1 4.46Å; C627-F683 HydrophobicContact CB-CZ 4.16Å; L664-F683 HydrophobicContact CD2-CE1 4.28Å; L668-F683 HydrophobicContact CD1-CZ 4.42Å; L679-F683 HydrophobicContact CB-CE2 4.42Å; L679-F683 VanDerWaalsContact O-CD2 3.27Å; L679-F683 WeakPolarHBondContact O-CD2 3.49Å; C681-F683 VanDerWaalsContact C-N 3.27Å; F683-L688 HydrophobicContact CD1-CB 4.03Å; F683-L688 HydrophobicContact CD1-CD1 4.14Å; F683-L688 HydrophobicContact CE1-CD1 4.4Å; F683-E691 HydrophobicContact CD1-CB 3.88Å; F683-E691 HydrophobicContact CE1-CB 3.56Å; F683-E691 HydrophobicContact CE1-CG 4.31Å; F683-R692 HydrophobicContact CB-CB 4.49Å; F683-R692 PolarHBondContact O-NH1 3.14Å; F683-L695 HydrophobicContact CD2-CD1 3.42Å; F683-L695 VanDerWaalsContact CD2-CD1 3.42Å; F683-L695 HydrophobicContact CE2-CD1 3.43Å; F683-L695 VanDerWaalsContact CE2-CD1 3.43Å; F683-L695 HydrophobicContact CG-CD1 4.04Å; F683-L695 HydrophobicContact CZ-CD1 4.03Å |
| 684 | P | 80.3 | Confident | 84.9 | Confident | 41 Ų | 41 | 41 Ų | 41 | 27% | 0.266 | 22% | 0.223 | S | C | . | . | trans | -65.4 | 160.8 | -177.9 | 24.2 | -29.9 | 0 | 0 | 0 | 112.7 | D686 G687 | P684-D686 VanDerWaalsContact C-N 3.34Å; P684-D686 WeakPolarHBondContact CB-OD1 3.45Å; P684-G687 VanDerWaalsContact O-O 3.08Å | ||
| 685 | F | 73.1 | Confident | 84.8 | Confident | 75 Ų | 75 | 40.4 Ų | 40.4 | 33% | 0.329 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -82.3 | -15.3 | 177.1 | -66 | -87.3 | 0 | 0 | 0 | 112.8 | L754 P756 I757 | F685-L754 WeakPolarHBondContact CD1-O 3.18Å; F685-L754 WeakPolarHBondContact CE1-O 3.47Å; F685-P756 HydrophobicContact CD2-CG 4.5Å; F685-P756 HydrophobicContact CE2-CG 4.33Å; F685-I757 HydrophobicContact CB-CG1 4.46Å |
| 686 | D | 69.8 | Low | 84.6 | Confident | 102 Ų | 102 | 38 Ų | 38 | 55% | 0.545 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -117.2 | 8.7 | -175.5 | 55.7 | -16.6 | 0 | 0 | 0 | 113.2 | P684 | P684-D686 VanDerWaalsContact C-N 3.34Å; P684-D686 WeakPolarHBondContact CB-OD1 3.45Å |
| 687 | G | 77 | Confident | 84.6 | Confident | 24 Ų | 24 | 37.1 Ų | 37.1 | 25% | 0.247 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -154.7 | 162.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | P684 L689 | P684-G687 VanDerWaalsContact O-O 3.08Å; G687-L689 VanDerWaalsContact C-N 3.3Å; G687-L689 PolarHBondContact O-N 3.37Å |
| 688 | L | 84.3 | Confident | 84.6 | Confident | 10 Ų | 10 | 40.1 Ų | 40.1 | 5% | 0.052 | 20% | 0.203 | C | C | . | . | trans | 53.5 | 45.2 | -178.7 | -56.4 | 173.5 | 0 | 0 | 0 | 113.3 | V630 Q631 F683 E690 E691 R692 | V630-L688 HydrophobicContact CG1-CD2 3.67Å; Q631-L688 HydrophobicContact CG-CD1 3.7Å; F683-L688 HydrophobicContact CD1-CB 4.03Å; F683-L688 HydrophobicContact CD1-CD1 4.14Å; F683-L688 HydrophobicContact CE1-CD1 4.4Å; L688-E690 PolarHBondContact O-N 2.69Å; L688-E691 WeakPolarHBondContact CA-OE2 3.42Å; L688-E691 HydrophobicContact CB-CB 4.32Å; L688-E691 HydrophobicContact CB-CG 4.45Å; L688-E691 WeakPolarHBondContact CB-OE2 3.29Å; L688-E691 WeakPolarHBondContact CD2-OE1 3.45Å; L688-E691 PolarHBondContact O-N 3.28Å; L688-R692 WeakPolarHBondContact O-CB 3.33Å; L688-R692 PolarHBondContact O-N 2.98Å | ||
| 689 | L | 84.1 | Confident | 84.5 | Confident | 28 Ų | 28 | 34.6 Ų | 34.6 | 15% | 0.147 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.7 | -35.9 | -171.2 | -65.9 | 172.1 | 0 | 0 | 0 | 112.9 | G687 R692 A693 I708 I712 L713 | G687-L689 VanDerWaalsContact C-N 3.3Å; G687-L689 PolarHBondContact O-N 3.37Å; L689-R692 PolarHBondContact O-N 2.86Å; L689-A693 WeakPolarHBondContact O-CB 3.33Å; L689-A693 PolarHBondContact O-N 2.7Å; L689-I708 HydrophobicContact CB-CG2 3.95Å; L689-I712 HydrophobicContact CD1-CG2 3.58Å; L689-L713 HydrophobicContact CB-CD2 4.43Å; L689-L713 HydrophobicContact CD1-CD2 4.36Å |
| 690 | E | 87.4 | Confident | 84.4 | Confident | 40 Ų | 40 | 36.4 Ų | 36.4 | 19% | 0.187 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68 | -46.6 | 177.6 | -69.9 | -177.8 | -135.8 | 0 | 0 | 111.1 | A650 L665 L688 R692 A693 L694 L713 | A650-E690 HydrophobicContact CB-CB 4.45Å; A650-E690 VanDerWaalsContact CB-CD 3.46Å; A650-E690 HydrophobicContact CB-CG 4.37Å; A650-E690 VanDerWaalsContact CB-OE1 3.3Å; A650-E690 WeakPolarHBondContact CB-OE1 3.34Å; L665-E690 HydrophobicContact CD2-CB 4.19Å; L688-E690 PolarHBondContact O-N 2.69Å; E690-R692 VanDerWaalsContact C-N 3.29Å; E690-R692 PolarHBondContact O-N 3.17Å; E690-A693 WeakPolarHBondContact O-CB 3.44Å; E690-A693 PolarHBondContact O-N 3.22Å; E690-A693 VanDerWaalsContact O-N 3.09Å; E690-L694 WeakPolarHBondContact O-CG 3.38Å; E690-L694 PolarHBondContact O-N 2.92Å; E690-L713 HydrophobicContact CG-CD1 3.59Å |
| 691 | E | 90.6 | Very high | 84.5 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.7 | -42.8 | 175.1 | -60.1 | 83.5 | 164 | 0 | 0 | 110.9 | R661 L664 L665 L668 F683 L688 L694 L695 | R661-E691 WeakPolarHBondContact CG-OE1 3.32Å; R661-E691 IonicContact CZ-OE1 2.92Å; R661-E691 IonicContact NE-OE1 2.71Å; R661-E691 PolarHBondContact NE-OE1 3.32Å; R661-E691 IonicContact NH2-OE1 3.76Å; R661-E691 PolarHBondContact NH2-OE1 3.31Å; R661-E691 IonicContact NH2-OE2 3.89Å; R661-E691 PolarHBondContact NH2-OE2 2.77Å; L664-E691 HydrophobicContact CD2-CG 3.98Å; L664-E691 HydrophobicContact CG-CG 4.21Å; L665-E691 HydrophobicContact CD2-CG 3.72Å; L665-E691 HydrophobicContact CG-CG 4.26Å; L668-E691 HydrophobicContact CD1-CB 3.76Å; L668-E691 HydrophobicContact CD1-CG 4.17Å; F683-E691 HydrophobicContact CD1-CB 3.88Å; F683-E691 HydrophobicContact CE1-CB 3.56Å; F683-E691 HydrophobicContact CE1-CG 4.31Å; L688-E691 WeakPolarHBondContact CA-OE2 3.42Å; L688-E691 HydrophobicContact CB-CB 4.32Å; L688-E691 HydrophobicContact CB-CG 4.45Å; L688-E691 WeakPolarHBondContact CB-OE2 3.29Å; L688-E691 WeakPolarHBondContact CD2-OE1 3.45Å; L688-E691 PolarHBondContact O-N 3.28Å; E691-L694 PolarHBondContact O-N 2.97Å; E691-L695 PolarHBondContact O-N 2.65Å; E691-L695 VanDerWaalsContact O-N 3.14Å |
| 692 | R | 88.6 | Confident | 84.6 | Confident | 17 Ų | 17 | 35 Ų | 35 | 6% | 0.064 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.5 | -40.4 | 174.6 | -172.6 | 177.3 | 179.9 | 76.3 | 9.7 | 112.1 | I680 F683 L688 L689 E690 L695 L696 I708 | I680-R692 HydrophobicContact CD1-CG 3.82Å; I680-R692 PolarHBondContact O-NH1 2.99Å; F683-R692 HydrophobicContact CB-CB 4.49Å; F683-R692 PolarHBondContact O-NH1 3.14Å; L688-R692 WeakPolarHBondContact O-CB 3.33Å; L688-R692 PolarHBondContact O-N 2.98Å; L689-R692 PolarHBondContact O-N 2.86Å; E690-R692 VanDerWaalsContact C-N 3.29Å; E690-R692 PolarHBondContact O-N 3.17Å; R692-L695 PolarHBondContact O-N 2.89Å; R692-L696 HydrophobicContact CG-CD1 4.22Å; R692-L696 VanDerWaalsContact O-CG 3.31Å; R692-L696 WeakPolarHBondContact O-CG 3.27Å; R692-L696 PolarHBondContact O-N 3.05Å; R692-I708 HydrophobicContact CG-CD1 4.37Å |
| 693 | A | 87.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.6 | -39.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | L689 E690 L696 G697 A705 I708 Y709 | L689-A693 WeakPolarHBondContact O-CB 3.33Å; L689-A693 PolarHBondContact O-N 2.7Å; E690-A693 WeakPolarHBondContact O-CB 3.44Å; E690-A693 PolarHBondContact O-N 3.22Å; E690-A693 VanDerWaalsContact O-N 3.09Å; A693-L696 PolarHBondContact O-N 3.36Å; A693-G697 PolarHBondContact O-N 3.06Å; A693-A705 HydrophobicContact CB-CB 4.45Å; A693-A705 WeakPolarHBondContact O-CB 3.15Å; A693-I708 HydrophobicContact CB-CB 4.19Å; A693-I708 HydrophobicContact CB-CD1 3.98Å; A693-I708 HydrophobicContact CB-CG2 4.16Å; A693-Y709 HydrophobicContact CB-CD2 4.35Å; A693-Y709 HydrophobicContact CB-CE1 4.38Å; A693-Y709 HydrophobicContact CB-CE2 3.66Å |
| 694 | L | 89.3 | Confident | 84.8 | Confident | 27 Ų | 27 | 38.7 Ų | 38.7 | 14% | 0.141 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61 | -45.7 | 173.8 | -68.5 | 172.9 | 0 | 0 | 0 | 111.9 | L665 L668 E690 E691 G697 R698 | L665-L694 HydrophobicContact CD2-CD1 3.93Å; L668-L694 HydrophobicContact CB-CB 4.5Å; L668-L694 HydrophobicContact CB-CD1 4.14Å; E690-L694 WeakPolarHBondContact O-CG 3.38Å; E690-L694 PolarHBondContact O-N 2.92Å; E691-L694 PolarHBondContact O-N 2.97Å; L694-G697 PolarHBondContact O-N 3.06Å; L694-R698 WeakPolarHBondContact O-CG 3.45Å; L694-R698 PolarHBondContact O-N 3.05Å |
| 695 | L | 89.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.7 | -46.2 | 175.7 | -71.3 | 178.2 | 0 | 0 | 0 | 112.1 | L668 Y674 P676 L679 I680 F683 E691 R692 G697 R698 M699 | L668-L695 HydrophobicContact CD2-CD2 3.61Å; L668-L695 HydrophobicContact CD2-CG 4.18Å; Y674-L695 HydrophobicContact CD2-CD2 4.22Å; Y674-L695 HydrophobicContact CE2-CD2 3.5Å; Y674-L695 VanDerWaalsContact CE2-CD2 3.5Å; P676-L695 HydrophobicContact CB-CD2 4.12Å; L679-L695 HydrophobicContact CB-CD1 4.32Å; I680-L695 HydrophobicContact CD1-CB 4.02Å; I680-L695 HydrophobicContact CD1-CD1 4.24Å; F683-L695 HydrophobicContact CD2-CD1 3.42Å; F683-L695 VanDerWaalsContact CD2-CD1 3.42Å; F683-L695 HydrophobicContact CE2-CD1 3.43Å; F683-L695 VanDerWaalsContact CE2-CD1 3.43Å; F683-L695 HydrophobicContact CG-CD1 4.04Å; F683-L695 HydrophobicContact CZ-CD1 4.03Å; E691-L695 PolarHBondContact O-N 2.65Å; E691-L695 VanDerWaalsContact O-N 3.14Å; R692-L695 PolarHBondContact O-N 2.89Å; L695-G697 VanDerWaalsContact C-N 3.3Å; L695-G697 PolarHBondContact O-N 3.36Å; L695-R698 PolarHBondContact O-N 3.41Å; L695-M699 WeakPolarHBondContact O-CG 3.26Å; L695-M699 PolarHBondContact O-N 3.44Å |
| 696 | L | 87.4 | Confident | 85.9 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.6 | -38.7 | 177.9 | -72.7 | 169.2 | 0 | 0 | 0 | 112.1 | I680 R692 A693 M699 G700 K701 Q704 A705 I708 L754 | I680-L696 HydrophobicContact CD1-CD2 4.18Å; I680-L696 HydrophobicContact CD1-CG 4.14Å; R692-L696 HydrophobicContact CG-CD1 4.22Å; R692-L696 VanDerWaalsContact O-CG 3.31Å; R692-L696 WeakPolarHBondContact O-CG 3.27Å; R692-L696 PolarHBondContact O-N 3.05Å; A693-L696 PolarHBondContact O-N 3.36Å; L696-M699 PolarHBondContact O-N 3.02Å; L696-G700 PolarHBondContact O-N 3Å; L696-K701 HydrophobicContact CB-CB 4.41Å; L696-K701 HydrophobicContact CD2-CB 4.15Å; L696-K701 HydrophobicContact CD2-CD 3.87Å; L696-K701 PolarHBondContact O-N 3.06Å; L696-Q704 HydrophobicContact CD1-CB 3.92Å; L696-Q704 HydrophobicContact CD2-CB 4.36Å; L696-A705 HydrophobicContact CB-CB 4.02Å; L696-I708 HydrophobicContact CD1-CD1 3.72Å; L696-L754 HydrophobicContact CD1-CD2 4.21Å |
| 697 | G | 86.5 | Confident | 86.7 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65 | -38.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A693 L694 L695 M699 G700 Y722 | A693-G697 PolarHBondContact O-N 3.06Å; L694-G697 PolarHBondContact O-N 3.06Å; L695-G697 VanDerWaalsContact C-N 3.3Å; L695-G697 PolarHBondContact O-N 3.36Å; G697-M699 VanDerWaalsContact C-N 3.3Å; G697-M699 PolarHBondContact O-N 3.23Å; G697-G700 PolarHBondContact O-N 3.25Å; G697-G700 VanDerWaalsContact O-N 3.1Å; G697-Y722 WeakPolarHBondContact CA-OH 3.39Å |
| 698 | R | 86.6 | Confident | 87.1 | Confident | 97 Ų | 97 | 27.2 Ų | 27.2 | 37% | 0.366 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -65.8 | -30.8 | 173.2 | -72.3 | -96.5 | -175.2 | 171 | 2.7 | 113 | E669 S671 Y674 P676 L694 L695 G700 | E669-R698 PolarHBondContact O-NH2 3.37Å; S671-R698 PolarHBondContact O-NH1 2.99Å; S671-R698 PolarHBondContact O-NH2 3.38Å; Y674-R698 WeakPolarHBondContact OH-CG 3.37Å; P676-R698 HydrophobicContact CB-CB 4.41Å; P676-R698 HydrophobicContact CG-CB 3.83Å; L694-R698 WeakPolarHBondContact O-CG 3.45Å; L694-R698 PolarHBondContact O-N 3.05Å; L695-R698 PolarHBondContact O-N 3.41Å; R698-G700 PolarHBondContact O-N 3.41Å |
| 699 | M | 86.7 | Confident | 87.2 | Confident | 65 Ų | 65 | 27.1 Ų | 27.1 | 32% | 0.32 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -4 | 172.8 | -63.8 | 178 | 77.3 | 0 | 0 | 113.9 | P676 I680 L695 L696 G697 K701 | P676-M699 HydrophobicContact CB-CG 3.56Å; P676-M699 HydrophobicContact CB-SD 4.3Å; P676-M699 HydrophobicContact CG-CG 4.33Å; I680-M699 HydrophobicContact CB-SD 4.5Å; L695-M699 WeakPolarHBondContact O-CG 3.26Å; L695-M699 PolarHBondContact O-N 3.44Å; L696-M699 PolarHBondContact O-N 3.02Å; G697-M699 VanDerWaalsContact C-N 3.3Å; G697-M699 PolarHBondContact O-N 3.23Å; M699-K701 HydrophobicContact CB-CD 4.46Å; M699-K701 HydrophobicContact CB-CG 4.17Å; M699-K701 HydrophobicContact CE-CD 4.48Å; M699-K701 PolarHBondContact O-N 3.07Å |
| 700 | G | 84.9 | Confident | 87.3 | Confident | 39 Ų | 39 | 26.6 Ų | 26.6 | 40% | 0.402 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114 | L696 G697 R698 H702 | L696-G700 PolarHBondContact O-N 3Å; G697-G700 PolarHBondContact O-N 3.25Å; G697-G700 VanDerWaalsContact O-N 3.1Å; R698-G700 PolarHBondContact O-N 3.41Å; G700-H702 PolarHBondContact O-CD2 3.21Å; G700-H702 PolarHBondContact O-N 3.45Å |
| 701 | K | 87.6 | Confident | 87.1 | Confident | 92 Ų | 92 | 26 Ų | 26 | 40% | 0.4 | 13% | 0.129 | S | C | . | . | trans | -83.2 | 57.5 | 177.1 | -65.3 | -176.1 | 176.9 | 179 | 0 | 110.5 | L696 M699 E703 Q704 A705 | L696-K701 HydrophobicContact CB-CB 4.41Å; L696-K701 HydrophobicContact CD2-CB 4.15Å; L696-K701 HydrophobicContact CD2-CD 3.87Å; L696-K701 PolarHBondContact O-N 3.06Å; M699-K701 HydrophobicContact CB-CD 4.46Å; M699-K701 HydrophobicContact CB-CG 4.17Å; M699-K701 HydrophobicContact CE-CD 4.48Å; M699-K701 PolarHBondContact O-N 3.07Å; K701-E703 VanDerWaalsContact C-N 3.33Å; K701-E703 PolarHBondContact O-N 2.86Å; K701-Q704 HydrophobicContact CB-CB 4.41Å; K701-Q704 PolarHBondContact O-N 3.01Å; K701-Q704 VanDerWaalsContact O-N 3.13Å; K701-A705 PolarHBondContact O-N 3.45Å | ||
| 702 | H | 88.1 | Confident | 86.6 | Confident | 8 Ų | 8 | 27.3 Ų | 27.3 | 4% | 0.037 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.9 | -35.2 | -170.5 | -56.5 | -62.9 | 0 | 0 | 0 | 113.6 | G700 Q704 A705 L706 Y722 N734 V737 | G700-H702 PolarHBondContact O-CD2 3.21Å; G700-H702 PolarHBondContact O-N 3.45Å; H702-Q704 VanDerWaalsContact C-N 3.3Å; H702-Q704 PolarHBondContact O-N 3.22Å; H702-A705 PolarHBondContact O-N 2.95Å; H702-L706 VanDerWaalsContact O-CB 3.3Å; H702-L706 WeakPolarHBondContact O-CB 3.35Å; H702-L706 VanDerWaalsContact O-CG 3.26Å; H702-L706 WeakPolarHBondContact O-CG 3.44Å; H702-L706 PolarHBondContact O-N 3.44Å; H702-Y722 HydrophobicContact CB-CE1 4.47Å; H702-Y722 AromaticContact ND1-CZ 3.77Å; H702-Y722 PolarHBondContact ND1-OH 3.37Å; H702-N734 PolarHBondContact NE2-OD1 2.89Å; H702-N734 VanDerWaalsContact NE2-OD1 3.12Å; H702-V737 HydrophobicContact CB-CG2 4.33Å |
| 703 | E | 85.2 | Confident | 86.3 | Confident | 86 Ų | 86 | 29.4 Ų | 29.4 | 40% | 0.402 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -61 | -39.1 | 176.3 | -67.1 | -173.2 | 163.2 | 0 | 0 | 111.9 | K701 F707 R743 M744 | K701-E703 VanDerWaalsContact C-N 3.33Å; K701-E703 PolarHBondContact O-N 2.86Å; E703-F707 WeakPolarHBondContact O-CB 3.25Å; E703-F707 PolarHBondContact O-N 3.27Å; E703-R743 IonicContact OE1-NH1 2.78Å; E703-R743 PolarHBondContact OE1-NH1 2.63Å; E703-M744 HydrophobicContact CB-CE 4.19Å; E703-M744 HydrophobicContact CG-CE 4.19Å |
| 704 | Q | 86.3 | Confident | 86.1 | Confident | 56 Ų | 56 | 36.4 Ų | 36.4 | 26% | 0.262 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -72 | -42.2 | 178.4 | -65.5 | -178.8 | 4.8 | 0 | 0 | 111.8 | L696 K701 H702 F707 I708 C753 L754 | L696-Q704 HydrophobicContact CD1-CB 3.92Å; L696-Q704 HydrophobicContact CD2-CB 4.36Å; K701-Q704 HydrophobicContact CB-CB 4.41Å; K701-Q704 PolarHBondContact O-N 3.01Å; K701-Q704 VanDerWaalsContact O-N 3.13Å; H702-Q704 VanDerWaalsContact C-N 3.3Å; H702-Q704 PolarHBondContact O-N 3.22Å; Q704-F707 WeakPolarHBondContact O-CB 3.44Å; Q704-F707 PolarHBondContact O-N 3.36Å; Q704-I708 PolarHBondContact O-N 3.17Å; Q704-C753 PolarHBondContact NE2-O 3.11Å; Q704-L754 HydrophobicContact CB-CD2 3.86Å; Q704-L754 HydrophobicContact CG-CD2 4.4Å |
| 705 | A | 88.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.5 | -44.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A693 L696 K701 H702 F707 I708 Y709 Y722 | A693-A705 HydrophobicContact CB-CB 4.45Å; A693-A705 WeakPolarHBondContact O-CB 3.15Å; L696-A705 HydrophobicContact CB-CB 4.02Å; K701-A705 PolarHBondContact O-N 3.45Å; H702-A705 PolarHBondContact O-N 2.95Å; A705-F707 VanDerWaalsContact C-N 3.32Å; A705-F707 PolarHBondContact O-N 3.07Å; A705-I708 WeakPolarHBondContact O-CB 3.27Å; A705-I708 PolarHBondContact O-N 3.3Å; A705-Y709 VanDerWaalsContact O-CD2 3.25Å; A705-Y709 WeakPolarHBondContact O-CD2 3.44Å; A705-Y709 PolarHBondContact O-N 3.07Å; A705-Y722 HydrophobicContact CB-CE1 4.31Å; A705-Y722 HydrophobicContact CB-CE2 3.98Å; A705-Y722 WeakPolarHBondContact CB-OH 3.31Å |
| 706 | L | 87.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.7 | -33.1 | 177.3 | -72.5 | 172.9 | 0 | 0 | 0 | 112.5 | H702 I708 Y709 V710 A719 Y722 L741 M744 | H702-L706 VanDerWaalsContact O-CB 3.3Å; H702-L706 WeakPolarHBondContact O-CB 3.35Å; H702-L706 VanDerWaalsContact O-CG 3.26Å; H702-L706 WeakPolarHBondContact O-CG 3.44Å; H702-L706 PolarHBondContact O-N 3.44Å; L706-I708 VanDerWaalsContact C-N 3.28Å; L706-I708 PolarHBondContact O-N 3.33Å; L706-Y709 PolarHBondContact O-N 3.18Å; L706-V710 VanDerWaalsContact O-CB 3.32Å; L706-V710 WeakPolarHBondContact O-CB 3.36Å; L706-V710 WeakPolarHBondContact O-CG2 3.45Å; L706-V710 PolarHBondContact O-N 3.46Å; L706-A719 HydrophobicContact CD2-CB 4.32Å; L706-Y722 HydrophobicContact CD1-CE1 4.48Å; L706-Y722 HydrophobicContact CD2-CD1 3.48Å; L706-Y722 VanDerWaalsContact CD2-CD1 3.48Å; L706-Y722 HydrophobicContact CD2-CE1 3.9Å; L706-Y722 HydrophobicContact CD2-CG 4.44Å; L706-Y722 HydrophobicContact CG-CD1 3.98Å; L706-Y722 HydrophobicContact CG-CE1 3.84Å; L706-L741 HydrophobicContact CD1-CB 4.02Å; L706-L741 HydrophobicContact CD2-CD1 4.02Å; L706-M744 HydrophobicContact CB-CG 3.8Å |
| 707 | F | 86.8 | Confident | 85.3 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.8 | -41 | 172.2 | -171.3 | -82.8 | 0 | 0 | 0 | 111.7 | E703 Q704 A705 H711 I712 M744 P749 I751 L754 P764 | E703-F707 WeakPolarHBondContact O-CB 3.25Å; E703-F707 PolarHBondContact O-N 3.27Å; Q704-F707 WeakPolarHBondContact O-CB 3.44Å; Q704-F707 PolarHBondContact O-N 3.36Å; A705-F707 VanDerWaalsContact C-N 3.32Å; A705-F707 PolarHBondContact O-N 3.07Å; F707-H711 HydrophobicContact CD1-CB 4.39Å; F707-H711 HydrophobicContact CD2-CB 4.43Å; F707-H711 AromaticContact CD2-CD2 3.6Å; F707-H711 HydrophobicContact CE1-CB 4.2Å; F707-H711 HydrophobicContact CE2-CB 4.21Å; F707-H711 AromaticContact CE2-CD2 3.78Å; F707-H711 HydrophobicContact CZ-CB 4.1Å; F707-H711 WeakPolarHBondContact O-CB 3.02Å; F707-H711 PolarHBondContact O-N 3.36Å; F707-I712 HydrophobicContact CD1-CD1 4.22Å; F707-I712 HydrophobicContact CD1-CG1 4.22Å; F707-I712 HydrophobicContact CE1-CD1 4.22Å; F707-I712 HydrophobicContact CE1-CG1 4.1Å; F707-I712 PolarHBondContact O-N 3.04Å; F707-M744 HydrophobicContact CB-SD 4.4Å; F707-P749 HydrophobicContact CD2-CG 3.8Å; F707-P749 HydrophobicContact CE2-CG 4.26Å; F707-P749 WeakPolarHBondContact CE2-O 3.45Å; F707-I751 HydrophobicContact CZ-CB 4.41Å; F707-I751 HydrophobicContact CZ-CG1 4.14Å; F707-L754 HydrophobicContact CD1-CD1 3.37Å; F707-L754 HydrophobicContact CD1-CG 4.04Å; F707-L754 HydrophobicContact CE1-CD1 3.84Å; F707-L754 HydrophobicContact CG-CD1 4.36Å; F707-P764 HydrophobicContact CE2-CG 4.31Å |
| 708 | I | 85.6 | Confident | 85.3 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -61.9 | -51.3 | 176.3 | -63.3 | 169.6 | 0 | 0 | 0 | 110.4 | L689 R692 A693 L696 Q704 A705 L706 I712 L713 L754 | L689-I708 HydrophobicContact CB-CG2 3.95Å; R692-I708 HydrophobicContact CG-CD1 4.37Å; A693-I708 HydrophobicContact CB-CB 4.19Å; A693-I708 HydrophobicContact CB-CD1 3.98Å; A693-I708 HydrophobicContact CB-CG2 4.16Å; L696-I708 HydrophobicContact CD1-CD1 3.72Å; Q704-I708 PolarHBondContact O-N 3.17Å; A705-I708 WeakPolarHBondContact O-CB 3.27Å; A705-I708 PolarHBondContact O-N 3.3Å; L706-I708 VanDerWaalsContact C-N 3.28Å; L706-I708 PolarHBondContact O-N 3.33Å; I708-I712 HydrophobicContact CG1-CD1 4.26Å; I708-I712 WeakPolarHBondContact O-CB 3.47Å; I708-I712 PolarHBondContact O-N 3.27Å; I708-L713 HydrophobicContact CG2-CD1 4.06Å; I708-L713 HydrophobicContact CG2-CG 4.17Å; I708-L713 PolarHBondContact O-N 3.39Å; I708-L754 HydrophobicContact CD1-CD2 4.09Å; I708-L754 HydrophobicContact CG1-CD1 3.81Å; I708-L754 HydrophobicContact CG1-CD2 4Å |
| 709 | Y | 87.5 | Confident | 85.3 | Confident | 8 Ų | 8 | 47.8 Ų | 47.8 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -64.2 | -45.9 | -178.8 | -68.9 | -62.1 | 0 | 0 | 0 | 113.2 | A693 A705 L706 L713 K714 D715 M718 Y722 | A693-Y709 HydrophobicContact CB-CD2 4.35Å; A693-Y709 HydrophobicContact CB-CE1 4.38Å; A693-Y709 HydrophobicContact CB-CE2 3.66Å; A705-Y709 VanDerWaalsContact O-CD2 3.25Å; A705-Y709 WeakPolarHBondContact O-CD2 3.44Å; A705-Y709 PolarHBondContact O-N 3.07Å; L706-Y709 PolarHBondContact O-N 3.18Å; Y709-L713 HydrophobicContact CD1-CD1 3.8Å; Y709-L713 HydrophobicContact CE1-CD1 4.13Å; Y709-K714 PolarHBondContact O-N 3.16Å; Y709-K714 VanDerWaalsContact O-N 3.07Å; Y709-D715 PolarHBondContact O-N 2.91Å; Y709-M718 HydrophobicContact CD1-CB 3.8Å; Y709-M718 HydrophobicContact CE1-CB 4.17Å; Y709-M718 HydrophobicContact CE1-CE 4.07Å; Y709-Y722 HydrophobicContact CD2-CD2 4.49Å; Y709-Y722 HydrophobicContact CD2-CG 4.27Å; Y709-Y722 AromaticContact CE2-CD2 3.73Å; Y709-Y722 HydrophobicContact CE2-CD2 3.73Å; Y709-Y722 HydrophobicContact CE2-CE2 4.41Å; Y709-Y722 AromaticContact CE2-CG 3.92Å; Y709-Y722 HydrophobicContact CE2-CG 3.92Å |
| 710 | V | 84.9 | Confident | 85.3 | Confident | 16 Ų | 16 | 47.2 Ų | 47.2 | 10% | 0.097 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -79.8 | -45 | -172.4 | 175.4 | 0 | 0 | 0 | 0 | 112.7 | L706 K714 A719 L741 Y745 | L706-V710 VanDerWaalsContact O-CB 3.32Å; L706-V710 WeakPolarHBondContact O-CB 3.36Å; L706-V710 WeakPolarHBondContact O-CG2 3.45Å; L706-V710 PolarHBondContact O-N 3.46Å; V710-K714 WeakPolarHBondContact O-CA 3.3Å; V710-A719 HydrophobicContact CG2-CB 3.7Å; V710-L741 HydrophobicContact CG2-CD1 3.91Å; V710-Y745 HydrophobicContact CB-CE1 4.48Å; V710-Y745 HydrophobicContact CG1-CD1 3.88Å; V710-Y745 HydrophobicContact CG1-CE1 3.54Å; V710-Y745 HydrophobicContact CG2-CE1 4.06Å |
| 711 | H | 83.1 | Confident | 85.4 | Confident | 29 Ų | 29 | 48.5 Ų | 48.5 | 13% | 0.134 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -103.6 | -28.7 | -168.9 | -65.5 | -61 | 0 | 0 | 0 | 113.6 | F707 M744 P764 | F707-H711 HydrophobicContact CD1-CB 4.39Å; F707-H711 HydrophobicContact CD2-CB 4.43Å; F707-H711 AromaticContact CD2-CD2 3.6Å; F707-H711 HydrophobicContact CE1-CB 4.2Å; F707-H711 HydrophobicContact CE2-CB 4.21Å; F707-H711 AromaticContact CE2-CD2 3.78Å; F707-H711 HydrophobicContact CZ-CB 4.1Å; F707-H711 WeakPolarHBondContact O-CB 3.02Å; F707-H711 PolarHBondContact O-N 3.36Å; H711-M744 PolarHBondContact CE1-O 3.48Å; H711-M744 PolarHBondContact NE2-O 3.42Å; H711-P764 HydrophobicContact CB-CB 4.35Å; H711-P764 VanDerWaalsContact ND1-CB 3.26Å; H711-P764 WeakPolarHBondContact ND1-CB 3.43Å |
| 712 | I | 81.3 | Confident | 85.5 | Confident | 26 Ų | 26 | 44.5 Ų | 44.5 | 13% | 0.133 | 21% | 0.209 | C | C | . | . | I | π-helix | trans | -94.4 | -58.2 | 179.8 | -53 | -177.5 | 0 | 0 | 0 | 111.1 | L689 F707 I708 K714 L754 L759 L761 | L689-I712 HydrophobicContact CD1-CG2 3.58Å; F707-I712 HydrophobicContact CD1-CD1 4.22Å; F707-I712 HydrophobicContact CD1-CG1 4.22Å; F707-I712 HydrophobicContact CE1-CD1 4.22Å; F707-I712 HydrophobicContact CE1-CG1 4.1Å; F707-I712 PolarHBondContact O-N 3.04Å; I708-I712 HydrophobicContact CG1-CD1 4.26Å; I708-I712 WeakPolarHBondContact O-CB 3.47Å; I708-I712 PolarHBondContact O-N 3.27Å; I712-K714 VanDerWaalsContact C-N 3.32Å; I712-L754 HydrophobicContact CD1-CD1 3.45Å; I712-L754 VanDerWaalsContact CD1-CD1 3.45Å; I712-L759 HydrophobicContact CG2-CD2 4.48Å; I712-L761 HydrophobicContact CD1-CD1 4.32Å; I712-L761 HydrophobicContact CG1-CD1 4.11Å |
| 713 | L | 82.2 | Confident | 85.5 | Confident | 62 Ų | 62 | 44.1 Ų | 44.1 | 33% | 0.325 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -76.2 | -22 | 179.2 | -61.2 | 176.3 | 0 | 0 | 0 | 112.4 | L689 E690 I708 Y709 D715 | L689-L713 HydrophobicContact CB-CD2 4.43Å; L689-L713 HydrophobicContact CD1-CD2 4.36Å; E690-L713 HydrophobicContact CG-CD1 3.59Å; I708-L713 HydrophobicContact CG2-CD1 4.06Å; I708-L713 HydrophobicContact CG2-CG 4.17Å; I708-L713 PolarHBondContact O-N 3.39Å; Y709-L713 HydrophobicContact CD1-CD1 3.8Å; Y709-L713 HydrophobicContact CE1-CD1 4.13Å; L713-D715 PolarHBondContact O-N 3.13Å |
| 714 | K | 82 | Confident | 85.7 | Confident | 147 Ų | 147 | 45.7 Ų | 45.7 | 64% | 0.639 | 21% | 0.214 | S | C | * | . | trans | 56.3 | 31.8 | -178.5 | -58.8 | 179.4 | -178.6 | 173.8 | 0 | 113.4 | Y709 V710 I712 | Y709-K714 PolarHBondContact O-N 3.16Å; Y709-K714 VanDerWaalsContact O-N 3.07Å; V710-K714 WeakPolarHBondContact O-CA 3.3Å; I712-K714 VanDerWaalsContact C-N 3.32Å | ||
| 715 | D | 82.6 | Confident | 85.6 | Confident | 64 Ų | 64 | 48.9 Ų | 48.9 | 34% | 0.342 | 23% | 0.227 | S | C | . | . | trans | -107.2 | 99.4 | 178.9 | -167.5 | -29.6 | 0 | 0 | 0 | 110.1 | Y709 L713 R717 M718 A719 | Y709-D715 PolarHBondContact O-N 2.91Å; L713-D715 PolarHBondContact O-N 3.13Å; D715-R717 VanDerWaalsContact C-N 3.26Å; D715-R717 PolarHBondContact O-N 2.91Å; D715-R717 WeakPolarHBondContact OD1-CA 3.46Å; D715-R717 WeakPolarHBondContact OD1-CB 3.35Å; D715-R717 PolarHBondContact OD1-N 2.89Å; D715-M718 HydrophobicContact CB-CB 4.06Å; D715-M718 HydrophobicContact CB-CG 4.18Å; D715-M718 VanDerWaalsContact CG-CG 3.5Å; D715-M718 PolarHBondContact OD1-N 3.45Å; D715-M718 VanDerWaalsContact OD2-CG 3.29Å; D715-M718 WeakPolarHBondContact OD2-CG 3.49Å; D715-A719 PolarHBondContact O-N 3.26Å | ||
| 716 | T | 82.5 | Confident | 85.5 | Confident | 70 Ų | 70 | 50.5 Ų | 50.5 | 43% | 0.429 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -67.6 | -28.7 | 178.7 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | E720 Y745 | T716-E720 PolarHBondContact O-N 3.07Å; T716-E720 VanDerWaalsContact O-N 3.16Å; T716-Y745 HydrophobicContact CG2-CE1 4.41Å |
| 717 | R | 85.2 | Confident | 85.6 | Confident | 173 Ų | 173 | 52.8 Ų | 52.8 | 65% | 0.653 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -72.3 | -47.4 | -179.2 | 179.2 | -175.1 | 166.6 | -176.6 | -4.3 | 110.3 | D715 A719 E720 E721 | D715-R717 VanDerWaalsContact C-N 3.26Å; D715-R717 PolarHBondContact O-N 2.91Å; D715-R717 WeakPolarHBondContact OD1-CA 3.46Å; D715-R717 WeakPolarHBondContact OD1-CB 3.35Å; D715-R717 PolarHBondContact OD1-N 2.89Å; R717-A719 PolarHBondContact O-N 3.29Å; R717-E720 PolarHBondContact O-N 2.9Å; R717-E720 VanDerWaalsContact O-N 3.13Å; R717-E721 IonicContact CZ-OE1 3.89Å; R717-E721 IonicContact NE-OE1 2.86Å; R717-E721 PolarHBondContact NE-OE1 3.22Å; R717-E721 IonicContact NH2-OE1 2.65Å; R717-E721 PolarHBondContact NH2-OE1 3.22Å; R717-E721 WeakPolarHBondContact O-CG 2.98Å; R717-E721 PolarHBondContact O-N 3.02Å |
| 718 | M | 85.3 | Confident | 85.4 | Confident | 60 Ų | 60 | 54.9 Ų | 54.9 | 30% | 0.296 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.8 | -35.5 | 175.7 | -73.5 | -68.7 | -76 | 0 | 0 | 112 | Y709 D715 E721 Y722 | Y709-M718 HydrophobicContact CD1-CB 3.8Å; Y709-M718 HydrophobicContact CE1-CB 4.17Å; Y709-M718 HydrophobicContact CE1-CE 4.07Å; D715-M718 HydrophobicContact CB-CB 4.06Å; D715-M718 HydrophobicContact CB-CG 4.18Å; D715-M718 VanDerWaalsContact CG-CG 3.5Å; D715-M718 PolarHBondContact OD1-N 3.45Å; D715-M718 VanDerWaalsContact OD2-CG 3.29Å; D715-M718 WeakPolarHBondContact OD2-CG 3.49Å; M718-E721 PolarHBondContact O-N 3.38Å; M718-Y722 VanDerWaalsContact O-CB 3.3Å; M718-Y722 WeakPolarHBondContact O-CB 3.48Å; M718-Y722 PolarHBondContact O-N 3.14Å |
| 719 | A | 87.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L706 V710 D715 R717 C723 L741 | L706-A719 HydrophobicContact CD2-CB 4.32Å; V710-A719 HydrophobicContact CG2-CB 3.7Å; D715-A719 PolarHBondContact O-N 3.26Å; R717-A719 PolarHBondContact O-N 3.29Å; A719-C723 PolarHBondContact O-N 3.13Å; A719-C723 VanDerWaalsContact O-N 3.07Å; A719-C723 PolarHBondContact O-SG 3.22Å; A719-C723 VanDerWaalsContact O-SG 3.36Å; A719-L741 HydrophobicContact CB-CD1 3.96Å |
| 720 | E | 86.6 | Confident | 84.8 | Confident | 54 Ų | 54 | 67.9 Ų | 67.9 | 25% | 0.252 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.4 | -42.7 | 175.4 | -74.6 | -179 | -176.3 | 0 | 0 | 112.4 | T716 R717 Y722 C723 H724 L741 | T716-E720 PolarHBondContact O-N 3.07Å; T716-E720 VanDerWaalsContact O-N 3.16Å; R717-E720 PolarHBondContact O-N 2.9Å; R717-E720 VanDerWaalsContact O-N 3.13Å; E720-Y722 VanDerWaalsContact C-N 3.31Å; E720-Y722 PolarHBondContact O-N 3.26Å; E720-C723 PolarHBondContact O-N 3.4Å; E720-H724 PolarHBondContact O-N 3.31Å; E720-L741 HydrophobicContact CG-CD2 4.32Å |
| 721 | E | 87.7 | Confident | 84.6 | Confident | 66 Ų | 66 | 72.9 Ų | 72.9 | 31% | 0.308 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 175.7 | -72.1 | -178.1 | -168.7 | 0 | 0 | 111 | R717 M718 H724 K725 | R717-E721 IonicContact CZ-OE1 3.89Å; R717-E721 IonicContact NE-OE1 2.86Å; R717-E721 PolarHBondContact NE-OE1 3.22Å; R717-E721 IonicContact NH2-OE1 2.65Å; R717-E721 PolarHBondContact NH2-OE1 3.22Å; R717-E721 WeakPolarHBondContact O-CG 2.98Å; R717-E721 PolarHBondContact O-N 3.02Å; M718-E721 PolarHBondContact O-N 3.38Å; E721-H724 WeakPolarHBondContact O-CB 3.32Å; E721-H724 PolarHBondContact O-N 2.94Å; E721-K725 WeakPolarHBondContact O-CG 3.3Å; E721-K725 PolarHBondContact O-N 3.16Å |
| 722 | Y | 88.7 | Confident | 84 | Confident | 8 Ų | 8 | 77.9 Ų | 77.9 | 3% | 0.031 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.7 | -46.6 | 172.4 | 172.4 | -90.5 | 0 | 0 | 0 | 112.1 | G697 H702 A705 L706 Y709 M718 E720 H724 K725 H726 V737 | G697-Y722 WeakPolarHBondContact CA-OH 3.39Å; H702-Y722 HydrophobicContact CB-CE1 4.47Å; H702-Y722 AromaticContact ND1-CZ 3.77Å; H702-Y722 PolarHBondContact ND1-OH 3.37Å; A705-Y722 HydrophobicContact CB-CE1 4.31Å; A705-Y722 HydrophobicContact CB-CE2 3.98Å; A705-Y722 WeakPolarHBondContact CB-OH 3.31Å; L706-Y722 HydrophobicContact CD1-CE1 4.48Å; L706-Y722 HydrophobicContact CD2-CD1 3.48Å; L706-Y722 VanDerWaalsContact CD2-CD1 3.48Å; L706-Y722 HydrophobicContact CD2-CE1 3.9Å; L706-Y722 HydrophobicContact CD2-CG 4.44Å; L706-Y722 HydrophobicContact CG-CD1 3.98Å; L706-Y722 HydrophobicContact CG-CE1 3.84Å; Y709-Y722 HydrophobicContact CD2-CD2 4.49Å; Y709-Y722 HydrophobicContact CD2-CG 4.27Å; Y709-Y722 AromaticContact CE2-CD2 3.73Å; Y709-Y722 HydrophobicContact CE2-CD2 3.73Å; Y709-Y722 HydrophobicContact CE2-CE2 4.41Å; Y709-Y722 AromaticContact CE2-CG 3.92Å; Y709-Y722 HydrophobicContact CE2-CG 3.92Å; M718-Y722 VanDerWaalsContact O-CB 3.3Å; M718-Y722 WeakPolarHBondContact O-CB 3.48Å; M718-Y722 PolarHBondContact O-N 3.14Å; E720-Y722 VanDerWaalsContact C-N 3.31Å; E720-Y722 PolarHBondContact O-N 3.26Å; Y722-H724 VanDerWaalsContact C-N 3.29Å; Y722-H724 PolarHBondContact O-N 3.37Å; Y722-K725 PolarHBondContact O-N 3.18Å; Y722-H726 AromaticContact CD2-CD2 3.47Å; Y722-H726 VanDerWaalsContact CD2-CD2 3.47Å; Y722-H726 WeakPolarHBondContact CD2-CD2 3.35Å; Y722-H726 AromaticContact CD2-NE2 3.82Å; Y722-H726 AromaticContact CE2-CD2 3.27Å; Y722-H726 WeakPolarHBondContact CE2-CD2 3.26Å; Y722-H726 AromaticContact CE2-NE2 3.44Å; Y722-H726 WeakPolarHBondContact CE2-NE2 3.44Å; Y722-H726 AromaticContact CZ-CD2 3.75Å; Y722-H726 PolarHBondContact O-CD2 3.04Å; Y722-H726 PolarHBondContact O-N 3.24Å; Y722-V737 HydrophobicContact CE1-CG1 4.42Å |
| 723 | C | 89 | Confident | 83.6 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.6 | -39 | 176.5 | -71.2 | 0 | 0 | 0 | 0 | 112.2 | A719 E720 Y727 V737 Y738 | A719-C723 PolarHBondContact O-N 3.13Å; A719-C723 VanDerWaalsContact O-N 3.07Å; A719-C723 PolarHBondContact O-SG 3.22Å; A719-C723 VanDerWaalsContact O-SG 3.36Å; E720-C723 PolarHBondContact O-N 3.4Å; C723-Y727 WeakPolarHBondContact O-CB 3.26Å; C723-Y727 PolarHBondContact O-N 3.5Å; C723-V737 HydrophobicContact CB-CG1 3.92Å; C723-Y738 HydrophobicContact CB-CD1 3.71Å; C723-Y738 HydrophobicContact CB-CD2 4.44Å; C723-Y738 HydrophobicContact CB-CE1 3.44Å; C723-Y738 VanDerWaalsContact CB-CE1 3.44Å; C723-Y738 HydrophobicContact CB-CE2 4.21Å; C723-Y738 HydrophobicContact CB-CG 4.22Å |
| 724 | H | 88 | Confident | 83.6 | Confident | 119 Ų | 119 | 77.2 Ų | 77.2 | 55% | 0.551 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61.8 | -44.2 | 176.9 | -169.9 | 90.2 | 0 | 0 | 0 | 111.9 | E720 E721 Y722 Y738 | E720-H724 PolarHBondContact O-N 3.31Å; E721-H724 WeakPolarHBondContact O-CB 3.32Å; E721-H724 PolarHBondContact O-N 2.94Å; Y722-H724 VanDerWaalsContact C-N 3.29Å; Y722-H724 PolarHBondContact O-N 3.37Å; H724-Y738 WeakPolarHBondContact CA-OH 3.32Å; H724-Y738 PolarHBondContact N-OH 3.4Å |
| 725 | K | 85.9 | Confident | 83.6 | Confident | 123 Ų | 123 | 73.8 Ų | 73.8 | 54% | 0.535 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.6 | -37.3 | -179.4 | -71 | 176.1 | -175.5 | 179.6 | 0 | 113.1 | E669 E721 Y722 | E669-K725 WeakPolarHBondContact OE1-CE 3.34Å; E669-K725 IonicContact OE1-NZ 3.88Å; E669-K725 PolarHBondContact OE1-NZ 3.36Å; E669-K725 IonicContact OE2-NZ 3.34Å; E721-K725 WeakPolarHBondContact O-CG 3.3Å; E721-K725 PolarHBondContact O-N 3.16Å; Y722-K725 PolarHBondContact O-N 3.18Å |
| 726 | H | 86.2 | Confident | 83.7 | Confident | 34 Ų | 34 | 72.4 Ų | 72.4 | 16% | 0.157 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -96.2 | -9.1 | -174 | -74.9 | -82.7 | 0 | 0 | 0 | 115.1 | Y722 D728 N734 V737 | Y722-H726 AromaticContact CD2-CD2 3.47Å; Y722-H726 VanDerWaalsContact CD2-CD2 3.47Å; Y722-H726 WeakPolarHBondContact CD2-CD2 3.35Å; Y722-H726 AromaticContact CD2-NE2 3.82Å; Y722-H726 AromaticContact CE2-CD2 3.27Å; Y722-H726 WeakPolarHBondContact CE2-CD2 3.26Å; Y722-H726 AromaticContact CE2-NE2 3.44Å; Y722-H726 WeakPolarHBondContact CE2-NE2 3.44Å; Y722-H726 AromaticContact CZ-CD2 3.75Å; Y722-H726 PolarHBondContact O-CD2 3.04Å; Y722-H726 PolarHBondContact O-N 3.24Å; H726-D728 PolarHBondContact O-N 3.45Å; H726-N734 WeakPolarHBondContact O-CB 3.25Å; H726-N734 PolarHBondContact O-ND2 2.86Å; H726-N734 VanDerWaalsContact O-ND2 3.14Å; H726-V737 HydrophobicContact CB-CG2 4.42Å |
| 727 | Y | 88.3 | Confident | 84 | Confident | 48 Ų | 48 | 69.1 Ų | 69.1 | 19% | 0.188 | 33% | 0.332 | C | S | . | . | trans | -69.3 | 123.4 | 179.3 | 177.8 | -99.4 | 0 | 0 | 0 | 112.4 | C723 K735 Y738 K781 | C723-Y727 WeakPolarHBondContact O-CB 3.26Å; C723-Y727 PolarHBondContact O-N 3.5Å; Y727-K735 WeakPolarHBondContact CE2-O 3.18Å; Y727-Y738 AromaticContact CD2-CD2 3.65Å; Y727-Y738 HydrophobicContact CD2-CD2 3.65Å; Y727-Y738 HydrophobicContact CD2-CE2 4Å; Y727-Y738 HydrophobicContact CE2-CD2 4.32Å; Y727-Y738 AromaticContact CG-CD2 3.96Å; Y727-Y738 HydrophobicContact CG-CD2 3.96Å; Y727-Y738 AromaticContact CG-CE2 3.8Å; Y727-Y738 HydrophobicContact CG-CE2 3.8Å; Y727-K781 HydrophobicContact CD1-CB 4.33Å; Y727-K781 HydrophobicContact CD1-CD 3.68Å; Y727-K781 HydrophobicContact CD1-CG 4.06Å; Y727-K781 HydrophobicContact CD2-CB 4.3Å; Y727-K781 HydrophobicContact CE1-CB 3.8Å; Y727-K781 HydrophobicContact CE1-CD 3.77Å; Y727-K781 HydrophobicContact CE1-CG 3.6Å; Y727-K781 HydrophobicContact CE2-CB 3.78Å; Y727-K781 HydrophobicContact CE2-CG 4.49Å; Y727-K781 WeakPolarHBondContact CE2-O 3.16Å; Y727-K781 HydrophobicContact CG-CD 4.16Å; Y727-K781 VanDerWaalsContact CZ-CB 3.49Å; Y727-K781 VanDerWaalsContact OH-CA 3.29Å; Y727-K781 WeakPolarHBondContact OH-CA 3.47Å; Y727-K781 PolarHBondContact OH-O 3.18Å | ||
| 728 | D | 84.1 | Confident | 84.2 | Confident | 45 Ų | 45 | 60.9 Ų | 60.9 | 24% | 0.241 | 30% | 0.301 | C | S | . | . | trans | -141.7 | 119.5 | 173.5 | -175.4 | -14.8 | 0 | 0 | 0 | 109.1 | H726 N730 K731 N734 K735 | H726-D728 PolarHBondContact O-N 3.45Å; D728-N730 PolarHBondContact O-N 2.95Å; D728-N730 PolarHBondContact OD1-N 3.44Å; D728-K731 HydrophobicContact CB-CB 4.21Å; D728-K731 HydrophobicContact CB-CD 4.4Å; D728-K731 HydrophobicContact CB-CG 4.46Å; D728-K731 VanDerWaalsContact OD2-CD 3.25Å; D728-K731 WeakPolarHBondContact OD2-CD 3.32Å; D728-K731 VanDerWaalsContact OD2-CE 3.32Å; D728-K731 WeakPolarHBondContact OD2-CE 3.32Å; D728-K731 WeakPolarHBondContact OD2-CG 3.46Å; D728-K731 IonicContact OD2-NZ 3.85Å; D728-N734 HydrophobicContact CB-CB 4Å; D728-K735 VanDerWaalsContact O-CA 3.31Å; D728-K735 WeakPolarHBondContact O-CA 3.45Å; D728-K735 PolarHBondContact O-N 3.12Å | ||
| 729 | Q | 80 | Confident | 84.2 | Confident | 133 Ų | 133 | 58.1 Ų | 58.1 | 62% | 0.621 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -25.1 | -178.1 | -170.7 | 175.7 | 9.1 | 0 | 0 | 112.6 | ||
| 730 | N | 80.6 | Confident | 84.3 | Confident | 149 Ų | 149 | 58.6 Ų | 58.6 | 80% | 0.797 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -9.9 | -173 | -61.4 | -44.2 | 0 | 0 | 0 | 113.7 | D728 | D728-N730 PolarHBondContact O-N 2.95Å; D728-N730 PolarHBondContact OD1-N 3.44Å |
| 731 | K | 80.8 | Confident | 84.3 | Confident | 120 Ų | 120 | 56 Ų | 56 | 52% | 0.522 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -105.2 | 121.5 | -179.8 | -73.5 | -179.8 | -171.8 | 171.1 | 0 | 111.5 | D728 G733 N734 K735 | D728-K731 HydrophobicContact CB-CB 4.21Å; D728-K731 HydrophobicContact CB-CD 4.4Å; D728-K731 HydrophobicContact CB-CG 4.46Å; D728-K731 VanDerWaalsContact OD2-CD 3.25Å; D728-K731 WeakPolarHBondContact OD2-CD 3.32Å; D728-K731 VanDerWaalsContact OD2-CE 3.32Å; D728-K731 WeakPolarHBondContact OD2-CE 3.32Å; D728-K731 WeakPolarHBondContact OD2-CG 3.46Å; D728-K731 IonicContact OD2-NZ 3.85Å; K731-G733 PolarHBondContact O-N 2.98Å; K731-N734 HydrophobicContact CB-CB 4Å; K731-N734 PolarHBondContact O-N 2.9Å; K731-K735 PolarHBondContact O-N 2.97Å; K731-K735 VanDerWaalsContact O-N 3.11Å |
| 732 | D | 70.4 | Confident | 84.3 | Confident | 135 Ų | 135 | 52.9 Ų | 52.9 | 72% | 0.722 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 127 | 171.5 | -75.2 | -37.8 | 0 | 0 | 0 | 110.2 | K735 | D732-K735 VanDerWaalsContact OD1-CE 3.3Å; D732-K735 WeakPolarHBondContact OD1-CE 3.21Å; D732-K735 IonicContact OD1-NZ 3.76Å; D732-K735 PolarHBondContact OD1-NZ 3.1Å |
| 733 | G | 72.8 | Confident | 84.2 | Confident | 39 Ų | 39 | 56.6 Ų | 56.6 | 40% | 0.402 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.7 | -51.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K731 D736 | K731-G733 PolarHBondContact O-N 2.98Å; G733-D736 PolarHBondContact O-N 3.39Å |
| 734 | N | 81.8 | Confident | 84.1 | Confident | 35 Ų | 35 | 56.8 Ų | 56.8 | 19% | 0.187 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -74.8 | -28.2 | -179.7 | -72.4 | 29 | 0 | 0 | 0 | 113.1 | H702 H726 D728 K731 D736 V737 | H702-N734 PolarHBondContact NE2-OD1 2.89Å; H702-N734 VanDerWaalsContact NE2-OD1 3.12Å; H726-N734 WeakPolarHBondContact O-CB 3.25Å; H726-N734 PolarHBondContact O-ND2 2.86Å; H726-N734 VanDerWaalsContact O-ND2 3.14Å; D728-N734 HydrophobicContact CB-CB 4Å; K731-N734 HydrophobicContact CB-CB 4Å; K731-N734 PolarHBondContact O-N 2.9Å; N734-D736 PolarHBondContact O-N 3.14Å; N734-V737 WeakPolarHBondContact O-CB 3.44Å; N734-V737 WeakPolarHBondContact O-CG2 3.45Å; N734-V737 PolarHBondContact O-N 3.48Å |
| 735 | K | 81.7 | Confident | 84 | Confident | 74 Ų | 74 | 51.2 Ų | 51.2 | 32% | 0.322 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -61.9 | -27.4 | 176.2 | 69.7 | -174.1 | -174.8 | -174.6 | 0 | 113.8 | Y727 D728 K731 D732 | Y727-K735 WeakPolarHBondContact CE2-O 3.18Å; D728-K735 VanDerWaalsContact O-CA 3.31Å; D728-K735 WeakPolarHBondContact O-CA 3.45Å; D728-K735 PolarHBondContact O-N 3.12Å; K731-K735 PolarHBondContact O-N 2.97Å; K731-K735 VanDerWaalsContact O-N 3.11Å; D732-K735 VanDerWaalsContact OD1-CE 3.3Å; D732-K735 WeakPolarHBondContact OD1-CE 3.21Å; D732-K735 IonicContact OD1-NZ 3.76Å; D732-K735 PolarHBondContact OD1-NZ 3.1Å |
| 736 | D | 85.4 | Confident | 83.9 | Confident | 36 Ų | 36 | 46.4 Ų | 46.4 | 19% | 0.193 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -103.4 | 17.3 | -175.8 | -68.5 | -41.7 | 0 | 0 | 0 | 111.4 | G733 N734 L739 S740 K786 | G733-D736 PolarHBondContact O-N 3.39Å; N734-D736 PolarHBondContact O-N 3.14Å; D736-L739 HydrophobicContact CB-CB 4.17Å; D736-L739 HydrophobicContact CB-CD2 4.22Å; D736-L739 CarbonylContact O-C 3.51Å; D736-L739 VanDerWaalsContact O-CB 3.29Å; D736-L739 WeakPolarHBondContact O-CB 3.45Å; D736-L739 PolarHBondContact O-N 3.39Å; D736-S740 PolarHBondContact O-N 3.32Å; D736-S740 PolarHBondContact O-OG 3.13Å; D736-K786 VanDerWaalsContact CG-NZ 3.26Å; D736-K786 IonicContact OD1-NZ 2.76Å; D736-K786 PolarHBondContact OD1-NZ 3.26Å; D736-K786 IonicContact OD2-NZ 3.94Å; D736-K786 PolarHBondContact OD2-NZ 3.12Å |
| 737 | V | 88.5 | Confident | 83.7 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.6 | -45.8 | -178.6 | 169.9 | 0 | 0 | 0 | 0 | 112.1 | H702 Y722 C723 H726 N734 L739 S740 L741 | H702-V737 HydrophobicContact CB-CG2 4.33Å; Y722-V737 HydrophobicContact CE1-CG1 4.42Å; C723-V737 HydrophobicContact CB-CG1 3.92Å; H726-V737 HydrophobicContact CB-CG2 4.42Å; N734-V737 WeakPolarHBondContact O-CB 3.44Å; N734-V737 WeakPolarHBondContact O-CG2 3.45Å; N734-V737 PolarHBondContact O-N 3.48Å; V737-L739 VanDerWaalsContact C-N 3.25Å; V737-L739 PolarHBondContact O-N 3.38Å; V737-S740 VanDerWaalsContact O-CB 3.32Å; V737-S740 WeakPolarHBondContact O-CB 3.38Å; V737-S740 PolarHBondContact O-N 3.47Å; V737-S740 VanDerWaalsContact O-N 3.12Å; V737-L741 PolarHBondContact O-N 3.04Å |
| 738 | Y | 88.3 | Confident | 83.2 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.7 | -30.4 | 173.5 | -76.3 | -77 | 0 | 0 | 0 | 112.2 | C723 H724 Y727 S740 L741 L742 V774 H778 K781 | C723-Y738 HydrophobicContact CB-CD1 3.71Å; C723-Y738 HydrophobicContact CB-CD2 4.44Å; C723-Y738 HydrophobicContact CB-CE1 3.44Å; C723-Y738 VanDerWaalsContact CB-CE1 3.44Å; C723-Y738 HydrophobicContact CB-CE2 4.21Å; C723-Y738 HydrophobicContact CB-CG 4.22Å; H724-Y738 WeakPolarHBondContact CA-OH 3.32Å; H724-Y738 PolarHBondContact N-OH 3.4Å; Y727-Y738 AromaticContact CD2-CD2 3.65Å; Y727-Y738 HydrophobicContact CD2-CD2 3.65Å; Y727-Y738 HydrophobicContact CD2-CE2 4Å; Y727-Y738 HydrophobicContact CE2-CD2 4.32Å; Y727-Y738 AromaticContact CG-CD2 3.96Å; Y727-Y738 HydrophobicContact CG-CD2 3.96Å; Y727-Y738 AromaticContact CG-CE2 3.8Å; Y727-Y738 HydrophobicContact CG-CE2 3.8Å; Y738-S740 VanDerWaalsContact C-N 3.33Å; Y738-L741 PolarHBondContact O-N 2.93Å; Y738-L742 PolarHBondContact O-N 3.16Å; Y738-V774 HydrophobicContact CD1-CG1 4.29Å; Y738-H778 HydrophobicContact CD1-CB 4.04Å; Y738-H778 AromaticContact CD1-CD2 3.69Å; Y738-H778 AromaticContact CD1-CG 3.98Å; Y738-H778 HydrophobicContact CE1-CB 4.04Å; Y738-H778 AromaticContact CE1-CD2 3.18Å; Y738-H778 WeakPolarHBondContact CE1-CD2 3.41Å; Y738-H778 AromaticContact CE1-CG 3.53Å; Y738-H778 AromaticContact CE1-NE2 3.61Å; Y738-H778 HydrophobicContact CG-CB 4.44Å; Y738-H778 AromaticContact CZ-CD2 3.99Å; Y738-H778 AromaticContact CZ-CG 3.96Å; Y738-K781 HydrophobicContact CD2-CB 4Å; Y738-K781 HydrophobicContact CD2-CD 4.21Å; Y738-K781 HydrophobicContact CE2-CB 4.18Å; Y738-K781 HydrophobicContact CE2-CD 3.52Å |
| 739 | L | 87.2 | Confident | 82.7 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.3 | -37.8 | 172.9 | -168.3 | 82.2 | 0 | 0 | 0 | 110.7 | D736 V737 L742 R743 L782 K786 A787 L790 | D736-L739 HydrophobicContact CB-CB 4.17Å; D736-L739 HydrophobicContact CB-CD2 4.22Å; D736-L739 CarbonylContact O-C 3.51Å; D736-L739 VanDerWaalsContact O-CB 3.29Å; D736-L739 WeakPolarHBondContact O-CB 3.45Å; D736-L739 PolarHBondContact O-N 3.39Å; V737-L739 VanDerWaalsContact C-N 3.25Å; V737-L739 PolarHBondContact O-N 3.38Å; L739-L742 WeakPolarHBondContact O-CB 3.48Å; L739-L742 PolarHBondContact O-N 3.38Å; L739-R743 WeakPolarHBondContact O-CG 3.23Å; L739-R743 PolarHBondContact O-N 3.43Å; L739-L782 HydrophobicContact CB-CD2 4.26Å; L739-K786 HydrophobicContact CD1-CB 3.7Å; L739-K786 HydrophobicContact CD2-CB 3.9Å; L739-K786 HydrophobicContact CD2-CD 3.7Å; L739-K786 HydrophobicContact CD2-CG 4.46Å; L739-K786 HydrophobicContact CG-CB 4.48Å; L739-A787 HydrophobicContact CD1-CB 4.36Å; L739-L790 HydrophobicContact CD1-CD1 3.48Å; L739-L790 VanDerWaalsContact CD1-CD1 3.48Å; L739-L790 HydrophobicContact CD2-CD1 4.37Å; L739-L790 HydrophobicContact CG-CD1 3.67Å |
| 740 | S | 87.6 | Confident | 82.3 | Confident | 11 Ų | 11 | 44.3 Ų | 44.3 | 8% | 0.077 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65 | -40.6 | 174.9 | -54.2 | 0 | 0 | 0 | 0 | 111 | D736 V737 Y738 R743 M744 | D736-S740 PolarHBondContact O-N 3.32Å; D736-S740 PolarHBondContact O-OG 3.13Å; V737-S740 VanDerWaalsContact O-CB 3.32Å; V737-S740 WeakPolarHBondContact O-CB 3.38Å; V737-S740 PolarHBondContact O-N 3.47Å; V737-S740 VanDerWaalsContact O-N 3.12Å; Y738-S740 VanDerWaalsContact C-N 3.33Å; S740-R743 WeakPolarHBondContact O-CB 3.26Å; S740-R743 PolarHBondContact O-N 3.43Å; S740-M744 WeakPolarHBondContact O-CG 3.36Å; S740-M744 PolarHBondContact O-N 3.36Å |
| 741 | L | 87.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 172.4 | -179.6 | 65.5 | 0 | 0 | 0 | 111.8 | L706 V710 A719 E720 V737 Y738 R743 M744 Y745 V774 | L706-L741 HydrophobicContact CD1-CB 4.02Å; L706-L741 HydrophobicContact CD2-CD1 4.02Å; V710-L741 HydrophobicContact CG2-CD1 3.91Å; A719-L741 HydrophobicContact CB-CD1 3.96Å; E720-L741 HydrophobicContact CG-CD2 4.32Å; V737-L741 PolarHBondContact O-N 3.04Å; Y738-L741 PolarHBondContact O-N 2.93Å; L741-R743 VanDerWaalsContact C-N 3.31Å; L741-R743 PolarHBondContact O-N 3.26Å; L741-M744 WeakPolarHBondContact O-CB 3.37Å; L741-M744 PolarHBondContact O-N 3.03Å; L741-M744 VanDerWaalsContact O-N 3.09Å; L741-Y745 HydrophobicContact CD1-CD2 4.29Å; L741-Y745 HydrophobicContact CD1-CE2 3.62Å; L741-Y745 HydrophobicContact CD2-CE2 4.16Å; L741-Y745 HydrophobicContact CG-CD2 4.15Å; L741-Y745 HydrophobicContact CG-CE2 3.67Å; L741-Y745 WeakPolarHBondContact O-CD2 3.38Å; L741-Y745 PolarHBondContact O-N 3Å; L741-Y745 VanDerWaalsContact O-N 3.14Å; L741-V774 HydrophobicContact CD2-CG1 4.39Å; L741-V774 HydrophobicContact CD2-CG2 3.78Å; L741-V774 HydrophobicContact CG-CG2 4.38Å |
| 742 | L | 86.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.7 | -42.8 | 175.2 | -166.1 | 78.6 | 0 | 0 | 0 | 111.4 | Y738 L739 Y745 L746 A771 L775 A787 L790 | Y738-L742 PolarHBondContact O-N 3.16Å; L739-L742 WeakPolarHBondContact O-CB 3.48Å; L739-L742 PolarHBondContact O-N 3.38Å; L742-Y745 PolarHBondContact O-N 3.18Å; L742-L746 HydrophobicContact CD1-CD1 4.19Å; L742-L746 HydrophobicContact CD2-CD1 4.14Å; L742-L746 HydrophobicContact CG-CD1 3.74Å; L742-L746 HydrophobicContact CG-CG 4.46Å; L742-L746 WeakPolarHBondContact O-CB 3.12Å; L742-L746 WeakPolarHBondContact O-CG 3.36Å; L742-L746 PolarHBondContact O-N 3.19Å; L742-A771 HydrophobicContact CD1-CB 3.81Å; L742-A771 WeakPolarHBondContact CD1-O 3.24Å; L742-L775 HydrophobicContact CD1-CD1 4.26Å; L742-L775 HydrophobicContact CD1-CD2 4.22Å; L742-L775 HydrophobicContact CD1-CG 3.9Å; L742-L775 HydrophobicContact CD2-CD2 4.25Å; L742-A787 HydrophobicContact CD2-CB 4.28Å; L742-L790 HydrophobicContact CD2-CB 4.18Å; L742-L790 HydrophobicContact CD2-CD1 4.1Å |
| 743 | R | 86.9 | Confident | 80.9 | Confident | 85 Ų | 85 | 36.2 Ų | 36.2 | 32% | 0.321 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.3 | -40.8 | 173.1 | -71.2 | 179.6 | -174 | 164.2 | 1.4 | 112.4 | E703 L739 S740 L741 Y745 L746 S747 L790 | E703-R743 IonicContact OE1-NH1 2.78Å; E703-R743 PolarHBondContact OE1-NH1 2.63Å; L739-R743 WeakPolarHBondContact O-CG 3.23Å; L739-R743 PolarHBondContact O-N 3.43Å; S740-R743 WeakPolarHBondContact O-CB 3.26Å; S740-R743 PolarHBondContact O-N 3.43Å; L741-R743 VanDerWaalsContact C-N 3.31Å; L741-R743 PolarHBondContact O-N 3.26Å; R743-Y745 PolarHBondContact O-N 3.41Å; R743-L746 PolarHBondContact O-N 3.46Å; R743-S747 CarbonylContact O-C 3.12Å; R743-S747 WeakPolarHBondContact O-CA 3.47Å; R743-S747 PolarHBondContact O-N 3.03Å; R743-S747 VanDerWaalsContact O-O 3.12Å; R743-S747 PolarHBondContact O-OG 2.99Å; R743-L790 HydrophobicContact CG-CD1 3.59Å; R743-L790 HydrophobicContact CG-CD2 3.83Å; R743-L790 HydrophobicContact CG-CG 4.36Å |
| 744 | M | 87.4 | Confident | 80.5 | Confident | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.02 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.5 | -32.4 | 178.4 | -68.3 | -50.7 | 97.6 | 0 | 0 | 112.3 | E703 L706 F707 H711 S740 L741 P749 | E703-M744 HydrophobicContact CB-CE 4.19Å; E703-M744 HydrophobicContact CG-CE 4.19Å; L706-M744 HydrophobicContact CB-CG 3.8Å; F707-M744 HydrophobicContact CB-SD 4.4Å; H711-M744 PolarHBondContact CE1-O 3.48Å; H711-M744 PolarHBondContact NE2-O 3.42Å; S740-M744 WeakPolarHBondContact O-CG 3.36Å; S740-M744 PolarHBondContact O-N 3.36Å; L741-M744 WeakPolarHBondContact O-CB 3.37Å; L741-M744 PolarHBondContact O-N 3.03Å; L741-M744 VanDerWaalsContact O-N 3.09Å; M744-P749 HydrophobicContact CE-CG 3.87Å; M744-P749 VanDerWaalsContact SD-CD 3.54Å; M744-P749 HydrophobicContact SD-CG 3.83Å |
| 745 | Y | 85.9 | Confident | 79.9 | Confident | 3 Ų | 3 | 34.6 Ų | 34.6 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -83.1 | -35.5 | 175.8 | -68 | -45.6 | 0 | 0 | 0 | 114 | V710 T716 L741 L742 R743 A766 N767 A770 V774 | V710-Y745 HydrophobicContact CB-CE1 4.48Å; V710-Y745 HydrophobicContact CG1-CD1 3.88Å; V710-Y745 HydrophobicContact CG1-CE1 3.54Å; V710-Y745 HydrophobicContact CG2-CE1 4.06Å; T716-Y745 HydrophobicContact CG2-CE1 4.41Å; L741-Y745 HydrophobicContact CD1-CD2 4.29Å; L741-Y745 HydrophobicContact CD1-CE2 3.62Å; L741-Y745 HydrophobicContact CD2-CE2 4.16Å; L741-Y745 HydrophobicContact CG-CD2 4.15Å; L741-Y745 HydrophobicContact CG-CE2 3.67Å; L741-Y745 WeakPolarHBondContact O-CD2 3.38Å; L741-Y745 PolarHBondContact O-N 3Å; L741-Y745 VanDerWaalsContact O-N 3.14Å; L742-Y745 PolarHBondContact O-N 3.18Å; R743-Y745 PolarHBondContact O-N 3.41Å; Y745-A766 CarbonylContact O-C 3.58Å; Y745-A766 WeakPolarHBondContact O-CA 3.45Å; Y745-N767 HydrophobicContact CD1-CB 4.17Å; Y745-N767 PolarHBondContact O-N 3.18Å; Y745-A770 HydrophobicContact CD1-CB 3.96Å; Y745-A770 HydrophobicContact CD2-CB 3.99Å; Y745-A770 HydrophobicContact CE1-CB 3.87Å; Y745-A770 HydrophobicContact CE2-CB 3.89Å; Y745-A770 HydrophobicContact CG-CB 4.04Å; Y745-V774 HydrophobicContact CD2-CG2 4.42Å; Y745-V774 HydrophobicContact CE2-CG2 4.01Å |
| 746 | L | 84.5 | Confident | 79 | Confident | 21 Ų | 21 | 35.9 Ų | 35.9 | 11% | 0.11 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -93.5 | -38.4 | -174 | -65 | 176.5 | 0 | 0 | 0 | 113.9 | L742 R743 L768 A771 L790 L791 P792 | L742-L746 HydrophobicContact CD1-CD1 4.19Å; L742-L746 HydrophobicContact CD2-CD1 4.14Å; L742-L746 HydrophobicContact CG-CD1 3.74Å; L742-L746 HydrophobicContact CG-CG 4.46Å; L742-L746 WeakPolarHBondContact O-CB 3.12Å; L742-L746 WeakPolarHBondContact O-CG 3.36Å; L742-L746 PolarHBondContact O-N 3.19Å; R743-L746 PolarHBondContact O-N 3.46Å; L746-L768 HydrophobicContact CD2-CD1 3.77Å; L746-A771 HydrophobicContact CD1-CB 4.25Å; L746-A771 HydrophobicContact CD2-CB 3.49Å; L746-A771 VanDerWaalsContact CD2-CB 3.49Å; L746-A771 HydrophobicContact CG-CB 3.71Å; L746-L790 HydrophobicContact CD1-CB 4.41Å; L746-L790 WeakPolarHBondContact CD1-O 3.15Å; L746-L791 HydrophobicContact CD1-CD2 4.05Å; L746-P792 HydrophobicContact CD2-CG 4.38Å |
| 747 | S | 80.9 | Confident | 77.9 | Confident | 70 Ų | 70 | 35.9 Ų | 35.9 | 49% | 0.49 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -138.6 | 71.7 | -177.6 | 61.5 | 0 | 0 | 0 | 0 | 110 | R743 | R743-S747 CarbonylContact O-C 3.12Å; R743-S747 WeakPolarHBondContact O-CA 3.47Å; R743-S747 PolarHBondContact O-N 3.03Å; R743-S747 VanDerWaalsContact O-O 3.12Å; R743-S747 PolarHBondContact O-OG 2.99Å |
| 748 | P | 77.7 | Confident | 76.3 | Confident | 34 Ų | 34 | 44.9 Ų | 44.9 | 22% | 0.221 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 133 | -175.3 | 24.9 | -33.8 | 0 | 0 | 0 | 111.3 | P764 | P748-P764 HydrophobicContact CB-CB 3.74Å; P748-P764 HydrophobicContact CB-CG 3.92Å; P748-P764 HydrophobicContact CG-CB 4.11Å; P748-P764 HydrophobicContact CG-CG 4.31Å |
| 749 | P | 73.6 | Confident | 75.1 | Confident | 37 Ų | 37 | 48.9 Ų | 48.9 | 24% | 0.24 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 161 | 176 | 28.5 | -33.3 | 0 | 0 | 0 | 111.4 | F707 M744 C753 | F707-P749 HydrophobicContact CD2-CG 3.8Å; F707-P749 HydrophobicContact CE2-CG 4.26Å; F707-P749 WeakPolarHBondContact CE2-O 3.45Å; M744-P749 HydrophobicContact CE-CG 3.87Å; M744-P749 VanDerWaalsContact SD-CD 3.54Å; M744-P749 HydrophobicContact SD-CG 3.83Å; P749-C753 HydrophobicContact CB-CB 4.39Å |
| 750 | S | 72.2 | Confident | 73.6 | Confident | 76 Ų | 76 | 58.3 Ų | 58.3 | 53% | 0.531 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 147.5 | 175.7 | 175 | 0 | 0 | 0 | 0 | 111.8 | H752 C753 | S750-H752 PolarHBondContact O-N 3.23Å; S750-H752 PolarHBondContact OG-CD2 2.88Å; S750-C753 VanDerWaalsContact O-CB 3.24Å; S750-C753 WeakPolarHBondContact O-CB 3.38Å; S750-C753 PolarHBondContact O-N 2.9Å; S750-C753 PolarHBondContact O-SG 3Å |
| 751 | I | 67.4 | Low | 72.5 | Confident | 36 Ų | 36 | 60.3 Ų | 60.3 | 19% | 0.185 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -54.8 | -24.9 | 178.3 | -60.1 | 164.8 | 0 | 0 | 0 | 112.2 | F707 C753 I757 L761 | F707-I751 HydrophobicContact CZ-CB 4.41Å; F707-I751 HydrophobicContact CZ-CG1 4.14Å; I751-C753 PolarHBondContact O-N 2.88Å; I751-C753 VanDerWaalsContact O-N 3.16Å; I751-I757 HydrophobicContact CG2-CD1 4.16Å; I751-L761 HydrophobicContact CD1-CB 4.11Å; I751-L761 HydrophobicContact CG2-CD1 4.1Å |
| 752 | H | 67.6 | Low | 71.5 | Confident | 156 Ų | 156 | 67.5 Ų | 67.5 | 72% | 0.722 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -69.2 | -6.8 | 176.8 | -59.3 | -56.3 | 0 | 0 | 0 | 114.6 | S750 L754 G755 | S750-H752 PolarHBondContact O-N 3.23Å; S750-H752 PolarHBondContact OG-CD2 2.88Å; H752-L754 PolarHBondContact O-N 3.42Å; H752-L754 VanDerWaalsContact O-N 3.14Å; H752-G755 PolarHBondContact O-N 3.03Å |
| 753 | C | 67.6 | Low | 70.5 | Confident | 42 Ų | 42 | 75.4 Ų | 75.4 | 28% | 0.284 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -62.6 | -18.8 | 179.7 | 68.7 | 0 | 0 | 0 | 0 | 114 | Q704 P749 S750 I751 | Q704-C753 PolarHBondContact NE2-O 3.11Å; P749-C753 HydrophobicContact CB-CB 4.39Å; S750-C753 VanDerWaalsContact O-CB 3.24Å; S750-C753 WeakPolarHBondContact O-CB 3.38Å; S750-C753 PolarHBondContact O-N 2.9Å; S750-C753 PolarHBondContact O-SG 3Å; I751-C753 PolarHBondContact O-N 2.88Å; I751-C753 VanDerWaalsContact O-N 3.16Å |
| 754 | L | 64.1 | Low | 69.9 | Low | 10 Ų | 10 | 72.9 Ų | 72.9 | 5% | 0.052 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -99.7 | -4.5 | -179.3 | -77.8 | 174.9 | 0 | 0 | 0 | 114.4 | F685 L696 Q704 F707 I708 I712 H752 I757 | F685-L754 WeakPolarHBondContact CD1-O 3.18Å; F685-L754 WeakPolarHBondContact CE1-O 3.47Å; L696-L754 HydrophobicContact CD1-CD2 4.21Å; Q704-L754 HydrophobicContact CB-CD2 3.86Å; Q704-L754 HydrophobicContact CG-CD2 4.4Å; F707-L754 HydrophobicContact CD1-CD1 3.37Å; F707-L754 HydrophobicContact CD1-CG 4.04Å; F707-L754 HydrophobicContact CE1-CD1 3.84Å; F707-L754 HydrophobicContact CG-CD1 4.36Å; I708-L754 HydrophobicContact CD1-CD2 4.09Å; I708-L754 HydrophobicContact CG1-CD1 3.81Å; I708-L754 HydrophobicContact CG1-CD2 4Å; I712-L754 HydrophobicContact CD1-CD1 3.45Å; I712-L754 VanDerWaalsContact CD1-CD1 3.45Å; H752-L754 PolarHBondContact O-N 3.42Å; H752-L754 VanDerWaalsContact O-N 3.14Å; L754-I757 HydrophobicContact CB-CD1 3.53Å; L754-I757 HydrophobicContact CB-CG1 4.29Å; L754-I757 HydrophobicContact CD1-CD1 3.87Å; L754-I757 HydrophobicContact CG-CD1 4.36Å |
| 755 | G | 68.1 | Low | 69.3 | Low | 29 Ų | 29 | 81.3 Ų | 81.3 | 30% | 0.299 | 43% | 0.43 | S | S | . | . | S | Bend | trans | 104.2 | -162.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | H752 I757 | H752-G755 PolarHBondContact O-N 3.03Å; G755-I757 VanDerWaalsContact C-N 3.32Å; G755-I757 PolarHBondContact O-N 3.43Å |
| 756 | P | 62.7 | Low | 68.9 | Low | 102 Ų | 102 | 84.3 Ų | 84.3 | 66% | 0.662 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -75 | 80.8 | -177.6 | 31.2 | -33.7 | 0 | 0 | 0 | 111.2 | F685 | F685-P756 HydrophobicContact CD2-CG 4.5Å; F685-P756 HydrophobicContact CE2-CG 4.33Å |
| 757 | I | 62.4 | Low | 68.9 | Low | 35 Ų | 35 | 86.5 Ų | 86.5 | 18% | 0.179 | 47% | 0.467 | C | S | . | . | trans | -77.4 | 129.6 | 173.7 | -66.4 | 164.7 | 0 | 0 | 0 | 109.5 | F685 I751 L754 G755 L759 L761 | F685-I757 HydrophobicContact CB-CG1 4.46Å; I751-I757 HydrophobicContact CG2-CD1 4.16Å; L754-I757 HydrophobicContact CB-CD1 3.53Å; L754-I757 HydrophobicContact CB-CG1 4.29Å; L754-I757 HydrophobicContact CD1-CD1 3.87Å; L754-I757 HydrophobicContact CG-CD1 4.36Å; G755-I757 VanDerWaalsContact C-N 3.32Å; G755-I757 PolarHBondContact O-N 3.43Å; I757-L759 HydrophobicContact CG2-CB 3.59Å; I757-L761 HydrophobicContact CG2-CD1 4.32Å | ||
| 758 | K | 56 | Low | 68.9 | Low | 189 Ų | 189 | 86.4 Ų | 86.4 | 82% | 0.822 | 46% | 0.461 | S | S | * | . | trans | -94.6 | 4.2 | 173.9 | -73.1 | -176.5 | 179.3 | 176.7 | 0 | 114.1 | ||||
| 759 | L | 62 | Low | 69.2 | Low | 86 Ų | 86 | 91.4 Ų | 91.4 | 45% | 0.45 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -84.7 | 130.7 | -178 | -161.6 | 66.7 | 0 | 0 | 0 | 110.7 | I712 I757 L761 | I712-L759 HydrophobicContact CG2-CD2 4.48Å; I757-L759 HydrophobicContact CG2-CB 3.59Å; L759-L761 HydrophobicContact CB-CG 4.2Å; L759-L761 HydrophobicContact CD2-CD1 4.32Å; L759-L761 HydrophobicContact CD2-CD2 3.71Å; L759-L761 HydrophobicContact CD2-CG 4Å; L759-L761 HydrophobicContact CG-CD2 4.17Å; L759-L761 HydrophobicContact CG-CG 4.13Å; L759-L761 PolarHBondContact O-N 2.97Å |
| 760 | E | 57.4 | Low | 69.7 | Low | 199 Ų | 199 | 90 Ų | 90 | 93% | 0.93 | 47% | 0.473 | S | S | * | . | trans | -70.7 | 93.6 | 171.8 | -70.7 | -176 | 174.9 | 0 | 0 | 109.7 | ||||
| 761 | L | 64.4 | Low | 70.3 | Confident | 52 Ų | 52 | 86.4 Ų | 86.4 | 27% | 0.272 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -103.6 | 139.3 | -179.8 | -70.5 | 172.9 | 0 | 0 | 0 | 111.3 | I712 I751 I757 L759 | I712-L761 HydrophobicContact CD1-CD1 4.32Å; I712-L761 HydrophobicContact CG1-CD1 4.11Å; I751-L761 HydrophobicContact CD1-CB 4.11Å; I751-L761 HydrophobicContact CG2-CD1 4.1Å; I757-L761 HydrophobicContact CG2-CD1 4.32Å; L759-L761 HydrophobicContact CB-CG 4.2Å; L759-L761 HydrophobicContact CD2-CD1 4.32Å; L759-L761 HydrophobicContact CD2-CD2 3.71Å; L759-L761 HydrophobicContact CD2-CG 4Å; L759-L761 HydrophobicContact CG-CD2 4.17Å; L759-L761 HydrophobicContact CG-CG 4.13Å; L759-L761 PolarHBondContact O-N 2.97Å |
| 762 | L | 64.9 | Low | 71.2 | Confident | 151 Ų | 151 | 86.5 Ų | 86.5 | 79% | 0.791 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 142.4 | 168.9 | -70.7 | 165.9 | 0 | 0 | 0 | 109.7 | ||
| 763 | E | 66.8 | Low | 72.1 | Confident | 167 Ų | 167 | 83.5 Ų | 83.5 | 78% | 0.78 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 132 | 176 | -70.8 | -171.5 | 161.6 | 0 | 0 | 111.2 | K765 | E763-K765 PolarHBondContact O-N 3.42Š|
| 764 | P | 73.1 | Confident | 72.9 | Confident | 32 Ų | 32 | 81.5 Ų | 81.5 | 21% | 0.208 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 130.6 | -176.8 | 26.5 | -33.6 | 0 | 0 | 0 | 110.6 | F707 H711 P748 | F707-P764 HydrophobicContact CE2-CG 4.31Å; H711-P764 HydrophobicContact CB-CB 4.35Å; H711-P764 VanDerWaalsContact ND1-CB 3.26Å; H711-P764 WeakPolarHBondContact ND1-CB 3.43Å; P748-P764 HydrophobicContact CB-CB 3.74Å; P748-P764 HydrophobicContact CB-CG 3.92Å; P748-P764 HydrophobicContact CG-CB 4.11Å; P748-P764 HydrophobicContact CG-CG 4.31Å |
| 765 | K | 75.3 | Confident | 74 | Confident | 180 Ų | 180 | 81.1 Ų | 81.1 | 78% | 0.783 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -102.7 | 146.5 | -179.9 | -65.6 | -176.8 | -178.1 | 179.2 | 0 | 110.8 | E763 | E763-K765 PolarHBondContact O-N 3.42Š|
| 766 | A | 78.9 | Confident | 74.8 | Confident | 67 Ų | 67 | 83.5 Ų | 83.5 | 55% | 0.554 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 135.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y745 | Y745-A766 CarbonylContact O-C 3.58Å; Y745-A766 WeakPolarHBondContact O-CA 3.45Å |
| 767 | N | 83.4 | Confident | 75.9 | Confident | 67 Ų | 67 | 83.7 Ų | 83.7 | 36% | 0.358 | 42% | 0.417 | S | S | . | . | trans | -118.8 | 86.4 | 177.6 | -172.7 | -12.9 | 0 | 0 | 0 | 110 | Y745 Q769 A770 A771 | Y745-N767 HydrophobicContact CD1-CB 4.17Å; Y745-N767 PolarHBondContact O-N 3.18Å; N767-Q769 VanDerWaalsContact C-N 3.29Å; N767-Q769 PolarHBondContact O-N 3.3Å; N767-Q769 PolarHBondContact OD1-N 2.78Å; N767-A770 HydrophobicContact CB-CB 4.27Å; N767-A770 PolarHBondContact O-N 3.45Å; N767-A770 PolarHBondContact OD1-N 2.82Å; N767-A770 VanDerWaalsContact OD1-N 3.12Å; N767-A771 PolarHBondContact O-N 3.4Å | ||
| 768 | L | 82.3 | Confident | 77.1 | Confident | 68 Ų | 68 | 83.6 Ų | 83.6 | 36% | 0.356 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.4 | -35.6 | -178.4 | -175.7 | 63.5 | 0 | 0 | 0 | 112.4 | L746 A771 L772 | L746-L768 HydrophobicContact CD2-CD1 3.77Å; L768-A771 PolarHBondContact O-N 3.33Å; L768-L772 HydrophobicContact CG-CD1 4.26Å; L768-L772 WeakPolarHBondContact O-CG 3.45Å; L768-L772 PolarHBondContact O-N 2.95Å |
| 769 | Q | 83.8 | Confident | 78.5 | Confident | 139 Ų | 139 | 76.3 Ų | 76.3 | 65% | 0.65 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -66.6 | -44 | -177.8 | -173.4 | 177.4 | -10.2 | 0 | 0 | 112 | N767 A771 L772 Q773 | N767-Q769 VanDerWaalsContact C-N 3.29Å; N767-Q769 PolarHBondContact O-N 3.3Å; N767-Q769 PolarHBondContact OD1-N 2.78Å; Q769-A771 VanDerWaalsContact C-N 3.34Å; Q769-L772 PolarHBondContact O-N 3.3Å; Q769-Q773 WeakPolarHBondContact O-CG 3.34Å; Q769-Q773 PolarHBondContact O-N 3.14Å; Q769-Q773 VanDerWaalsContact O-N 3.16Å |
| 770 | A | 83.8 | Confident | 79.4 | Confident | 8 Ų | 8 | 74.8 Ų | 74.8 | 7% | 0.066 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.2 | -37.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y745 N767 L772 Q773 V774 | Y745-A770 HydrophobicContact CD1-CB 3.96Å; Y745-A770 HydrophobicContact CD2-CB 3.99Å; Y745-A770 HydrophobicContact CE1-CB 3.87Å; Y745-A770 HydrophobicContact CE2-CB 3.89Å; Y745-A770 HydrophobicContact CG-CB 4.04Å; N767-A770 HydrophobicContact CB-CB 4.27Å; N767-A770 PolarHBondContact O-N 3.45Å; N767-A770 PolarHBondContact OD1-N 2.82Å; N767-A770 VanDerWaalsContact OD1-N 3.12Å; A770-L772 PolarHBondContact O-N 3.09Å; A770-Q773 PolarHBondContact O-N 2.94Å; A770-V774 WeakPolarHBondContact O-CG2 3.32Å; A770-V774 PolarHBondContact O-N 3.4Å; A770-V774 VanDerWaalsContact O-N 3.13Å |
| 771 | A | 85.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L742 L746 N767 L768 Q769 V774 L775 | L742-A771 HydrophobicContact CD1-CB 3.81Å; L742-A771 WeakPolarHBondContact CD1-O 3.24Å; L746-A771 HydrophobicContact CD1-CB 4.25Å; L746-A771 HydrophobicContact CD2-CB 3.49Å; L746-A771 VanDerWaalsContact CD2-CB 3.49Å; L746-A771 HydrophobicContact CG-CB 3.71Å; N767-A771 PolarHBondContact O-N 3.4Å; L768-A771 PolarHBondContact O-N 3.33Å; Q769-A771 VanDerWaalsContact C-N 3.34Å; A771-V774 PolarHBondContact O-N 2.86Å; A771-L775 WeakPolarHBondContact O-CG 3.43Å; A771-L775 PolarHBondContact O-N 3.27Å |
| 772 | L | 85.4 | Confident | 81.6 | Confident | 38 Ų | 38 | 66 Ų | 66 | 20% | 0.199 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 176.6 | -69.3 | 172.4 | 0 | 0 | 0 | 112.1 | L768 Q769 A770 L775 E776 D799 I800 | L768-L772 HydrophobicContact CG-CD1 4.26Å; L768-L772 WeakPolarHBondContact O-CG 3.45Å; L768-L772 PolarHBondContact O-N 2.95Å; Q769-L772 PolarHBondContact O-N 3.3Å; A770-L772 PolarHBondContact O-N 3.09Å; L772-L775 HydrophobicContact CD2-CD1 4.38Å; L772-L775 WeakPolarHBondContact O-CB 3.43Å; L772-L775 PolarHBondContact O-N 2.95Å; L772-E776 PolarHBondContact O-N 2.98Å; L772-D799 HydrophobicContact CD1-CB 4.15Å; L772-D799 HydrophobicContact CD2-CB 4.28Å; L772-I800 HydrophobicContact CD2-CG2 3.89Å |
| 773 | Q | 85.9 | Confident | 82.6 | Confident | 92 Ų | 92 | 61.6 Ų | 61.6 | 43% | 0.43 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 175.4 | -73.7 | 175.5 | -15.8 | 0 | 0 | 112.3 | Q769 A770 L775 E776 L777 | Q769-Q773 WeakPolarHBondContact O-CG 3.34Å; Q769-Q773 PolarHBondContact O-N 3.14Å; Q769-Q773 VanDerWaalsContact O-N 3.16Å; A770-Q773 PolarHBondContact O-N 2.94Å; Q773-L775 VanDerWaalsContact C-N 3.32Å; Q773-L775 PolarHBondContact O-N 3.32Å; Q773-E776 PolarHBondContact O-N 3.39Å; Q773-L777 WeakPolarHBondContact O-CB 3.29Å; Q773-L777 WeakPolarHBondContact O-CG 3.38Å; Q773-L777 PolarHBondContact O-N 2.99Å |
| 774 | V | 86.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 175.5 | 173 | 0 | 0 | 0 | 0 | 111.3 | Y738 L741 Y745 A770 A771 H778 L782 | Y738-V774 HydrophobicContact CD1-CG1 4.29Å; L741-V774 HydrophobicContact CD2-CG1 4.39Å; L741-V774 HydrophobicContact CD2-CG2 3.78Å; L741-V774 HydrophobicContact CG-CG2 4.38Å; Y745-V774 HydrophobicContact CD2-CG2 4.42Å; Y745-V774 HydrophobicContact CE2-CG2 4.01Å; A770-V774 WeakPolarHBondContact O-CG2 3.32Å; A770-V774 PolarHBondContact O-N 3.4Å; A770-V774 VanDerWaalsContact O-N 3.13Å; A771-V774 PolarHBondContact O-N 2.86Å; V774-H778 WeakPolarHBondContact O-CB 3.31Å; V774-H778 PolarHBondContact O-N 3.4Å; V774-L782 HydrophobicContact CG1-CD1 4.49Å |
| 775 | L | 86.3 | Confident | 84 | Confident | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 176.2 | -71.2 | 169.4 | 0 | 0 | 0 | 111.8 | L742 A771 L772 Q773 H779 L782 A787 L791 I800 F803 | L742-L775 HydrophobicContact CD1-CD1 4.26Å; L742-L775 HydrophobicContact CD1-CD2 4.22Å; L742-L775 HydrophobicContact CD1-CG 3.9Å; L742-L775 HydrophobicContact CD2-CD2 4.25Å; A771-L775 WeakPolarHBondContact O-CG 3.43Å; A771-L775 PolarHBondContact O-N 3.27Å; L772-L775 HydrophobicContact CD2-CD1 4.38Å; L772-L775 WeakPolarHBondContact O-CB 3.43Å; L772-L775 PolarHBondContact O-N 2.95Å; Q773-L775 VanDerWaalsContact C-N 3.32Å; Q773-L775 PolarHBondContact O-N 3.32Å; L775-H779 WeakPolarHBondContact O-CB 3.38Å; L775-H779 PolarHBondContact O-N 3.12Å; L775-L782 HydrophobicContact CD2-CD1 3.93Å; L775-A787 HydrophobicContact CD2-CB 3.96Å; L775-L791 HydrophobicContact CD1-CD1 4.32Å; L775-L791 HydrophobicContact CD1-CD2 3.9Å; L775-L791 HydrophobicContact CD1-CG 4.49Å; L775-I800 HydrophobicContact CD1-CG2 4.44Å; L775-F803 HydrophobicContact CB-CB 4.42Å; L775-F803 HydrophobicContact CB-CD2 4.19Å; L775-F803 HydrophobicContact CB-CG 4.29Å; L775-F803 HydrophobicContact CD2-CD2 4.36Å; L775-F803 HydrophobicContact CD2-CE2 4.15Å; L775-F803 HydrophobicContact CD2-CZ 4.22Å; L775-F803 VanDerWaalsContact O-CD2 3.24Å; L775-F803 WeakPolarHBondContact O-CD2 3.46Å |
| 776 | E | 85.8 | Confident | 84.5 | Confident | 79 Ų | 79 | 52.8 Ų | 52.8 | 37% | 0.369 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69.5 | -39.7 | -177.8 | -171.9 | 179 | 174.5 | 0 | 0 | 113.5 | L772 Q773 I802 K806 | L772-E776 PolarHBondContact O-N 2.98Å; Q773-E776 PolarHBondContact O-N 3.39Å; E776-I802 HydrophobicContact CG-CB 4.41Å; E776-I802 HydrophobicContact CG-CG2 3.81Å; E776-K806 PolarHBondContact O-NZ 2.83Å; E776-K806 VanDerWaalsContact O-NZ 3.13Å |
| 777 | L | 85.8 | Confident | 84.8 | Confident | 106 Ų | 106 | 49.6 Ų | 49.6 | 56% | 0.555 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -86.7 | -30 | -174.4 | -68.1 | 173.6 | 0 | 0 | 0 | 113.5 | Q773 | Q773-L777 WeakPolarHBondContact O-CB 3.29Å; Q773-L777 WeakPolarHBondContact O-CG 3.38Å; Q773-L777 PolarHBondContact O-N 2.99Å |
| 778 | H | 87.7 | Confident | 84.9 | Confident | 33 Ų | 33 | 49.7 Ų | 49.7 | 15% | 0.153 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -121.3 | 25.5 | -171.4 | -57.4 | -45.3 | 0 | 0 | 0 | 113.7 | Y738 V774 S780 K781 L782 | Y738-H778 HydrophobicContact CD1-CB 4.04Å; Y738-H778 AromaticContact CD1-CD2 3.69Å; Y738-H778 AromaticContact CD1-CG 3.98Å; Y738-H778 HydrophobicContact CE1-CB 4.04Å; Y738-H778 AromaticContact CE1-CD2 3.18Å; Y738-H778 WeakPolarHBondContact CE1-CD2 3.41Å; Y738-H778 AromaticContact CE1-CG 3.53Å; Y738-H778 AromaticContact CE1-NE2 3.61Å; Y738-H778 HydrophobicContact CG-CB 4.44Å; Y738-H778 AromaticContact CZ-CD2 3.99Å; Y738-H778 AromaticContact CZ-CG 3.96Å; V774-H778 WeakPolarHBondContact O-CB 3.31Å; V774-H778 PolarHBondContact O-N 3.4Å; H778-S780 VanDerWaalsContact C-N 3.27Å; H778-S780 PolarHBondContact O-N 3.18Å; H778-K781 PolarHBondContact O-N 3.32Å; H778-L782 PolarHBondContact O-N 3.29Å |
| 779 | H | 83.9 | Confident | 85.1 | Confident | 36 Ų | 36 | 53.1 Ų | 53.1 | 17% | 0.167 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -52.3 | -38.3 | -178.5 | 66 | 84.4 | 0 | 0 | 0 | 114.7 | L775 K781 L782 F803 K806 V807 E810 | L775-H779 WeakPolarHBondContact O-CB 3.38Å; L775-H779 PolarHBondContact O-N 3.12Å; H779-K781 PolarHBondContact O-N 3.11Å; H779-L782 PolarHBondContact O-N 3.22Å; H779-F803 HydrophobicContact CB-CD2 3.51Å; H779-F803 HydrophobicContact CB-CE2 3.74Å; H779-K806 VanDerWaalsContact CD2-CD 3.44Å; H779-K806 WeakPolarHBondContact CD2-CD 3.04Å; H779-K806 WeakPolarHBondContact NE2-CD 3.49Å; H779-V807 HydrophobicContact CB-CG2 4.09Å; H779-E810 IonicContact CE1-OE2 2.64Å; H779-E810 IonicContact ND1-OE2 2.75Å; H779-E810 PolarHBondContact ND1-OE2 3.5Å |
| 780 | S | 81.6 | Confident | 85.2 | Confident | 54 Ų | 54 | 48.6 Ų | 48.6 | 38% | 0.378 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -71.8 | -19.5 | -178.3 | 57.6 | 0 | 0 | 0 | 0 | 113.2 | H778 E810 | H778-S780 VanDerWaalsContact C-N 3.27Å; H778-S780 PolarHBondContact O-N 3.18Å; S780-E810 WeakPolarHBondContact CA-OE2 3.25Å; S780-E810 WeakPolarHBondContact CB-OE2 3.45Å |
| 781 | K | 83.8 | Confident | 85.2 | Confident | 51 Ų | 51 | 49.4 Ų | 49.4 | 22% | 0.222 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -99.4 | -3 | -177.4 | -62.6 | -173 | 179.6 | -174.2 | 0 | 113.3 | Y727 Y738 H778 H779 | Y727-K781 HydrophobicContact CD1-CB 4.33Å; Y727-K781 HydrophobicContact CD1-CD 3.68Å; Y727-K781 HydrophobicContact CD1-CG 4.06Å; Y727-K781 HydrophobicContact CD2-CB 4.3Å; Y727-K781 HydrophobicContact CE1-CB 3.8Å; Y727-K781 HydrophobicContact CE1-CD 3.77Å; Y727-K781 HydrophobicContact CE1-CG 3.6Å; Y727-K781 HydrophobicContact CE2-CB 3.78Å; Y727-K781 HydrophobicContact CE2-CG 4.49Å; Y727-K781 WeakPolarHBondContact CE2-O 3.16Å; Y727-K781 HydrophobicContact CG-CD 4.16Å; Y727-K781 VanDerWaalsContact CZ-CB 3.49Å; Y727-K781 VanDerWaalsContact OH-CA 3.29Å; Y727-K781 WeakPolarHBondContact OH-CA 3.47Å; Y727-K781 PolarHBondContact OH-O 3.18Å; Y738-K781 HydrophobicContact CD2-CB 4Å; Y738-K781 HydrophobicContact CD2-CD 4.21Å; Y738-K781 HydrophobicContact CE2-CB 4.18Å; Y738-K781 HydrophobicContact CE2-CD 3.52Å; H778-K781 PolarHBondContact O-N 3.32Å; H779-K781 PolarHBondContact O-N 3.11Å |
| 782 | L | 84.4 | Confident | 85.1 | Confident | 15 Ų | 15 | 51.7 Ų | 51.7 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -106.9 | 142.9 | -176.7 | -77.4 | 167.1 | 0 | 0 | 0 | 111.8 | L739 V774 L775 H778 H779 T784 | L739-L782 HydrophobicContact CB-CD2 4.26Å; V774-L782 HydrophobicContact CG1-CD1 4.49Å; L775-L782 HydrophobicContact CD2-CD1 3.93Å; H778-L782 PolarHBondContact O-N 3.29Å; H779-L782 PolarHBondContact O-N 3.22Å; L782-T784 PolarHBondContact O-N 3.37Å |
| 783 | D | 84.8 | Confident | 84.9 | Confident | 59 Ų | 59 | 55.4 Ų | 55.4 | 32% | 0.316 | 31% | 0.309 | S | S | . | . | trans | -71.7 | 113 | 164.4 | -174.7 | -33.6 | 0 | 0 | 0 | 108.9 | T785 K786 A787 | D783-T785 VanDerWaalsContact C-N 3.29Å; D783-T785 PolarHBondContact O-N 3.37Å; D783-T785 PolarHBondContact OD1-N 3.02Å; D783-T785 PolarHBondContact OD1-OG1 3.22Å; D783-K786 HydrophobicContact CB-CB 4.11Å; D783-K786 HydrophobicContact CB-CD 3.97Å; D783-K786 HydrophobicContact CB-CG 4.05Å; D783-K786 PolarHBondContact O-N 3.29Å; D783-K786 PolarHBondContact OD1-N 3.03Å; D783-K786 VanDerWaalsContact OD2-CE 3.27Å; D783-K786 WeakPolarHBondContact OD2-CE 3.29Å; D783-K786 IonicContact OD2-NZ 2.82Å; D783-A787 VanDerWaalsContact O-CB 3.29Å; D783-A787 WeakPolarHBondContact O-CB 3.23Å; D783-A787 PolarHBondContact O-N 3.19Å | ||
| 784 | T | 85 | Confident | 84.7 | Confident | 44 Ų | 44 | 57.5 Ų | 57.5 | 27% | 0.27 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.5 | -37.7 | -173.4 | 58.8 | 0 | 0 | 0 | 0 | 112.1 | L782 L788 F803 V807 | L782-T784 PolarHBondContact O-N 3.37Å; T784-L788 VanDerWaalsContact O-CG 3.24Å; T784-L788 WeakPolarHBondContact O-CG 3.24Å; T784-L788 PolarHBondContact O-N 3.18Å; T784-L788 VanDerWaalsContact O-N 3.16Å; T784-F803 HydrophobicContact CG2-CZ 4.34Å; T784-V807 HydrophobicContact CG2-CB 4.26Å; T784-V807 HydrophobicContact CG2-CG1 3.38Å; T784-V807 HydrophobicContact CG2-CG2 3.79Å |
| 785 | T | 85.3 | Confident | 84.6 | Confident | 86 Ų | 86 | 58.8 Ų | 58.8 | 53% | 0.528 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -70.7 | -44.5 | -179.1 | 64.1 | 0 | 0 | 0 | 0 | 111 | D783 N789 | D783-T785 VanDerWaalsContact C-N 3.29Å; D783-T785 PolarHBondContact O-N 3.37Å; D783-T785 PolarHBondContact OD1-N 3.02Å; D783-T785 PolarHBondContact OD1-OG1 3.22Å; T785-N789 VanDerWaalsContact O-CG 3.23Å; T785-N789 PolarHBondContact O-N 3.47Å; T785-N789 PolarHBondContact O-ND2 3.33Å |
| 786 | K | 85.2 | Confident | 84.7 | Confident | 65 Ų | 65 | 64.8 Ų | 64.8 | 28% | 0.283 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.1 | -40.7 | 178.1 | -61.7 | -177.6 | -166.6 | 169 | 0 | 111.7 | D736 L739 D783 N789 L790 | D736-K786 VanDerWaalsContact CG-NZ 3.26Å; D736-K786 IonicContact OD1-NZ 2.76Å; D736-K786 PolarHBondContact OD1-NZ 3.26Å; D736-K786 IonicContact OD2-NZ 3.94Å; D736-K786 PolarHBondContact OD2-NZ 3.12Å; L739-K786 HydrophobicContact CD1-CB 3.7Å; L739-K786 HydrophobicContact CD2-CB 3.9Å; L739-K786 HydrophobicContact CD2-CD 3.7Å; L739-K786 HydrophobicContact CD2-CG 4.46Å; L739-K786 HydrophobicContact CG-CB 4.48Å; D783-K786 HydrophobicContact CB-CB 4.11Å; D783-K786 HydrophobicContact CB-CD 3.97Å; D783-K786 HydrophobicContact CB-CG 4.05Å; D783-K786 PolarHBondContact O-N 3.29Å; D783-K786 PolarHBondContact OD1-N 3.03Å; D783-K786 VanDerWaalsContact OD2-CE 3.27Å; D783-K786 WeakPolarHBondContact OD2-CE 3.29Å; D783-K786 IonicContact OD2-NZ 2.82Å; K786-N789 PolarHBondContact O-N 3Å; K786-L790 WeakPolarHBondContact O-CG 3.45Å; K786-L790 PolarHBondContact O-N 3.18Å |
| 787 | A | 85.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L739 L742 L775 D783 N789 L790 F803 | L739-A787 HydrophobicContact CD1-CB 4.36Å; L742-A787 HydrophobicContact CD2-CB 4.28Å; L775-A787 HydrophobicContact CD2-CB 3.96Å; D783-A787 VanDerWaalsContact O-CB 3.29Å; D783-A787 WeakPolarHBondContact O-CB 3.23Å; D783-A787 PolarHBondContact O-N 3.19Å; A787-N789 PolarHBondContact O-N 3.47Å; A787-L790 PolarHBondContact O-N 3.37Å; A787-F803 HydrophobicContact CB-CZ 4.46Å |
| 788 | L | 85.1 | Confident | 84.7 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 36% | 0.361 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.1 | -37.5 | 176.5 | -70.2 | 173.2 | 0 | 0 | 0 | 112.6 | T784 L790 L791 I800 F803 L804 | T784-L788 VanDerWaalsContact O-CG 3.24Å; T784-L788 WeakPolarHBondContact O-CG 3.24Å; T784-L788 PolarHBondContact O-N 3.18Å; T784-L788 VanDerWaalsContact O-N 3.16Å; L788-L790 PolarHBondContact O-N 2.96Å; L788-L791 HydrophobicContact CD2-CD1 4.14Å; L788-L791 PolarHBondContact O-N 3.33Å; L788-I800 HydrophobicContact CD2-CD1 3.91Å; L788-F803 HydrophobicContact CD2-CE1 4.22Å; L788-F803 HydrophobicContact CG-CE1 4.45Å; L788-L804 HydrophobicContact CD1-CD2 4.43Å; L788-L804 HydrophobicContact CD2-CD2 4.33Å |
| 789 | N | 86.4 | Confident | 84.5 | Confident | 140 Ų | 140 | 69.9 Ų | 69.9 | 75% | 0.749 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -67.9 | -20.6 | 177.6 | -71.5 | -22.3 | 0 | 0 | 0 | 113.7 | T785 K786 A787 | T785-N789 VanDerWaalsContact O-CG 3.23Å; T785-N789 PolarHBondContact O-N 3.47Å; T785-N789 PolarHBondContact O-ND2 3.33Å; K786-N789 PolarHBondContact O-N 3Å; A787-N789 PolarHBondContact O-N 3.47Å |
| 790 | L | 85.4 | Confident | 84.7 | Confident | 43 Ų | 43 | 69 Ų | 69 | 23% | 0.225 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -86.4 | -15.1 | 178.3 | -70.9 | 174.4 | 0 | 0 | 0 | 113.3 | L739 L742 R743 L746 K786 A787 L788 | L739-L790 HydrophobicContact CD1-CD1 3.48Å; L739-L790 VanDerWaalsContact CD1-CD1 3.48Å; L739-L790 HydrophobicContact CD2-CD1 4.37Å; L739-L790 HydrophobicContact CG-CD1 3.67Å; L742-L790 HydrophobicContact CD2-CB 4.18Å; L742-L790 HydrophobicContact CD2-CD1 4.1Å; R743-L790 HydrophobicContact CG-CD1 3.59Å; R743-L790 HydrophobicContact CG-CD2 3.83Å; R743-L790 HydrophobicContact CG-CG 4.36Å; L746-L790 HydrophobicContact CD1-CB 4.41Å; L746-L790 WeakPolarHBondContact CD1-O 3.15Å; K786-L790 WeakPolarHBondContact O-CG 3.45Å; K786-L790 PolarHBondContact O-N 3.18Å; A787-L790 PolarHBondContact O-N 3.37Å; L788-L790 PolarHBondContact O-N 2.96Å |
| 791 | L | 84.6 | Confident | 85 | Confident | 25 Ų | 25 | 73 Ų | 73 | 13% | 0.131 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -70.6 | 137.4 | 179.9 | -72.8 | 172 | 0 | 0 | 0 | 110.9 | L746 L775 L788 T795 I800 | L746-L791 HydrophobicContact CD1-CD2 4.05Å; L775-L791 HydrophobicContact CD1-CD1 4.32Å; L775-L791 HydrophobicContact CD1-CD2 3.9Å; L775-L791 HydrophobicContact CD1-CG 4.49Å; L788-L791 HydrophobicContact CD2-CD1 4.14Å; L788-L791 PolarHBondContact O-N 3.33Å; L791-T795 HydrophobicContact CD2-CG2 4.4Å; L791-I800 HydrophobicContact CD1-CD1 4.27Å; L791-I800 HydrophobicContact CD1-CG2 3.83Å |
| 792 | P | 83.4 | Confident | 85.1 | Confident | 48 Ų | 48 | 74.1 Ų | 74.1 | 31% | 0.312 | 40% | 0.4 | S | S | . | . | trans | -55.2 | 141.3 | 170.8 | -28 | 36.8 | 0 | 0 | 0 | 112 | L746 N794 T795 | L746-P792 HydrophobicContact CD2-CG 4.38Å; P792-N794 WeakPolarHBondContact CB-OD1 3.44Å; P792-N794 PolarHBondContact O-N 3.47Å; P792-T795 WeakPolarHBondContact O-CB 3.38Å; P792-T795 PolarHBondContact O-N 3.13Å; P792-T795 PolarHBondContact O-OG1 3.39Å | ||
| 793 | A | 81.3 | Confident | 85.2 | Confident | 116 Ų | 116 | 73.6 Ų | 73.6 | 96% | 0.959 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -15.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 794 | N | 82.3 | Confident | 85.3 | Confident | 137 Ų | 137 | 73.4 Ų | 73.4 | 73% | 0.733 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 2.5 | 176.5 | 62 | -29.8 | 0 | 0 | 0 | 114.1 | P792 | P792-N794 WeakPolarHBondContact CB-OD1 3.44Å; P792-N794 PolarHBondContact O-N 3.47Å |
| 795 | T | 83.9 | Confident | 85.5 | Confident | 27 Ų | 27 | 75.3 Ų | 75.3 | 17% | 0.166 | 40% | 0.402 | C | S | . | . | trans | -68.6 | 128.1 | 177.1 | -48.8 | 0 | 0 | 0 | 0 | 110.1 | L791 P792 I800 | L791-T795 HydrophobicContact CD2-CG2 4.4Å; P792-T795 WeakPolarHBondContact O-CB 3.38Å; P792-T795 PolarHBondContact O-N 3.13Å; P792-T795 PolarHBondContact O-OG1 3.39Å; T795-I800 HydrophobicContact CG2-CG2 4.28Å | ||
| 796 | Q | 86.9 | Confident | 85.6 | Confident | 127 Ų | 127 | 74.5 Ų | 74.5 | 59% | 0.593 | 39% | 0.391 | S | S | * | . | trans | -76.8 | 141.9 | 179.9 | -54 | -173.1 | 11.3 | 0 | 0 | 110.6 | N798 D799 | Q796-N798 PolarHBondContact O-N 2.91Å; Q796-N798 VanDerWaalsContact O-N 3.17Å; Q796-D799 WeakPolarHBondContact CB-OD2 3.18Å; Q796-D799 PolarHBondContact N-OD2 2.68Å; Q796-D799 WeakPolarHBondContact O-CB 3.37Å; Q796-D799 PolarHBondContact O-N 2.83Å | ||
| 797 | I | 84.3 | Confident | 85.8 | Confident | 133 Ų | 133 | 72 Ų | 72 | 68% | 0.682 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -58.5 | -32.1 | 176.9 | -63.3 | 173.9 | 0 | 0 | 0 | 111.2 | D799 I800 R801 | I797-D799 PolarHBondContact O-N 3.2Å; I797-I800 WeakPolarHBondContact O-CG1 3.4Å; I797-I800 PolarHBondContact O-N 3.43Å; I797-R801 PolarHBondContact O-N 3.24Å; I797-R801 VanDerWaalsContact O-N 3.13Å |
| 798 | N | 87.3 | Confident | 85.9 | Confident | 114 Ų | 114 | 77.8 Ų | 77.8 | 61% | 0.61 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -61.2 | -33.1 | 177.6 | -164.3 | 49.6 | 0 | 0 | 0 | 112.5 | Q796 I800 R801 | Q796-N798 PolarHBondContact O-N 2.91Å; Q796-N798 VanDerWaalsContact O-N 3.17Å; N798-I800 VanDerWaalsContact C-N 3.29Å; N798-I800 PolarHBondContact O-N 2.86Å; N798-R801 WeakPolarHBondContact O-CB 3.13Å; N798-R801 PolarHBondContact O-N 3.22Å |
| 799 | D | 84.4 | Confident | 86.1 | Confident | 78 Ų | 78 | 80.4 Ų | 80.4 | 42% | 0.417 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -73 | -22.1 | -178.4 | -56.2 | -30.6 | 0 | 0 | 0 | 112.4 | L772 Q796 I797 | L772-D799 HydrophobicContact CD1-CB 4.15Å; L772-D799 HydrophobicContact CD2-CB 4.28Å; Q796-D799 WeakPolarHBondContact CB-OD2 3.18Å; Q796-D799 PolarHBondContact N-OD2 2.68Å; Q796-D799 WeakPolarHBondContact O-CB 3.37Å; Q796-D799 PolarHBondContact O-N 2.83Å; I797-D799 PolarHBondContact O-N 3.2Å |
| 800 | I | 87 | Confident | 86.1 | Confident | 17 Ų | 17 | 75.7 Ų | 75.7 | 9% | 0.087 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -109.7 | 7.7 | 178.3 | 60.9 | 169.1 | 0 | 0 | 0 | 113.2 | L772 L775 L788 L791 T795 I797 N798 I802 F803 L804 | L772-I800 HydrophobicContact CD2-CG2 3.89Å; L775-I800 HydrophobicContact CD1-CG2 4.44Å; L788-I800 HydrophobicContact CD2-CD1 3.91Å; L791-I800 HydrophobicContact CD1-CD1 4.27Å; L791-I800 HydrophobicContact CD1-CG2 3.83Å; T795-I800 HydrophobicContact CG2-CG2 4.28Å; I797-I800 WeakPolarHBondContact O-CG1 3.4Å; I797-I800 PolarHBondContact O-N 3.43Å; N798-I800 VanDerWaalsContact C-N 3.29Å; N798-I800 PolarHBondContact O-N 2.86Å; I800-I802 PolarHBondContact O-N 3.14Å; I800-F803 WeakPolarHBondContact O-CB 3.37Å; I800-F803 PolarHBondContact O-N 3.15Å; I800-L804 HydrophobicContact CD1-CD1 4.04Å; I800-L804 HydrophobicContact CD1-CG 4.45Å; I800-L804 HydrophobicContact CG1-CD1 4.16Å; I800-L804 PolarHBondContact O-N 2.88Å |
| 801 | R | 88.4 | Confident | 86.2 | Confident | 138 Ų | 138 | 77.6 Ų | 77.6 | 52% | 0.521 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -54.9 | -49.2 | -176.5 | 177.6 | -178.2 | 170.7 | -169 | -6.3 | 112.2 | I797 N798 F803 L804 E805 | I797-R801 PolarHBondContact O-N 3.24Å; I797-R801 VanDerWaalsContact O-N 3.13Å; N798-R801 WeakPolarHBondContact O-CB 3.13Å; N798-R801 PolarHBondContact O-N 3.22Å; R801-F803 VanDerWaalsContact C-N 3.3Å; R801-F803 PolarHBondContact O-N 2.86Å; R801-L804 PolarHBondContact O-N 3.24Å; R801-E805 HydrophobicContact CG-CG 4.46Å; R801-E805 IonicContact CZ-OE1 3.39Å; R801-E805 IonicContact NE-OE1 2.79Å; R801-E805 PolarHBondContact NE-OE1 2.99Å; R801-E805 IonicContact NH2-OE1 3.06Å; R801-E805 PolarHBondContact NH2-OE1 3.48Å; R801-E805 WeakPolarHBondContact O-CG 3.35Å; R801-E805 PolarHBondContact O-N 3.34Å |
| 802 | I | 86.4 | Confident | 86.4 | Confident | 75 Ų | 75 | 78.5 Ų | 78.5 | 39% | 0.385 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.3 | -40.1 | -177.5 | -59.5 | 174.1 | 0 | 0 | 0 | 110.7 | E776 I800 K806 | E776-I802 HydrophobicContact CG-CB 4.41Å; E776-I802 HydrophobicContact CG-CG2 3.81Å; I800-I802 PolarHBondContact O-N 3.14Å; I802-K806 HydrophobicContact CG2-CD 4.29Å; I802-K806 WeakPolarHBondContact O-CG 3.29Å; I802-K806 PolarHBondContact O-N 3.34Å; I802-K806 VanDerWaalsContact O-N 3.14Å |
| 803 | F | 86.7 | Confident | 86.8 | Confident | 4 Ų | 4 | 82 Ų | 82 | 2% | 0.018 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -61.2 | -48.8 | 175.3 | 167.3 | -107.3 | 0 | 0 | 0 | 111.7 | L775 H779 T784 A787 L788 I800 R801 K806 V807 | L775-F803 HydrophobicContact CB-CB 4.42Å; L775-F803 HydrophobicContact CB-CD2 4.19Å; L775-F803 HydrophobicContact CB-CG 4.29Å; L775-F803 HydrophobicContact CD2-CD2 4.36Å; L775-F803 HydrophobicContact CD2-CE2 4.15Å; L775-F803 HydrophobicContact CD2-CZ 4.22Å; L775-F803 VanDerWaalsContact O-CD2 3.24Å; L775-F803 WeakPolarHBondContact O-CD2 3.46Å; H779-F803 HydrophobicContact CB-CD2 3.51Å; H779-F803 HydrophobicContact CB-CE2 3.74Å; T784-F803 HydrophobicContact CG2-CZ 4.34Å; A787-F803 HydrophobicContact CB-CZ 4.46Å; L788-F803 HydrophobicContact CD2-CE1 4.22Å; L788-F803 HydrophobicContact CG-CE1 4.45Å; I800-F803 WeakPolarHBondContact O-CB 3.37Å; I800-F803 PolarHBondContact O-N 3.15Å; R801-F803 VanDerWaalsContact C-N 3.3Å; R801-F803 PolarHBondContact O-N 2.86Å; F803-K806 PolarHBondContact O-N 2.64Å; F803-V807 HydrophobicContact CD2-CG2 4.01Å; F803-V807 HydrophobicContact CE1-CG2 4.46Å; F803-V807 HydrophobicContact CE2-CG2 3.66Å; F803-V807 HydrophobicContact CZ-CG2 3.91Å; F803-V807 WeakPolarHBondContact O-CB 3.35Å; F803-V807 VanDerWaalsContact O-CG2 3.25Å; F803-V807 WeakPolarHBondContact O-CG2 3.34Å; F803-V807 PolarHBondContact O-N 2.85Å |
| 804 | L | 87.5 | Confident | 87 | Confident | 55 Ų | 55 | 80.8 Ų | 80.8 | 29% | 0.288 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | -179.2 | -67.8 | 176.2 | 0 | 0 | 0 | 112.6 | L788 I800 R801 L808 | L788-L804 HydrophobicContact CD1-CD2 4.43Å; L788-L804 HydrophobicContact CD2-CD2 4.33Å; I800-L804 HydrophobicContact CD1-CD1 4.04Å; I800-L804 HydrophobicContact CD1-CG 4.45Å; I800-L804 HydrophobicContact CG1-CD1 4.16Å; I800-L804 PolarHBondContact O-N 2.88Å; R801-L804 PolarHBondContact O-N 3.24Å; L804-L808 WeakPolarHBondContact O-CB 3.37Å; L804-L808 VanDerWaalsContact O-CG 3.3Å; L804-L808 WeakPolarHBondContact O-CG 3.44Å; L804-L808 PolarHBondContact O-N 3Å; L804-L808 VanDerWaalsContact O-N 3.09Å |
| 805 | E | 89.2 | Confident | 87.5 | Confident | 85 Ų | 85 | 80.9 Ų | 80.9 | 40% | 0.397 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.1 | -52.2 | 176.6 | -74.5 | 175.7 | 175.2 | 0 | 0 | 110.8 | R801 V807 L808 E809 | R801-E805 HydrophobicContact CG-CG 4.46Å; R801-E805 IonicContact CZ-OE1 3.39Å; R801-E805 IonicContact NE-OE1 2.79Å; R801-E805 PolarHBondContact NE-OE1 2.99Å; R801-E805 IonicContact NH2-OE1 3.06Å; R801-E805 PolarHBondContact NH2-OE1 3.48Å; R801-E805 WeakPolarHBondContact O-CG 3.35Å; R801-E805 PolarHBondContact O-N 3.34Å; E805-V807 PolarHBondContact O-N 3.33Å; E805-L808 PolarHBondContact O-N 3.32Å; E805-E809 WeakPolarHBondContact O-CG 3.3Å; E805-E809 PolarHBondContact O-N 3.13Å; E805-E809 VanDerWaalsContact O-N 3.08Å |
| 806 | K | 87 | Confident | 87.9 | Confident | 68 Ų | 68 | 88 Ų | 88 | 30% | 0.296 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.7 | -41 | -179.7 | -69.6 | -175.1 | -172 | 174.2 | 0 | 113.1 | E776 H779 I802 F803 E810 | E776-K806 PolarHBondContact O-NZ 2.83Å; E776-K806 VanDerWaalsContact O-NZ 3.13Å; H779-K806 VanDerWaalsContact CD2-CD 3.44Å; H779-K806 WeakPolarHBondContact CD2-CD 3.04Å; H779-K806 WeakPolarHBondContact NE2-CD 3.49Å; I802-K806 HydrophobicContact CG2-CD 4.29Å; I802-K806 WeakPolarHBondContact O-CG 3.29Å; I802-K806 PolarHBondContact O-N 3.34Å; I802-K806 VanDerWaalsContact O-N 3.14Å; F803-K806 PolarHBondContact O-N 2.64Å; K806-E810 WeakPolarHBondContact O-CB 3.43Å; K806-E810 PolarHBondContact O-N 2.99Å; K806-E810 VanDerWaalsContact O-N 3.07Å |
| 807 | V | 88.6 | Confident | 88.2 | Confident | 13 Ų | 13 | 88.3 Ų | 88.3 | 8% | 0.079 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 177.6 | 164.2 | 0 | 0 | 0 | 0 | 112 | H779 T784 F803 E805 N811 | H779-V807 HydrophobicContact CB-CG2 4.09Å; T784-V807 HydrophobicContact CG2-CB 4.26Å; T784-V807 HydrophobicContact CG2-CG1 3.38Å; T784-V807 HydrophobicContact CG2-CG2 3.79Å; F803-V807 HydrophobicContact CD2-CG2 4.01Å; F803-V807 HydrophobicContact CE1-CG2 4.46Å; F803-V807 HydrophobicContact CE2-CG2 3.66Å; F803-V807 HydrophobicContact CZ-CG2 3.91Å; F803-V807 WeakPolarHBondContact O-CB 3.35Å; F803-V807 VanDerWaalsContact O-CG2 3.25Å; F803-V807 WeakPolarHBondContact O-CG2 3.34Å; F803-V807 PolarHBondContact O-N 2.85Å; E805-V807 PolarHBondContact O-N 3.33Å; V807-N811 WeakPolarHBondContact O-CB 3.17Å; V807-N811 PolarHBondContact O-N 3.21Å; V807-N811 PolarHBondContact O-ND2 3.22Å; V807-N811 VanDerWaalsContact O-ND2 3.15Å |
| 808 | L | 88.4 | Confident | 88.6 | Confident | 122 Ų | 122 | 86.4 Ų | 86.4 | 64% | 0.639 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66.8 | -42.3 | -179.6 | -74 | 172.3 | 0 | 0 | 0 | 111.6 | L804 E805 N811 A812 | L804-L808 WeakPolarHBondContact O-CB 3.37Å; L804-L808 VanDerWaalsContact O-CG 3.3Å; L804-L808 WeakPolarHBondContact O-CG 3.44Å; L804-L808 PolarHBondContact O-N 3Å; L804-L808 VanDerWaalsContact O-N 3.09Å; E805-L808 PolarHBondContact O-N 3.32Å; L808-N811 PolarHBondContact O-N 3.23Å; L808-A812 WeakPolarHBondContact O-CB 3.4Å; L808-A812 PolarHBondContact O-N 3.46Å |
| 809 | E | 88.9 | Confident | 88.9 | Confident | 124 Ų | 124 | 86 Ų | 86 | 58% | 0.579 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.8 | -47.8 | 175.5 | -73.5 | -178.7 | 177.5 | 0 | 0 | 111.8 | E805 N811 A812 Q813 | E805-E809 WeakPolarHBondContact O-CG 3.3Å; E805-E809 PolarHBondContact O-N 3.13Å; E805-E809 VanDerWaalsContact O-N 3.08Å; E809-N811 PolarHBondContact O-N 3.42Å; E809-A812 PolarHBondContact O-N 3.04Å; E809-Q813 WeakPolarHBondContact O-CG 3.45Å; E809-Q813 PolarHBondContact O-N 2.85Å |
| 810 | E | 86.6 | Confident | 89.4 | Confident | 40 Ų | 40 | 86.3 Ų | 86.3 | 19% | 0.187 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | -179.8 | -168.4 | -177.6 | 161.7 | 0 | 0 | 112 | H779 S780 K806 A812 Q813 K814 | H779-E810 IonicContact CE1-OE2 2.64Å; H779-E810 IonicContact ND1-OE2 2.75Å; H779-E810 PolarHBondContact ND1-OE2 3.5Å; S780-E810 WeakPolarHBondContact CA-OE2 3.25Å; S780-E810 WeakPolarHBondContact CB-OE2 3.45Å; K806-E810 WeakPolarHBondContact O-CB 3.43Å; K806-E810 PolarHBondContact O-N 2.99Å; K806-E810 VanDerWaalsContact O-N 3.07Å; E810-A812 VanDerWaalsContact C-N 3.35Å; E810-A812 PolarHBondContact O-N 3.4Å; E810-Q813 PolarHBondContact O-N 3.42Å; E810-K814 HydrophobicContact CG-CD 4.46Å; E810-K814 WeakPolarHBondContact O-CG 3.41Å; E810-K814 PolarHBondContact O-N 3.36Å; E810-K814 WeakPolarHBondContact OE1-CE 3.44Å; E810-K814 IonicContact OE1-NZ 2.85Å; E810-K814 PolarHBondContact OE1-NZ 3.06Å |
| 811 | N | 86.3 | Confident | 89.8 | Confident | 84 Ų | 84 | 89 Ų | 89 | 45% | 0.449 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 176 | -77.6 | -34.6 | 0 | 0 | 0 | 112.3 | V807 L808 E809 K815 | V807-N811 WeakPolarHBondContact O-CB 3.17Å; V807-N811 PolarHBondContact O-N 3.21Å; V807-N811 PolarHBondContact O-ND2 3.22Å; V807-N811 VanDerWaalsContact O-ND2 3.15Å; L808-N811 PolarHBondContact O-N 3.23Å; E809-N811 PolarHBondContact O-N 3.42Å; N811-K815 WeakPolarHBondContact O-CB 3.39Å; N811-K815 PolarHBondContact O-N 3.09Å |
| 812 | A | 90.6 | Very high | 90.1 | Very high | 43 Ų | 43 | 89.7 Ų | 89.7 | 36% | 0.355 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L808 E809 E810 R816 | L808-A812 WeakPolarHBondContact O-CB 3.4Å; L808-A812 PolarHBondContact O-N 3.46Å; E809-A812 PolarHBondContact O-N 3.04Å; E810-A812 VanDerWaalsContact C-N 3.35Å; E810-A812 PolarHBondContact O-N 3.4Å; A812-R816 WeakPolarHBondContact O-CG 3.48Å; A812-R816 PolarHBondContact O-N 3.07Å; A812-R816 VanDerWaalsContact O-N 3.17Å |
| 813 | Q | 89.9 | Confident | 90.4 | Very high | 123 Ų | 123 | 91.3 Ų | 91.3 | 58% | 0.575 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.1 | -49.3 | 175.4 | -70.6 | 176.6 | 3.4 | 0 | 0 | 111.9 | E809 E810 K815 R816 F817 | E809-Q813 WeakPolarHBondContact O-CG 3.45Å; E809-Q813 PolarHBondContact O-N 2.85Å; E810-Q813 PolarHBondContact O-N 3.42Å; Q813-K815 VanDerWaalsContact C-N 3.29Å; Q813-K815 PolarHBondContact O-N 3.4Å; Q813-R816 PolarHBondContact O-N 3.47Å; Q813-R816 VanDerWaalsContact O-N 3.13Å; Q813-F817 PolarHBondContact O-N 2.98Å |
| 814 | K | 87.4 | Confident | 90.8 | Very high | 89 Ų | 89 | 96.3 Ų | 96.3 | 39% | 0.387 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -56.3 | -42.7 | 176.7 | -76.5 | 176.4 | -176.3 | 165.3 | 0 | 111.9 | E810 F817 N818 | E810-K814 HydrophobicContact CG-CD 4.46Å; E810-K814 WeakPolarHBondContact O-CG 3.41Å; E810-K814 PolarHBondContact O-N 3.36Å; E810-K814 WeakPolarHBondContact OE1-CE 3.44Å; E810-K814 IonicContact OE1-NZ 2.85Å; E810-K814 PolarHBondContact OE1-NZ 3.06Å; K814-F817 PolarHBondContact O-N 3.08Å; K814-N818 WeakPolarHBondContact O-CB 3.3Å; K814-N818 VanDerWaalsContact O-CG 3.3Å; K814-N818 PolarHBondContact O-N 3.28Å; K814-N818 PolarHBondContact O-ND2 2.89Å |
| 815 | K | 90.9 | Very high | 91.1 | Very high | 140 Ų | 140 | 98.2 Ų | 98.2 | 61% | 0.609 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.5 | -48.2 | 175.9 | -178 | -179.6 | 177.5 | -179.7 | 0 | 111.9 | N811 Q813 N818 Q819 | N811-K815 WeakPolarHBondContact O-CB 3.39Å; N811-K815 PolarHBondContact O-N 3.09Å; Q813-K815 VanDerWaalsContact C-N 3.29Å; Q813-K815 PolarHBondContact O-N 3.4Å; K815-N818 PolarHBondContact O-N 3.28Å; K815-Q819 WeakPolarHBondContact O-CG 3.49Å; K815-Q819 PolarHBondContact O-N 3.02Å; K815-Q819 VanDerWaalsContact O-N 3.1Å |
| 816 | R | 93.9 | Very high | 91.4 | Very high | 175 Ų | 175 | 99.3 Ų | 99.3 | 66% | 0.66 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.3 | -45.2 | 178.7 | -69.9 | 174.1 | -173.3 | 170.9 | 3.6 | 111.4 | A812 Q813 Q819 V820 | A812-R816 WeakPolarHBondContact O-CG 3.48Å; A812-R816 PolarHBondContact O-N 3.07Å; A812-R816 VanDerWaalsContact O-N 3.17Å; Q813-R816 PolarHBondContact O-N 3.47Å; Q813-R816 VanDerWaalsContact O-N 3.13Å; R816-Q819 PolarHBondContact O-N 3.01Å; R816-V820 PolarHBondContact O-N 3.24Å |
| 817 | F | 92.3 | Very high | 91.8 | Very high | 134 Ų | 134 | 98.7 Ų | 98.7 | 59% | 0.588 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.3 | -48.6 | 177.4 | -179.8 | -95.4 | 0 | 0 | 0 | 112.1 | Q813 K814 Q819 V820 L821 | Q813-F817 PolarHBondContact O-N 2.98Å; K814-F817 PolarHBondContact O-N 3.08Å; F817-Q819 VanDerWaalsContact C-N 3.27Å; F817-Q819 PolarHBondContact O-N 3.46Å; F817-V820 WeakPolarHBondContact O-CB 3.43Å; F817-V820 PolarHBondContact O-N 3.06Å; F817-V820 VanDerWaalsContact O-N 3.09Å; F817-L821 HydrophobicContact CE1-CD2 4.21Å; F817-L821 PolarHBondContact O-N 3.46Å |
| 818 | N | 92.2 | Very high | 92 | Very high | 94 Ų | 94 | 103.1 Ų | 103.1 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -31.9 | 179.7 | -74.3 | -22.5 | 0 | 0 | 0 | 112.8 | K814 K815 K822 | K814-N818 WeakPolarHBondContact O-CB 3.3Å; K814-N818 VanDerWaalsContact O-CG 3.3Å; K814-N818 PolarHBondContact O-N 3.28Å; K814-N818 PolarHBondContact O-ND2 2.89Å; K815-N818 PolarHBondContact O-N 3.28Å; N818-K822 VanDerWaalsContact O-CB 3.23Å; N818-K822 WeakPolarHBondContact O-CB 3.44Å; N818-K822 PolarHBondContact O-N 3.38Å |
| 819 | Q | 94.6 | Very high | 92.2 | Very high | 104 Ų | 104 | 103.1 Ų | 103.1 | 49% | 0.486 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 172.8 | -75.5 | 174.3 | -22.1 | 0 | 0 | 111.9 | K815 R816 F817 N823 | K815-Q819 WeakPolarHBondContact O-CG 3.49Å; K815-Q819 PolarHBondContact O-N 3.02Å; K815-Q819 VanDerWaalsContact O-N 3.1Å; R816-Q819 PolarHBondContact O-N 3.01Å; F817-Q819 VanDerWaalsContact C-N 3.27Å; F817-Q819 PolarHBondContact O-N 3.46Å; Q819-N823 VanDerWaalsContact O-CG 3.26Å; Q819-N823 PolarHBondContact O-N 3.33Å; Q819-N823 PolarHBondContact O-ND2 3.35Å |
| 820 | V | 95.4 | Very high | 92.5 | Very high | 86 Ų | 86 | 101.4 Ų | 101.4 | 52% | 0.521 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65 | -49.8 | 175.7 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | R816 F817 K822 N823 L824 | R816-V820 PolarHBondContact O-N 3.24Å; F817-V820 WeakPolarHBondContact O-CB 3.43Å; F817-V820 PolarHBondContact O-N 3.06Å; F817-V820 VanDerWaalsContact O-N 3.09Å; V820-K822 VanDerWaalsContact C-N 3.33Å; V820-K822 PolarHBondContact O-N 3.38Å; V820-N823 PolarHBondContact O-N 2.93Å; V820-N823 VanDerWaalsContact O-N 3.11Å; V820-L824 HydrophobicContact CG1-CD1 4.04Å; V820-L824 HydrophobicContact CG1-CG 4.44Å; V820-L824 WeakPolarHBondContact O-CG 3.44Å; V820-L824 PolarHBondContact O-N 3.42Å |
| 821 | L | 94.1 | Very high | 92.8 | Very high | 72 Ų | 72 | 106.3 Ų | 106.3 | 38% | 0.377 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.5 | -44.2 | 179.8 | -177.8 | 63 | 0 | 0 | 0 | 111.8 | F817 N823 L824 L825 | F817-L821 HydrophobicContact CE1-CD2 4.21Å; F817-L821 PolarHBondContact O-N 3.46Å; L821-N823 VanDerWaalsContact C-N 3.31Å; L821-N823 PolarHBondContact O-N 3.27Å; L821-L824 PolarHBondContact O-N 3.13Å; L821-L825 HydrophobicContact CD1-CD1 4.22Å; L821-L825 HydrophobicContact CD1-CG 4.24Å; L821-L825 HydrophobicContact CG-CD1 4Å; L821-L825 HydrophobicContact CG-CG 4.44Å; L821-L825 WeakPolarHBondContact O-CB 3.37Å; L821-L825 WeakPolarHBondContact O-CG 3.4Å; L821-L825 PolarHBondContact O-N 3.13Å |
| 822 | K | 94.4 | Very high | 93.1 | Very high | 153 Ų | 153 | 105.7 Ų | 105.7 | 67% | 0.665 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -56.4 | -45 | 175.5 | 179.6 | -176.7 | 175.7 | -177.5 | 0 | 111.7 | N818 V820 H826 | N818-K822 VanDerWaalsContact O-CB 3.23Å; N818-K822 WeakPolarHBondContact O-CB 3.44Å; N818-K822 PolarHBondContact O-N 3.38Å; V820-K822 VanDerWaalsContact C-N 3.33Å; V820-K822 PolarHBondContact O-N 3.38Å; K822-H826 WeakPolarHBondContact O-CB 3.5Å; K822-H826 PolarHBondContact O-N 3.17Å |
| 823 | N | 94.4 | Very high | 93.2 | Very high | 109 Ų | 109 | 106.9 Ų | 106.9 | 58% | 0.583 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.1 | -37.5 | -178.6 | -68.6 | -18.8 | 0 | 0 | 0 | 112 | Q819 V820 L821 H826 A827 | Q819-N823 VanDerWaalsContact O-CG 3.26Å; Q819-N823 PolarHBondContact O-N 3.33Å; Q819-N823 PolarHBondContact O-ND2 3.35Å; V820-N823 PolarHBondContact O-N 2.93Å; V820-N823 VanDerWaalsContact O-N 3.11Å; L821-N823 VanDerWaalsContact C-N 3.31Å; L821-N823 PolarHBondContact O-N 3.27Å; N823-H826 PolarHBondContact O-N 2.89Å; N823-A827 PolarHBondContact O-N 3.02Å |
| 824 | L | 94.8 | Very high | 93.4 | Very high | 110 Ų | 110 | 106.8 Ų | 106.8 | 58% | 0.576 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66 | -48.5 | 175.6 | -70.4 | 173.6 | 0 | 0 | 0 | 112.1 | V820 L821 H826 A827 E828 | V820-L824 HydrophobicContact CG1-CD1 4.04Å; V820-L824 HydrophobicContact CG1-CG 4.44Å; V820-L824 WeakPolarHBondContact O-CG 3.44Å; V820-L824 PolarHBondContact O-N 3.42Å; L821-L824 PolarHBondContact O-N 3.13Å; L824-H826 PolarHBondContact O-N 3.06Å; L824-A827 WeakPolarHBondContact O-CB 3.44Å; L824-A827 PolarHBondContact O-N 2.79Å; L824-A827 VanDerWaalsContact O-N 3.1Å; L824-E828 PolarHBondContact O-N 2.98Å |
| 825 | L | 93.6 | Very high | 93.5 | Very high | 95 Ų | 95 | 106.6 Ų | 106.6 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.2 | -35.8 | 176.4 | -71.5 | 172.9 | 0 | 0 | 0 | 111.6 | L821 E828 F829 | L821-L825 HydrophobicContact CD1-CD1 4.22Å; L821-L825 HydrophobicContact CD1-CG 4.24Å; L821-L825 HydrophobicContact CG-CD1 4Å; L821-L825 HydrophobicContact CG-CG 4.44Å; L821-L825 WeakPolarHBondContact O-CB 3.37Å; L821-L825 WeakPolarHBondContact O-CG 3.4Å; L821-L825 PolarHBondContact O-N 3.13Å; L825-E828 PolarHBondContact O-N 2.92Å; L825-F829 VanDerWaalsContact O-CB 3.32Å; L825-F829 WeakPolarHBondContact O-CB 3.43Å; L825-F829 PolarHBondContact O-N 3.33Å |
| 826 | H | 95.1 | Very high | 93.4 | Very high | 107 Ų | 107 | 106.7 Ų | 106.7 | 50% | 0.495 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 174.3 | -171.5 | 56.1 | 0 | 0 | 0 | 112.1 | K822 N823 L824 F829 L830 | K822-H826 WeakPolarHBondContact O-CB 3.5Å; K822-H826 PolarHBondContact O-N 3.17Å; N823-H826 PolarHBondContact O-N 2.89Å; L824-H826 PolarHBondContact O-N 3.06Å; H826-F829 PolarHBondContact O-N 3.24Å; H826-L830 VanDerWaalsContact O-CG 3.32Å; H826-L830 WeakPolarHBondContact O-CG 3.33Å; H826-L830 PolarHBondContact O-N 2.94Å |
| 827 | A | 94.7 | Very high | 93.3 | Very high | 56 Ų | 56 | 103 Ų | 103 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N823 L824 L830 R831 | N823-A827 PolarHBondContact O-N 3.02Å; L824-A827 WeakPolarHBondContact O-CB 3.44Å; L824-A827 PolarHBondContact O-N 2.79Å; L824-A827 VanDerWaalsContact O-N 3.1Å; A827-L830 PolarHBondContact O-N 3.48Å; A827-R831 PolarHBondContact O-N 3.31Å |
| 828 | E | 92.6 | Very high | 93 | Very high | 105 Ų | 105 | 100.8 Ų | 100.8 | 49% | 0.491 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 174.9 | -174.9 | 178.9 | -171.6 | 0 | 0 | 111.8 | L824 L825 L830 R831 V832 | L824-E828 PolarHBondContact O-N 2.98Å; L825-E828 PolarHBondContact O-N 2.92Å; E828-L830 VanDerWaalsContact C-N 3.28Å; E828-L830 PolarHBondContact O-N 3.09Å; E828-R831 WeakPolarHBondContact O-CB 3.41Å; E828-R831 PolarHBondContact O-N 3.01Å; E828-R831 VanDerWaalsContact O-N 3.1Å; E828-V832 HydrophobicContact CG-CG2 4.42Å; E828-V832 WeakPolarHBondContact O-CG2 3.5Å; E828-V832 PolarHBondContact O-N 3.1Å |
| 829 | F | 93.3 | Very high | 92.6 | Very high | 122 Ų | 122 | 103.2 Ų | 103.2 | 54% | 0.535 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55 | -45 | 175.1 | 170.7 | -98.5 | 0 | 0 | 0 | 111.7 | L825 H826 V832 Q833 | L825-F829 VanDerWaalsContact O-CB 3.32Å; L825-F829 WeakPolarHBondContact O-CB 3.43Å; L825-F829 PolarHBondContact O-N 3.33Å; H826-F829 PolarHBondContact O-N 3.24Å; F829-V832 PolarHBondContact O-N 2.95Å; F829-Q833 VanDerWaalsContact O-CB 3.26Å; F829-Q833 WeakPolarHBondContact O-CB 3.46Å; F829-Q833 PolarHBondContact O-N 3.38Å |
| 830 | L | 95.2 | Very high | 92 | Very high | 89 Ų | 89 | 104.7 Ų | 104.7 | 47% | 0.466 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 176.7 | -70 | 172.6 | 0 | 0 | 0 | 111.9 | H826 A827 E828 Q833 E834 | H826-L830 VanDerWaalsContact O-CG 3.32Å; H826-L830 WeakPolarHBondContact O-CG 3.33Å; H826-L830 PolarHBondContact O-N 2.94Å; A827-L830 PolarHBondContact O-N 3.48Å; E828-L830 VanDerWaalsContact C-N 3.28Å; E828-L830 PolarHBondContact O-N 3.09Å; L830-Q833 PolarHBondContact O-N 2.93Å; L830-E834 PolarHBondContact O-N 3.11Å |
| 831 | R | 93.8 | Very high | 91.4 | Very high | 143 Ų | 143 | 106.7 Ų | 106.7 | 54% | 0.54 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63 | -46.9 | 177.2 | -165.6 | -172.8 | 77 | 166.9 | 1.5 | 112.1 | A827 E828 Q833 E834 E835 | A827-R831 PolarHBondContact O-N 3.31Å; E828-R831 WeakPolarHBondContact O-CB 3.41Å; E828-R831 PolarHBondContact O-N 3.01Å; E828-R831 VanDerWaalsContact O-N 3.1Å; R831-Q833 VanDerWaalsContact C-N 3.26Å; R831-Q833 PolarHBondContact O-N 2.94Å; R831-E834 WeakPolarHBondContact O-CB 3.5Å; R831-E834 PolarHBondContact O-N 3.34Å; R831-E835 IonicContact NE-OE1 3.71Å; R831-E835 PolarHBondContact O-N 3.38Å |
| 832 | V | 92.1 | Very high | 90.6 | Very high | 71 Ų | 71 | 106.7 Ų | 106.7 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.8 | -36.3 | 177 | 173.4 | 0 | 0 | 0 | 0 | 110.8 | E828 F829 E835 R836 | E828-V832 HydrophobicContact CG-CG2 4.42Å; E828-V832 WeakPolarHBondContact O-CG2 3.5Å; E828-V832 PolarHBondContact O-N 3.1Å; F829-V832 PolarHBondContact O-N 2.95Å; V832-E835 PolarHBondContact O-N 2.9Å; V832-R836 WeakPolarHBondContact O-CB 3.22Å; V832-R836 PolarHBondContact O-N 3.35Å |
| 833 | Q | 92.9 | Very high | 89.8 | Confident | 67 Ų | 67 | 107.6 Ų | 107.6 | 31% | 0.313 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.4 | -39 | 176.1 | -172 | 164.5 | -1.4 | 0 | 0 | 111.9 | F829 L830 R831 R836 I837 | F829-Q833 VanDerWaalsContact O-CB 3.26Å; F829-Q833 WeakPolarHBondContact O-CB 3.46Å; F829-Q833 PolarHBondContact O-N 3.38Å; L830-Q833 PolarHBondContact O-N 2.93Å; R831-Q833 VanDerWaalsContact C-N 3.26Å; R831-Q833 PolarHBondContact O-N 2.94Å; Q833-R836 PolarHBondContact O-N 3.04Å; Q833-I837 HydrophobicContact CG-CD1 4.38Å; Q833-I837 WeakPolarHBondContact O-CD1 2.95Å; Q833-I837 VanDerWaalsContact O-CG1 3.26Å; Q833-I837 WeakPolarHBondContact O-CG1 3.48Å; Q833-I837 PolarHBondContact O-N 3.28Å |
| 834 | E | 93.3 | Very high | 88.9 | Confident | 122 Ų | 122 | 104.5 Ų | 104.5 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.4 | -50.3 | 171.8 | -177.7 | -179.9 | -161.4 | 0 | 0 | 111.6 | L830 R831 R836 I837 L838 | L830-E834 PolarHBondContact O-N 3.11Å; R831-E834 WeakPolarHBondContact O-CB 3.5Å; R831-E834 PolarHBondContact O-N 3.34Å; E834-R836 VanDerWaalsContact C-N 3.3Å; E834-R836 PolarHBondContact O-N 2.89Å; E834-I837 WeakPolarHBondContact O-CB 3.41Å; E834-I837 PolarHBondContact O-N 3.45Å; E834-I837 VanDerWaalsContact O-N 3.12Å; E834-L838 HydrophobicContact CG-CD1 4.37Å; E834-L838 WeakPolarHBondContact O-CG 3.46Å; E834-L838 PolarHBondContact O-N 3.03Å |
| 835 | E | 89.9 | Confident | 88.2 | Confident | 85 Ų | 85 | 104.6 Ų | 104.6 | 40% | 0.397 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.2 | -42.2 | 175.6 | -73.7 | 175.1 | -172.6 | 0 | 0 | 111.9 | R831 V832 I837 L838 H839 | R831-E835 IonicContact NE-OE1 3.71Å; R831-E835 PolarHBondContact O-N 3.38Å; V832-E835 PolarHBondContact O-N 2.9Å; E835-I837 VanDerWaalsContact C-N 3.34Å; E835-I837 PolarHBondContact O-N 3.41Å; E835-L838 WeakPolarHBondContact O-CB 3.35Å; E835-L838 PolarHBondContact O-N 3.47Å; E835-H839 PolarHBondContact O-CD2 3.21Å; E835-H839 PolarHBondContact O-N 3.34Å |
| 836 | R | 88.8 | Confident | 87.6 | Confident | 142 Ų | 142 | 102.3 Ų | 102.3 | 54% | 0.536 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 176.6 | -169.9 | -176.9 | 78.7 | 177.7 | 1.7 | 111.4 | V832 Q833 E834 L838 H839 Q840 | V832-R836 WeakPolarHBondContact O-CB 3.22Å; V832-R836 PolarHBondContact O-N 3.35Å; Q833-R836 PolarHBondContact O-N 3.04Å; E834-R836 VanDerWaalsContact C-N 3.3Å; E834-R836 PolarHBondContact O-N 2.89Å; R836-L838 VanDerWaalsContact C-N 3.34Å; R836-H839 PolarHBondContact O-N 3.46Å; R836-Q840 HydrophobicContact CG-CG 4.44Å; R836-Q840 WeakPolarHBondContact O-CB 3.38Å; R836-Q840 VanDerWaalsContact O-CG 3.27Å; R836-Q840 WeakPolarHBondContact O-CG 3.24Å; R836-Q840 PolarHBondContact O-N 3.1Å |
| 837 | I | 91.1 | Very high | 86.9 | Confident | 98 Ų | 98 | 101 Ų | 101 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 176.4 | -68.2 | 163.6 | 0 | 0 | 0 | 109.9 | Q833 E834 E835 H839 Q840 Q841 | Q833-I837 HydrophobicContact CG-CD1 4.38Å; Q833-I837 WeakPolarHBondContact O-CD1 2.95Å; Q833-I837 VanDerWaalsContact O-CG1 3.26Å; Q833-I837 WeakPolarHBondContact O-CG1 3.48Å; Q833-I837 PolarHBondContact O-N 3.28Å; E834-I837 WeakPolarHBondContact O-CB 3.41Å; E834-I837 PolarHBondContact O-N 3.45Å; E834-I837 VanDerWaalsContact O-N 3.12Å; E835-I837 VanDerWaalsContact C-N 3.34Å; E835-I837 PolarHBondContact O-N 3.41Å; I837-H839 VanDerWaalsContact C-N 3.29Å; I837-H839 PolarHBondContact O-N 3.44Å; I837-Q840 PolarHBondContact O-N 3.4Å; I837-Q841 PolarHBondContact O-N 3.34Å; I837-Q841 VanDerWaalsContact O-N 3.08Å |
| 838 | L | 87.4 | Confident | 86 | Confident | 87 Ų | 87 | 106.3 Ų | 106.3 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.2 | -33.2 | 178 | -74.9 | 171.8 | 0 | 0 | 0 | 113.3 | E834 E835 R836 Q841 | E834-L838 HydrophobicContact CG-CD1 4.37Å; E834-L838 WeakPolarHBondContact O-CG 3.46Å; E834-L838 PolarHBondContact O-N 3.03Å; E835-L838 WeakPolarHBondContact O-CB 3.35Å; E835-L838 PolarHBondContact O-N 3.47Å; R836-L838 VanDerWaalsContact C-N 3.34Å; L838-Q841 VanDerWaalsContact CD2-NE2 3.28Å; L838-Q841 VanDerWaalsContact O-CG 3.22Å; L838-Q841 WeakPolarHBondContact O-CG 3.27Å; L838-Q841 PolarHBondContact O-NE2 2.88Å |
| 839 | H | 82.3 | Confident | 85.3 | Confident | 144 Ų | 144 | 109 Ų | 109 | 67% | 0.667 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -80.9 | -36.7 | 174.5 | -72.1 | -58.1 | 0 | 0 | 0 | 112.7 | E835 R836 I837 Q841 V842 | E835-H839 PolarHBondContact O-CD2 3.21Å; E835-H839 PolarHBondContact O-N 3.34Å; R836-H839 PolarHBondContact O-N 3.46Å; I837-H839 VanDerWaalsContact C-N 3.29Å; I837-H839 PolarHBondContact O-N 3.44Å; H839-Q841 VanDerWaalsContact C-N 3.29Å; H839-Q841 PolarHBondContact O-N 3.45Å; H839-V842 PolarHBondContact O-N 2.97Å |
| 840 | Q | 83.5 | Confident | 84.8 | Confident | 136 Ų | 136 | 106.2 Ų | 106.2 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.7 | -26.9 | 178.7 | -77.8 | 178.9 | -22.1 | 0 | 0 | 113.5 | R836 I837 V842 | R836-Q840 HydrophobicContact CG-CG 4.44Å; R836-Q840 WeakPolarHBondContact O-CB 3.38Å; R836-Q840 VanDerWaalsContact O-CG 3.27Å; R836-Q840 WeakPolarHBondContact O-CG 3.24Å; R836-Q840 PolarHBondContact O-N 3.1Å; I837-Q840 PolarHBondContact O-N 3.4Å; Q840-V842 PolarHBondContact O-N 3.17Å |
| 841 | Q | 81.9 | Confident | 84.3 | Confident | 127 Ų | 127 | 104.8 Ų | 104.8 | 59% | 0.593 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -18.1 | 177.3 | 79.6 | -166.4 | -32.7 | 0 | 0 | 113.4 | I837 L838 H839 K843 | I837-Q841 PolarHBondContact O-N 3.34Å; I837-Q841 VanDerWaalsContact O-N 3.08Å; L838-Q841 VanDerWaalsContact CD2-NE2 3.28Å; L838-Q841 VanDerWaalsContact O-CG 3.22Å; L838-Q841 WeakPolarHBondContact O-CG 3.27Å; L838-Q841 PolarHBondContact O-NE2 2.88Å; H839-Q841 VanDerWaalsContact C-N 3.29Å; H839-Q841 PolarHBondContact O-N 3.45Å; Q841-K843 PolarHBondContact O-N 2.94Å; Q841-K843 VanDerWaalsContact O-N 3.1Å |
| 842 | V | 78.3 | Confident | 83.8 | Confident | 72 Ų | 72 | 98 Ų | 98 | 44% | 0.436 | 48% | 0.479 | S | S | . | . | trans | -77.8 | 99.2 | -174.6 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | H839 Q840 | H839-V842 PolarHBondContact O-N 2.97Å; Q840-V842 PolarHBondContact O-N 3.17Å | ||
| 843 | K | 76.6 | Confident | 83.3 | Confident | 172 Ų | 172 | 99.8 Ų | 99.8 | 75% | 0.748 | 48% | 0.484 | S | S | * | . | trans | -103.7 | 143.5 | 174.8 | 67.6 | -172.9 | 177.8 | -176.9 | 0 | 112.2 | Q841 | Q841-K843 PolarHBondContact O-N 2.94Å; Q841-K843 VanDerWaalsContact O-N 3.1Å | ||
| 844 | C | 76.6 | Confident | 82.7 | Confident | 45 Ų | 45 | 99.4 Ų | 99.4 | 30% | 0.304 | 49% | 0.486 | S | S | . | . | trans | -115 | 116.7 | 171.6 | 175.1 | 0 | 0 | 0 | 0 | 109.5 | K850 V872 | C844-K850 PolarHBondContact SG-NZ 3.34Å; C844-K850 VanDerWaalsContact SG-NZ 3.38Å; C844-V872 VanDerWaalsContact SG-CG2 3.58Å | ||
| 845 | I | 80.4 | Confident | 82.1 | Confident | 112 Ų | 112 | 95.9 Ų | 95.9 | 57% | 0.574 | 48% | 0.475 | S | S | * | . | trans | -90.3 | 128.4 | 176.8 | -56.3 | 172.1 | 0 | 0 | 0 | 108.3 | T847 K850 | I845-T847 HydrophobicContact CG2-CG2 4.12Å; I845-K850 PolarHBondContact O-NZ 2.93Å | ||
| 846 | I | 79.7 | Confident | 81.8 | Confident | 47 Ų | 47 | 98.2 Ų | 98.2 | 24% | 0.241 | 48% | 0.484 | C | S | . | . | trans | -100.5 | 108.2 | 172.3 | -52.7 | -57.7 | 0 | 0 | 0 | 107.4 | K850 I859 F864 V872 | I846-K850 HydrophobicContact CD1-CD 3.95Å; I846-I859 HydrophobicContact CG2-CB 4.47Å; I846-I859 HydrophobicContact CG2-CG2 4.16Å; I846-F864 HydrophobicContact CD1-CD2 4.36Å; I846-F864 HydrophobicContact CD1-CE1 4.48Å; I846-F864 HydrophobicContact CD1-CE2 4.09Å; I846-F864 HydrophobicContact CD1-CZ 4.16Å; I846-F864 HydrophobicContact CG1-CD1 4.43Å; I846-F864 HydrophobicContact CG1-CE1 3.88Å; I846-F864 HydrophobicContact CG1-CE2 4.22Å; I846-F864 HydrophobicContact CG1-CZ 3.76Å; I846-V872 HydrophobicContact CD1-CB 4.41Å; I846-V872 HydrophobicContact CD1-CG1 3.86Å; I846-V872 HydrophobicContact CD1-CG2 3.98Å | ||
| 847 | T | 80.1 | Confident | 81.4 | Confident | 78 Ų | 78 | 98.6 Ų | 98.6 | 48% | 0.479 | 49% | 0.489 | S | S | . | . | trans | -93.1 | 161.8 | 174 | 55.8 | 0 | 0 | 0 | 0 | 110.2 | I845 E849 K850 | I845-T847 HydrophobicContact CG2-CG2 4.12Å; T847-E849 PolarHBondContact O-N 3.19Å; T847-E849 VanDerWaalsContact O-N 3.13Å; T847-K850 WeakPolarHBondContact O-CB 3.35Å; T847-K850 PolarHBondContact O-N 3.43Å | ||
| 848 | E | 76.2 | Confident | 81.1 | Confident | 169 Ų | 169 | 100.6 Ų | 100.6 | 79% | 0.79 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -20.1 | 179.3 | -64.3 | -174.5 | 173.5 | 0 | 0 | 113.7 | ||
| 849 | E | 78.6 | Confident | 81 | Confident | 162 Ų | 162 | 96.5 Ų | 96.5 | 76% | 0.757 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -9.5 | 177.8 | -60.6 | -176.4 | 171 | 0 | 0 | 113.2 | T847 V851 | T847-E849 PolarHBondContact O-N 3.19Å; T847-E849 VanDerWaalsContact O-N 3.13Å; E849-V851 PolarHBondContact O-N 2.99Å |
| 850 | K | 81.6 | Confident | 80.8 | Confident | 62 Ų | 62 | 91.2 Ų | 91.2 | 27% | 0.27 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -71 | 119.2 | -174 | -155.4 | 165.3 | -167.5 | 174.2 | 0 | 110.5 | C844 I845 I846 T847 I859 | C844-K850 PolarHBondContact SG-NZ 3.34Å; C844-K850 VanDerWaalsContact SG-NZ 3.38Å; I845-K850 PolarHBondContact O-NZ 2.93Å; I846-K850 HydrophobicContact CD1-CD 3.95Å; T847-K850 WeakPolarHBondContact O-CB 3.35Å; T847-K850 PolarHBondContact O-N 3.43Å; K850-I859 PolarHBondContact O-N 3.33Å |
| 851 | V | 84.8 | Confident | 80.6 | Confident | 59 Ų | 59 | 93.3 Ų | 93.3 | 36% | 0.358 | 47% | 0.473 | S | S | . | . | B | Isolated β-bridge | trans | -102.1 | 148.5 | -178.5 | -65 | 0 | 0 | 0 | 0 | 111.9 | E849 K857 K858 | E849-V851 PolarHBondContact O-N 2.99Å; V851-K857 CarbonylContact C-O 3.56Å; V851-K857 WeakPolarHBondContact CA-O 3.27Å; V851-K858 HydrophobicContact CG1-CG 4.17Å |
| 852 | C | 84.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 90.1 Ų | 90.1 | 0% | 0 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 130.4 | 169.8 | 171.4 | 0 | 0 | 0 | 0 | 109.9 | V854 K856 K857 I859 H874 | C852-V854 PolarHBondContact O-N 3.32Å; C852-V854 PolarHBondContact SG-N 2.96Å; C852-K856 WeakPolarHBondContact O-CA 3.32Å; C852-K856 PolarHBondContact O-N 2.73Å; C852-K857 PolarHBondContact N-O 3.49Å; C852-I859 HydrophobicContact CB-CG1 4.3Å; C852-H874 WeakPolarHBondContact CB-ND1 3.44Å; C852-H874 PolarHBondContact SG-N 2.93Å; C852-H874 VanDerWaalsContact SG-N 3.41Å |
| 853 | M | 80.2 | Confident | 80.8 | Confident | 109 Ų | 109 | 90.1 Ų | 90.1 | 54% | 0.537 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -20.6 | -178.1 | -70.6 | -63.6 | -93.6 | 0 | 0 | 114.2 | K856 V871 | M853-K856 WeakPolarHBondContact O-CE 3.36Å; M853-K856 PolarHBondContact O-NZ 3.3Å; M853-V871 HydrophobicContact CB-CG1 4.13Å; M853-V871 HydrophobicContact CG-CG1 3.77Å |
| 854 | V | 81.6 | Confident | 81.3 | Confident | 59 Ų | 59 | 86.6 Ų | 86.6 | 36% | 0.358 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -62.4 | -178.7 | -174.8 | 0 | 0 | 0 | 0 | 110.9 | C852 V873 C877 V881 | C852-V854 PolarHBondContact O-N 3.32Å; C852-V854 PolarHBondContact SG-N 2.96Å; V854-V873 HydrophobicContact CG2-CG1 3.89Å; V854-C877 HydrophobicContact CB-CB 3.83Å; V854-C877 HydrophobicContact CG1-CB 4.07Å; V854-C877 HydrophobicContact CG2-CB 4.08Å; V854-V881 HydrophobicContact CG1-CG2 4.37Å; V854-V881 HydrophobicContact CG2-CG2 3.36Å |
| 855 | C | 80.3 | Confident | 81.7 | Confident | 49 Ų | 49 | 85.7 Ų | 85.7 | 33% | 0.331 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -4.6 | -175.4 | 73.1 | 0 | 0 | 0 | 0 | 114.2 | K857 H874 | C855-K857 PolarHBondContact O-N 3.27Å; C855-H874 PolarHBondContact SG-ND1 3.26Å |
| 856 | K | 82.8 | Confident | 81.8 | Confident | 134 Ų | 134 | 85.4 Ų | 85.4 | 58% | 0.583 | 44% | 0.444 | S | S | * | . | trans | 57 | 11.4 | -177.2 | -54.1 | -57.6 | -169.7 | -163.3 | 0 | 115.6 | C852 M853 | C852-K856 WeakPolarHBondContact O-CA 3.32Å; C852-K856 PolarHBondContact O-N 2.73Å; M853-K856 WeakPolarHBondContact O-CE 3.36Å; M853-K856 PolarHBondContact O-NZ 3.3Å | ||
| 857 | K | 81.6 | Confident | 81.9 | Confident | 149 Ų | 149 | 85.4 Ų | 85.4 | 65% | 0.648 | 44% | 0.442 | S | S | * | . | trans | -85.2 | 152.1 | 174.1 | -64.1 | 179.8 | -178.5 | 177.1 | 0 | 111.2 | V851 C852 C855 | V851-K857 CarbonylContact C-O 3.56Å; V851-K857 WeakPolarHBondContact CA-O 3.27Å; C852-K857 PolarHBondContact N-O 3.49Å; C855-K857 PolarHBondContact O-N 3.27Å | ||
| 858 | K | 85.2 | Confident | 81.6 | Confident | 140 Ų | 140 | 88 Ų | 88 | 61% | 0.609 | 46% | 0.46 | S | S | * | . | B | Isolated β-bridge | trans | -60.6 | 139.3 | 175 | -65.4 | -178 | 175.5 | -169.3 | 0 | 110.7 | V851 H874 | V851-K858 HydrophobicContact CG1-CG 4.17Å; K858-H874 PolarHBondContact O-CE1 3.31Å; K858-H874 PolarHBondContact O-NE2 3.23Å |
| 859 | I | 83.7 | Confident | 81.6 | Confident | 1 Ų | 1 | 83.8 Ų | 83.8 | 1% | 0.005 | 44% | 0.443 | C | S | . | . | trans | -75.8 | -50 | 178.5 | -64.7 | -172 | 0 | 0 | 0 | 110.4 | I846 K850 C852 N861 S862 F864 V872 | I846-I859 HydrophobicContact CG2-CB 4.47Å; I846-I859 HydrophobicContact CG2-CG2 4.16Å; K850-I859 PolarHBondContact O-N 3.33Å; C852-I859 HydrophobicContact CB-CG1 4.3Å; I859-N861 PolarHBondContact O-N 3.21Å; I859-S862 WeakPolarHBondContact O-CB 3.37Å; I859-S862 PolarHBondContact O-N 2.89Å; I859-S862 PolarHBondContact O-OG 3.37Å; I859-F864 HydrophobicContact CD1-CB 4.44Å; I859-F864 HydrophobicContact CG2-CB 3.83Å; I859-F864 HydrophobicContact CG2-CD1 4.19Å; I859-F864 HydrophobicContact CG2-CG 4.28Å; I859-V872 HydrophobicContact CD1-CB 3.86Å; I859-V872 HydrophobicContact CD1-CG1 3.4Å; I859-V872 VanDerWaalsContact CD1-CG1 3.4Å | ||
| 860 | G | 78.6 | Confident | 81.4 | Confident | 34 Ų | 34 | 77.5 Ų | 77.5 | 35% | 0.351 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | -129.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S862 | G860-S862 VanDerWaalsContact C-N 3.3Å; G860-S862 PolarHBondContact O-N 3.31Å |
| 861 | N | 79.3 | Confident | 81.5 | Confident | 180 Ų | 180 | 76.6 Ų | 76.6 | 96% | 0.963 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 8.9 | 178.7 | -64.8 | -15.4 | 0 | 0 | 0 | 114 | I859 | I859-N861 PolarHBondContact O-N 3.21Š|
| 862 | S | 81.2 | Confident | 81.5 | Confident | 60 Ų | 60 | 74 Ų | 74 | 42% | 0.42 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -76.3 | 149.2 | -178.5 | -50.6 | 0 | 0 | 0 | 0 | 111.1 | I859 G860 F864 | I859-S862 WeakPolarHBondContact O-CB 3.37Å; I859-S862 PolarHBondContact O-N 2.89Å; I859-S862 PolarHBondContact O-OG 3.37Å; G860-S862 VanDerWaalsContact C-N 3.3Å; G860-S862 PolarHBondContact O-N 3.31Å; S862-F864 PolarHBondContact O-N 3.2Å |
| 863 | A | 83.6 | Confident | 81.6 | Confident | 72 Ų | 72 | 74.1 Ų | 74.1 | 60% | 0.595 | 41% | 0.406 | S | S | * | . | trans | -57.5 | 130.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y875 | A863-Y875 PolarHBondContact O-N 3.1Š| ||
| 864 | F | 86.1 | Confident | 81.9 | Confident | 98 Ų | 98 | 70.2 Ų | 70.2 | 43% | 0.43 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 157.8 | -175.9 | 68.2 | -94.1 | 0 | 0 | 0 | 111.6 | I846 I859 S862 V872 V873 | I846-F864 HydrophobicContact CD1-CD2 4.36Å; I846-F864 HydrophobicContact CD1-CE1 4.48Å; I846-F864 HydrophobicContact CD1-CE2 4.09Å; I846-F864 HydrophobicContact CD1-CZ 4.16Å; I846-F864 HydrophobicContact CG1-CD1 4.43Å; I846-F864 HydrophobicContact CG1-CE1 3.88Å; I846-F864 HydrophobicContact CG1-CE2 4.22Å; I846-F864 HydrophobicContact CG1-CZ 3.76Å; I859-F864 HydrophobicContact CD1-CB 4.44Å; I859-F864 HydrophobicContact CG2-CB 3.83Å; I859-F864 HydrophobicContact CG2-CD1 4.19Å; I859-F864 HydrophobicContact CG2-CG 4.28Å; S862-F864 PolarHBondContact O-N 3.2Å; F864-V872 HydrophobicContact CB-CG1 3.86Å; F864-V872 HydrophobicContact CD2-CG1 3.49Å; F864-V872 VanDerWaalsContact CD2-CG1 3.49Å; F864-V872 HydrophobicContact CE2-CG1 4.31Å; F864-V872 HydrophobicContact CG-CG1 3.91Å; F864-V873 CarbonylContact C-O 3.58Å; F864-V873 VanDerWaalsContact CA-O 3.23Å; F864-V873 WeakPolarHBondContact CA-O 3.33Å; F864-V873 WeakPolarHBondContact CB-O 3.48Å |
| 865 | A | 85.4 | Confident | 82 | Confident | 26 Ų | 26 | 73.5 Ų | 73.5 | 22% | 0.215 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 145.7 | 170 | 0 | 0 | 0 | 0 | 0 | 109.4 | V872 V873 | A865-V872 WeakPolarHBondContact O-CA 3.23Å; A865-V873 HydrophobicContact CB-CG2 4.17Å; A865-V873 PolarHBondContact N-O 3.44Å; A865-V873 PolarHBondContact O-N 3.16Å |
| 866 | R | 83.1 | Confident | 82 | Confident | 105 Ų | 105 | 78.6 Ų | 78.6 | 40% | 0.396 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 126 | 176.8 | 178.4 | -174.7 | 175.5 | -139.7 | -5.6 | 109.6 | V871 | R866-V871 WeakPolarHBondContact CA-O 3.33Å |
| 867 | Y | 81.1 | Confident | 81.8 | Confident | 47 Ų | 47 | 73 Ų | 73 | 18% | 0.184 | 39% | 0.387 | C | S | . | . | trans | -80.6 | 157 | 173 | -71.6 | -69.2 | 0 | 0 | 0 | 111.9 | N869 G870 V871 V873 S878 | Y867-N869 VanDerWaalsContact CB-OD1 3.26Å; Y867-N869 WeakPolarHBondContact CB-OD1 3.32Å; Y867-N869 PolarHBondContact O-N 2.68Å; Y867-N869 VanDerWaalsContact O-N 3.15Å; Y867-G870 PolarHBondContact O-N 3.17Å; Y867-V871 PolarHBondContact N-O 3.01Å; Y867-V873 HydrophobicContact CD2-CG1 4.5Å; Y867-V873 HydrophobicContact CD2-CG2 4.34Å; Y867-V873 HydrophobicContact CE2-CG1 4.08Å; Y867-V873 HydrophobicContact CE2-CG2 3.68Å; Y867-S878 PolarHBondContact OH-O 3.29Å | ||
| 868 | P | 74 | Confident | 81.7 | Confident | 134 Ų | 134 | 67.1 Ų | 67.1 | 87% | 0.87 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -31.7 | 179.8 | -27 | 35.5 | 0 | 0 | 0 | 114.2 | G870 | P868-G870 PolarHBondContact O-N 3.15Š|
| 869 | N | 76.1 | Confident | 81 | Confident | 80 Ų | 80 | 67.3 Ų | 67.3 | 43% | 0.428 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -1.3 | 175.1 | 64.8 | 8.3 | 0 | 0 | 0 | 114.3 | Y867 V871 T886 | Y867-N869 VanDerWaalsContact CB-OD1 3.26Å; Y867-N869 WeakPolarHBondContact CB-OD1 3.32Å; Y867-N869 PolarHBondContact O-N 2.68Å; Y867-N869 VanDerWaalsContact O-N 3.15Å; N869-V871 WeakPolarHBondContact OD1-CB 3.26Å; N869-V871 WeakPolarHBondContact OD1-CG2 3.47Å; N869-V871 PolarHBondContact OD1-N 3.36Å; N869-V871 VanDerWaalsContact OD1-N 3.11Å; N869-T886 PolarHBondContact ND2-OXT 3.1Å; N869-T886 VanDerWaalsContact ND2-OXT 3.07Å |
| 870 | G | 75.8 | Confident | 79.9 | Confident | 29 Ų | 29 | 74.7 Ų | 74.7 | 30% | 0.299 | 40% | 0.401 | S | S | . | . | S | Bend | trans | 91.9 | -2.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y867 P868 | Y867-G870 PolarHBondContact O-N 3.17Å; P868-G870 PolarHBondContact O-N 3.15Å |
| 871 | V | 82.4 | Confident | 78.8 | Confident | 43 Ų | 43 | 74.8 Ų | 74.8 | 26% | 0.261 | 39% | 0.394 | S | S | . | . | trans | -71.3 | 137 | 177.5 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | M853 R866 Y867 N869 V873 | M853-V871 HydrophobicContact CB-CG1 4.13Å; M853-V871 HydrophobicContact CG-CG1 3.77Å; R866-V871 WeakPolarHBondContact CA-O 3.33Å; Y867-V871 PolarHBondContact N-O 3.01Å; N869-V871 WeakPolarHBondContact OD1-CB 3.26Å; N869-V871 WeakPolarHBondContact OD1-CG2 3.47Å; N869-V871 PolarHBondContact OD1-N 3.36Å; N869-V871 VanDerWaalsContact OD1-N 3.11Å; V871-V873 HydrophobicContact CG1-CG1 4.25Å | ||
| 872 | V | 84.4 | Confident | 77.7 | Confident | 6 Ų | 6 | 71.6 Ų | 71.6 | 4% | 0.036 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 131.3 | 178.7 | -166 | 0 | 0 | 0 | 0 | 109.9 | C844 I846 I859 F864 A865 | C844-V872 VanDerWaalsContact SG-CG2 3.58Å; I846-V872 HydrophobicContact CD1-CB 4.41Å; I846-V872 HydrophobicContact CD1-CG1 3.86Å; I846-V872 HydrophobicContact CD1-CG2 3.98Å; I859-V872 HydrophobicContact CD1-CB 3.86Å; I859-V872 HydrophobicContact CD1-CG1 3.4Å; I859-V872 VanDerWaalsContact CD1-CG1 3.4Å; F864-V872 HydrophobicContact CB-CG1 3.86Å; F864-V872 HydrophobicContact CD2-CG1 3.49Å; F864-V872 VanDerWaalsContact CD2-CG1 3.49Å; F864-V872 HydrophobicContact CE2-CG1 4.31Å; F864-V872 HydrophobicContact CG-CG1 3.91Å; A865-V872 WeakPolarHBondContact O-CA 3.23Å |
| 873 | V | 86.6 | Confident | 76.3 | Confident | 2 Ų | 2 | 74 Ų | 74 | 1% | 0.012 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 158.7 | 178.3 | -62.5 | 0 | 0 | 0 | 0 | 110.4 | V854 F864 A865 Y867 V871 C877 | V854-V873 HydrophobicContact CG2-CG1 3.89Å; F864-V873 CarbonylContact C-O 3.58Å; F864-V873 VanDerWaalsContact CA-O 3.23Å; F864-V873 WeakPolarHBondContact CA-O 3.33Å; F864-V873 WeakPolarHBondContact CB-O 3.48Å; A865-V873 HydrophobicContact CB-CG2 4.17Å; A865-V873 PolarHBondContact N-O 3.44Å; A865-V873 PolarHBondContact O-N 3.16Å; Y867-V873 HydrophobicContact CD2-CG1 4.5Å; Y867-V873 HydrophobicContact CD2-CG2 4.34Å; Y867-V873 HydrophobicContact CE2-CG1 4.08Å; Y867-V873 HydrophobicContact CE2-CG2 3.68Å; V871-V873 HydrophobicContact CG1-CG1 4.25Å; V873-C877 HydrophobicContact CB-CB 4.44Å |
| 874 | H | 86.8 | Confident | 74.6 | Confident | 26 Ų | 26 | 74.7 Ų | 74.7 | 12% | 0.12 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 147.2 | 167.4 | -70.5 | 113 | 0 | 0 | 0 | 110 | C852 C855 K858 F876 C877 S878 | C852-H874 WeakPolarHBondContact CB-ND1 3.44Å; C852-H874 PolarHBondContact SG-N 2.93Å; C852-H874 VanDerWaalsContact SG-N 3.41Å; C855-H874 PolarHBondContact SG-ND1 3.26Å; K858-H874 PolarHBondContact O-CE1 3.31Å; K858-H874 PolarHBondContact O-NE2 3.23Å; H874-F876 PolarHBondContact O-N 3.29Å; H874-C877 HydrophobicContact CB-CB 4.22Å; H874-C877 PolarHBondContact O-N 3Å; H874-S878 PolarHBondContact O-N 3.03Å |
| 875 | Y | 83.8 | Confident | 73 | Confident | 128 Ų | 128 | 76.7 Ų | 76.7 | 50% | 0.502 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -39.4 | -179.4 | -177.6 | -107.6 | 0 | 0 | 0 | 112.4 | A863 S878 | A863-Y875 PolarHBondContact O-N 3.1Å; Y875-S878 WeakPolarHBondContact O-CB 3.48Å; Y875-S878 PolarHBondContact O-N 2.94Å; Y875-S878 PolarHBondContact O-OG 2.9Å |
| 876 | F | 81.3 | Confident | 71.2 | Confident | 156 Ų | 156 | 80.3 Ų | 80.3 | 68% | 0.684 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -39.8 | 176.5 | -122.3 | -89.8 | 0 | 0 | 0 | 113 | H874 S878 K879 | H874-F876 PolarHBondContact O-N 3.29Å; F876-S878 PolarHBondContact O-N 3.22Å; F876-K879 PolarHBondContact O-N 2.91Å |
| 877 | C | 78.9 | Confident | 70.6 | Confident | 16 Ų | 16 | 79.1 Ų | 79.1 | 11% | 0.108 | 43% | 0.434 | C | S | . | . | G | 310 helix | trans | -69.1 | -16.7 | 176.5 | -63.6 | 0 | 0 | 0 | 0 | 113.4 | V854 V873 H874 K879 V881 | V854-C877 HydrophobicContact CB-CB 3.83Å; V854-C877 HydrophobicContact CG1-CB 4.07Å; V854-C877 HydrophobicContact CG2-CB 4.08Å; V873-C877 HydrophobicContact CB-CB 4.44Å; H874-C877 HydrophobicContact CB-CB 4.22Å; H874-C877 PolarHBondContact O-N 3Å; C877-K879 PolarHBondContact O-N 3.12Å; C877-V881 WeakPolarHBondContact O-CG2 3.26Å |
| 878 | S | 78 | Confident | 70.1 | Confident | 27 Ų | 27 | 80.7 Ų | 80.7 | 19% | 0.189 | 45% | 0.447 | C | S | . | . | G | 310 helix | trans | -67.9 | -20.6 | 173.8 | 75 | 0 | 0 | 0 | 0 | 113.2 | Y867 H874 Y875 F876 | Y867-S878 PolarHBondContact OH-O 3.29Å; H874-S878 PolarHBondContact O-N 3.03Å; Y875-S878 WeakPolarHBondContact O-CB 3.48Å; Y875-S878 PolarHBondContact O-N 2.94Å; Y875-S878 PolarHBondContact O-OG 2.9Å; F876-S878 PolarHBondContact O-N 3.22Å |
| 879 | K | 70.3 | Confident | 69.9 | Low | 143 Ų | 143 | 77.8 Ų | 77.8 | 62% | 0.622 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -87.7 | -17.3 | -178.9 | -62.8 | -174.2 | 177.2 | -174.6 | 0 | 113.9 | F876 C877 | F876-K879 PolarHBondContact O-N 2.91Å; C877-K879 PolarHBondContact O-N 3.12Å |
| 880 | E | 60.4 | Low | 69.5 | Low | 156 Ų | 156 | 77.6 Ų | 77.6 | 73% | 0.729 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -98.1 | -4.3 | -178.1 | -67.9 | -174.6 | 167.5 | 0 | 0 | 113.1 | ||
| 881 | V | 57.1 | Low | 69.1 | Low | 36 Ų | 36 | 80.7 Ų | 80.7 | 22% | 0.218 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -96.8 | 119.2 | 177.2 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | V854 C877 T886 | V854-V881 HydrophobicContact CG1-CG2 4.37Å; V854-V881 HydrophobicContact CG2-CG2 3.36Å; C877-V881 WeakPolarHBondContact O-CG2 3.26Å; V881-T886 HydrophobicContact CG1-CG2 4.38Å |
| 882 | N | 54.8 | Low | 68.2 | Low | 114 Ų | 114 | 83.2 Ų | 83.2 | 61% | 0.61 | 44% | 0.442 | S | S | * | . | trans | -65.3 | 130.6 | 172.6 | -136.4 | -3.5 | 0 | 0 | 0 | 108.3 | A884 D885 | N882-A884 PolarHBondContact O-N 3.06Å; N882-D885 PolarHBondContact O-N 3.08Å | ||
| 883 | P | 51.8 | Low | 67.1 | Low | 109 Ų | 109 | 88.7 Ų | 88.7 | 71% | 0.708 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -2.9 | -176.6 | 23.7 | -32.7 | 0 | 0 | 0 | 114.3 | ||
| 884 | A | 49.3 | Very low | 65.6 | Low | 88 Ų | 88 | 95.4 Ų | 95.4 | 73% | 0.727 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -10 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | N882 | N882-A884 PolarHBondContact O-N 3.06Š|
| 885 | D | 52.3 | Low | 63.8 | Low | 139 Ų | 139 | 101.2 Ų | 101.2 | 74% | 0.743 | 54% | 0.539 | S | S | * | . | trans | -106.7 | 20.3 | -179 | -76 | -34 | 0 | 0 | 0 | 114.3 | N882 | N882-D885 PolarHBondContact O-N 3.08Š| ||
| 886 | T | 47.6 | Very low | 62 | Low | 102 Ų | 102 | 98.7 Ų | 98.7 | 63% | 0.626 | 54% | 0.542 | S | S | * | . | trans | -142.1 | 0 | 177.2 | 50.3 | 0 | 0 | 0 | 0 | 115.9 | N869 V881 | N869-T886 PolarHBondContact ND2-OXT 3.1Å; N869-T886 VanDerWaalsContact ND2-OXT 3.07Å; V881-T886 HydrophobicContact CG1-CG2 4.38Å |
Retrieved 886 of 886 residues in 1442.7 ms
(Link to these results)